smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cnn(C[C@H](NC2CSCCSC2)c2ccccc2)c1 ZINC000820424926 1091625814 /nfs/dbraw/zinc/62/58/14/1091625814.db2.gz RRKUDYIBNWTNBT-INIZCTEOSA-N 0 3 319.499 3.063 50 0 DGAAHN CC(C)(CN[C@@H](c1ccco1)c1ccccc1)N1CCOCC1 ZINC000192910676 1096526611 /nfs/dbraw/zinc/52/66/11/1096526611.db2.gz QVGSWCOGXMWZFR-GOSISDBHSA-N 0 3 314.429 3.069 50 0 DGAAHN c1csc(CN2CCC(CNc3nnc(C4CC4)o3)CC2)c1 ZINC000278450494 214161111 /nfs/dbraw/zinc/16/11/11/214161111.db2.gz RPHYXSZOFDLVCG-UHFFFAOYSA-N 0 3 318.446 3.333 50 0 DGAAHN COc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)nnn3C)cc1 ZINC000079105530 185158946 /nfs/dbraw/zinc/15/89/46/185158946.db2.gz KJUFAVFZTUHBHJ-SFHVURJKSA-N 0 3 322.412 3.314 50 0 DGAAHN CCC(=O)N[C@H]1CCCN(Cc2cc(C)nc3ccccc23)C1 ZINC000079309168 185164347 /nfs/dbraw/zinc/16/43/47/185164347.db2.gz NFZNMQUIPWBASU-INIZCTEOSA-N 0 3 311.429 3.034 50 0 DGAAHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1 ZINC000089948963 185270730 /nfs/dbraw/zinc/27/07/30/185270730.db2.gz VZBIYSRSXNVHFT-BXUZGUMPSA-N 0 3 310.825 3.060 50 0 DGAAHN Cn1ccnc1[C@H]1CCCN(CCCOc2ccc(F)cc2)C1 ZINC000082086781 192354383 /nfs/dbraw/zinc/35/43/83/192354383.db2.gz YALTUKOCOLSOTQ-HNNXBMFYSA-N 0 3 317.408 3.208 50 0 DGAAHN CN(C)[C@H]1CCCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000082106420 192356721 /nfs/dbraw/zinc/35/67/21/192356721.db2.gz QNFAMSBHZNISFH-HNNXBMFYSA-N 0 3 318.465 3.014 50 0 DGAAHN Cc1cc(CN(C)CCC2CCN(c3ccncc3)CC2)no1 ZINC000092821443 185343932 /nfs/dbraw/zinc/34/39/32/185343932.db2.gz KHARHGKUSHEWIO-UHFFFAOYSA-N 0 3 314.433 3.117 50 0 DGAAHN CN(CCC1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000092821471 185344031 /nfs/dbraw/zinc/34/40/31/185344031.db2.gz ANLKWQINUMAMQQ-UHFFFAOYSA-N 0 3 301.356 3.182 50 0 DGAAHN C[C@H](CC[C@H]1CCCO1)NCc1cccc2c1OCCCO2 ZINC000095393609 185352137 /nfs/dbraw/zinc/35/21/37/185352137.db2.gz YPKWTKUVHDVFOP-GDBMZVCRSA-N 0 3 305.418 3.285 50 0 DGAAHN COC[C@@H](NCc1cccc(NC(=O)C2CCCC2)c1)C1CC1 ZINC000095420595 185360050 /nfs/dbraw/zinc/36/00/50/185360050.db2.gz AQPQFNISEDXAGV-GOSISDBHSA-N 0 3 316.445 3.330 50 0 DGAAHN COC[C@H](NCc1cccc(NC(=O)C2CCCC2)c1)C1CC1 ZINC000095420594 185360052 /nfs/dbraw/zinc/36/00/52/185360052.db2.gz AQPQFNISEDXAGV-SFHVURJKSA-N 0 3 316.445 3.330 50 0 DGAAHN CCC(=O)N1CC[C@H](N[C@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423904 185361246 /nfs/dbraw/zinc/36/12/46/185361246.db2.gz CDYGFJSTHIBSMY-RDJZCZTQSA-N 0 3 316.445 3.118 50 0 DGAAHN Cc1c(F)cccc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000095467135 185372037 /nfs/dbraw/zinc/37/20/37/185372037.db2.gz UCFMFMMHAZYJHV-CYBMUJFWSA-N 0 3 307.413 3.328 50 0 DGAAHN CC(C)[C@@H]1C[C@@H](CNC(=O)C2CCN(C)CC2)c2ccccc21 ZINC000279867762 215191486 /nfs/dbraw/zinc/19/14/86/215191486.db2.gz SQAMWJFQYIANEI-LPHOPBHVSA-N 0 3 314.473 3.372 50 0 DGAAHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1C1CCCCC1 ZINC000080391807 192155259 /nfs/dbraw/zinc/15/52/59/192155259.db2.gz XGDNZNFOYSSSAB-UHFFFAOYSA-N 0 3 305.466 3.244 50 0 DGAAHN CCc1ccc(CN2CCC3(CC2)c2ccccc2NC3=O)nc1 ZINC000072159352 191062403 /nfs/dbraw/zinc/06/24/03/191062403.db2.gz WEDRJDRHVAWNNE-UHFFFAOYSA-N 0 3 321.424 3.130 50 0 DGAAHN c1cc([C@H]2CCCN(CCCc3nc4ccccc4o3)C2)n[nH]1 ZINC000072272647 191096133 /nfs/dbraw/zinc/09/61/33/191096133.db2.gz MHHFXUQUQHYFOX-AWEZNQCLSA-N 0 3 310.401 3.363 50 0 DGAAHN Cc1[nH]cnc1-c1nccn1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072426894 191162102 /nfs/dbraw/zinc/16/21/02/191162102.db2.gz ZCQCJRRSVSIFLY-KRWDZBQOSA-N 0 3 321.428 3.419 50 0 DGAAHN c1csc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000072473857 191178112 /nfs/dbraw/zinc/17/81/12/191178112.db2.gz WWKQGQMSVASUBV-GOSISDBHSA-N 0 3 312.482 3.423 50 0 DGAAHN Fc1ccccc1CN1CCCN(c2ccc3cc[nH]c3n2)CC1 ZINC000072478976 191179146 /nfs/dbraw/zinc/17/91/46/191179146.db2.gz VONBBFCRCNTEMG-UHFFFAOYSA-N 0 3 324.403 3.414 50 0 DGAAHN CCCCN1CCN(Cc2nc(-c3ccco3)oc2C)CC1 ZINC000067739417 432037393 /nfs/dbraw/zinc/03/73/93/432037393.db2.gz GYLABAANJXSGKO-UHFFFAOYSA-N 0 3 303.406 3.161 50 0 DGAAHN Cc1cccc(Cc2cnc(N3C(=N)SC(C)C3=O)s2)c1 ZINC000004384918 181105107 /nfs/dbraw/zinc/10/51/07/181105107.db2.gz MHFJPGDMYSQGCH-JTQLQIEISA-N 0 3 317.439 3.445 50 0 DGAAHN CC(=O)NC[C@@H]1CCN(Cc2cccc(-c3ccc(C)o3)c2)C1 ZINC000067770744 432039513 /nfs/dbraw/zinc/03/95/13/432039513.db2.gz UELPZGNJGPUYRI-KRWDZBQOSA-N 0 3 312.413 3.213 50 0 DGAAHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCCC1 ZINC000004746289 181146753 /nfs/dbraw/zinc/14/67/53/181146753.db2.gz NXQACWRWSZGMQE-MRXNPFEDSA-N 0 3 304.409 3.050 50 0 DGAAHN O[C@H](COc1ccc([C@H]2C=CCC2)cc1)CN1CCCCC1 ZINC000004819730 181156634 /nfs/dbraw/zinc/15/66/34/181156634.db2.gz OOORMPLAZXXCBH-WMZOPIPTSA-N 0 3 301.430 3.346 50 0 DGAAHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C)CC1 ZINC000004841528 181161047 /nfs/dbraw/zinc/16/10/47/181161047.db2.gz WTULCSQPNWCGNL-UHFFFAOYSA-N 0 3 305.418 3.399 50 0 DGAAHN COc1cccc(OC)c1OC[C@H](C)CNCc1ccco1 ZINC000004833514 181159453 /nfs/dbraw/zinc/15/94/53/181159453.db2.gz JBVSJKDSDONGIE-CYBMUJFWSA-N 0 3 305.374 3.102 50 0 DGAAHN CCOc1cc(C=O)ccc1OCCCN1CCC[C@@H](C)C1 ZINC000004869111 181166315 /nfs/dbraw/zinc/16/63/15/181166315.db2.gz AGPIFENIQPORQN-OAHLLOKOSA-N 0 3 305.418 3.399 50 0 DGAAHN CC[C@H](CO)NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942941 181176841 /nfs/dbraw/zinc/17/68/41/181176841.db2.gz ONNAIERJZHZLFX-GFCCVEGCSA-N 0 3 309.793 3.469 50 0 DGAAHN CCS[C@@H]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000236893212 202057094 /nfs/dbraw/zinc/05/70/94/202057094.db2.gz BBAAIUQOKDURTP-ARFHVFGLSA-N 0 3 306.475 3.209 50 0 DGAAHN Cc1cncc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000189883496 432099519 /nfs/dbraw/zinc/09/95/19/432099519.db2.gz OGXVMJNUUBDDBI-IBGZPJMESA-N 0 3 314.404 3.475 50 0 DGAAHN Cc1ccc([C@@H](CNC(=O)Nc2ncccc2C)N(C)C)cc1 ZINC000195254141 201368166 /nfs/dbraw/zinc/36/81/66/201368166.db2.gz ZYLWAWNKENHGHM-MRXNPFEDSA-N 0 3 312.417 3.123 50 0 DGAAHN CS[C@@H]1CCC[C@@H]1N(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000195531583 201399677 /nfs/dbraw/zinc/39/96/77/201399677.db2.gz JFAKIHSRALTZPJ-SGMGOOAPSA-N 0 3 312.504 3.141 50 0 DGAAHN Cc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000006699367 181372252 /nfs/dbraw/zinc/37/22/52/181372252.db2.gz OCTWJKVOKNQUSO-UHFFFAOYSA-N 0 3 322.452 3.318 50 0 DGAAHN Cc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000006725371 181377267 /nfs/dbraw/zinc/37/72/67/181377267.db2.gz WJMWHVGJTOYZJI-UHFFFAOYSA-N 0 3 322.452 3.318 50 0 DGAAHN COCCC[C@]1(CO)CCCN(Cc2cc(C)ccc2F)C1 ZINC000091326500 193040147 /nfs/dbraw/zinc/04/01/47/193040147.db2.gz IYFFTTGLVDVSFU-GOSISDBHSA-N 0 3 309.425 3.135 50 0 DGAAHN COc1ccccc1[C@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1 ZINC000091344098 193043157 /nfs/dbraw/zinc/04/31/57/193043157.db2.gz AKEWYXYTFMEQLO-DNVCBOLYSA-N 0 3 316.445 3.137 50 0 DGAAHN CCn1ccnc1[C@H]1CCCN(CCOCc2ccccc2)C1 ZINC000091595770 193078305 /nfs/dbraw/zinc/07/83/05/193078305.db2.gz DSRZEPWBWYSBBR-SFHVURJKSA-N 0 3 313.445 3.299 50 0 DGAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000091462388 193059709 /nfs/dbraw/zinc/05/97/09/193059709.db2.gz RZKORICPXCHTMV-OAHLLOKOSA-N 0 3 311.429 3.013 50 0 DGAAHN c1cn(Cc2cccnc2)c(C2CCN(c3ccncc3)CC2)n1 ZINC000091644843 193084061 /nfs/dbraw/zinc/08/40/61/193084061.db2.gz HFYFZLJQXQKRHD-UHFFFAOYSA-N 0 3 319.412 3.105 50 0 DGAAHN CCc1nccn1[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000106213254 284043707 /nfs/dbraw/zinc/04/37/07/284043707.db2.gz SJAQXDTYFUYVQU-INIZCTEOSA-N 0 3 317.408 3.301 50 0 DGAAHN CCc1nccn1[C@H]1CCCN(CCOc2cccc(C)c2)C1 ZINC000106216968 284043863 /nfs/dbraw/zinc/04/38/63/284043863.db2.gz MVGRJICQDGBWMJ-KRWDZBQOSA-N 0 3 313.445 3.470 50 0 DGAAHN NC(=O)C[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000093808581 193310487 /nfs/dbraw/zinc/31/04/87/193310487.db2.gz WCZMAMGDVRGVNP-INIZCTEOSA-N 0 3 316.445 3.095 50 0 DGAAHN CC(C)[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000015549948 182006232 /nfs/dbraw/zinc/00/62/32/182006232.db2.gz SOILOFKVPKDXSH-IBGZPJMESA-N 0 3 307.397 3.181 50 0 DGAAHN COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000015564728 182006606 /nfs/dbraw/zinc/00/66/06/182006606.db2.gz POIONHQKOPCRBY-UHFFFAOYSA-N 0 3 324.424 3.090 50 0 DGAAHN CN1CCCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000018055412 182091079 /nfs/dbraw/zinc/09/10/79/182091079.db2.gz LQCRTISVDJYDJJ-UHFFFAOYSA-N 0 3 318.424 3.439 50 0 DGAAHN Cc1cc(C)c2c(CN(C)C[C@@H]3COCCO3)cc(C)nc2c1 ZINC000019228795 182109212 /nfs/dbraw/zinc/10/92/12/182109212.db2.gz OZHZBMUAPNWEOW-QGZVFWFLSA-N 0 3 314.429 3.007 50 0 DGAAHN OCC[C@H]1CN(Cc2ccccc2Cl)CCN1C1CCCC1 ZINC000019839518 182155882 /nfs/dbraw/zinc/15/58/82/182155882.db2.gz SCIRZORKABSFBK-KRWDZBQOSA-N 0 3 322.880 3.151 50 0 DGAAHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000020352898 182210291 /nfs/dbraw/zinc/21/02/91/182210291.db2.gz UUOJSDUPUJCNKE-UHFFFAOYSA-N 0 3 314.454 3.451 50 0 DGAAHN COc1ccc(CNC[C@H]2OCCc3ccccc32)cc1OC ZINC000020500947 182224796 /nfs/dbraw/zinc/22/47/96/182224796.db2.gz OIQGGLZZLZQOQM-LJQANCHMSA-N 0 3 313.397 3.107 50 0 DGAAHN Cc1ccccc1CN1CCN(C2CCCCC2)C[C@@H]1CCO ZINC000022852448 182337391 /nfs/dbraw/zinc/33/73/91/182337391.db2.gz NDHCZVOYFYRIFE-FQEVSTJZSA-N 0 3 316.489 3.196 50 0 DGAAHN CC(C)(C)SCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000023155497 182352234 /nfs/dbraw/zinc/35/22/34/182352234.db2.gz NGHPIHKCKGHWMD-UHFFFAOYSA-N 0 3 320.502 3.299 50 0 DGAAHN CN(Cn1c2ccccc2oc1=O)C1C2CC3CC(C2)CC1C3 ZINC000024657571 182386165 /nfs/dbraw/zinc/38/61/65/182386165.db2.gz DTFCDUFNYRBXBQ-UHFFFAOYSA-N 0 3 312.413 3.309 50 0 DGAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CCC(O)CC1 ZINC000039979578 183026916 /nfs/dbraw/zinc/02/69/16/183026916.db2.gz YQRNZTZGBBPBFJ-UHFFFAOYSA-N 0 3 317.408 3.021 50 0 DGAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2F)o1 ZINC000040555264 183101822 /nfs/dbraw/zinc/10/18/22/183101822.db2.gz LRUAWTVEYMITPV-UHFFFAOYSA-N 0 3 319.380 3.323 50 0 DGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccccn1 ZINC000043231358 183345971 /nfs/dbraw/zinc/34/59/71/183345971.db2.gz NKPHZMLGRNOKQE-ZDUSSCGKSA-N 0 3 316.430 3.102 50 0 DGAAHN O=C(c1nccc2ccccc21)N1CCC[C@H]1CN1CCCCC1 ZINC000068131950 296304169 /nfs/dbraw/zinc/30/41/69/296304169.db2.gz NVRCXCUHVHPMDB-KRWDZBQOSA-N 0 3 323.440 3.325 50 0 DGAAHN CCOc1ccc(CNCCOc2ccccn2)cc1Cl ZINC000057354919 184035178 /nfs/dbraw/zinc/03/51/78/184035178.db2.gz GKWUOSHJIIQHMM-UHFFFAOYSA-N 0 3 306.793 3.302 50 0 DGAAHN CCNC(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000057867940 184059046 /nfs/dbraw/zinc/05/90/46/184059046.db2.gz AQJDLFKZPQPQNH-CYBMUJFWSA-N 0 3 314.351 3.054 50 0 DGAAHN O[C@H](CNCc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000058154543 184081357 /nfs/dbraw/zinc/08/13/57/184081357.db2.gz MVFAKAGBPPRHMR-CQSZACIVSA-N 0 3 311.303 3.408 50 0 DGAAHN Brc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000058421172 184115649 /nfs/dbraw/zinc/11/56/49/184115649.db2.gz VVAQYTZAVMIDGR-UHFFFAOYSA-N 0 3 309.251 3.119 50 0 DGAAHN CN(C(=O)CN1CCC[C@H]1Cc1cccc2ccccc21)C1CC1 ZINC000061040070 184160332 /nfs/dbraw/zinc/16/03/32/184160332.db2.gz WXBYSOYUAOWFEO-IBGZPJMESA-N 0 3 322.452 3.468 50 0 DGAAHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccncc1Cl ZINC000063856584 184289778 /nfs/dbraw/zinc/28/97/78/184289778.db2.gz VHHWAHBSSLBUQV-UHFFFAOYSA-N 0 3 323.849 3.001 50 0 DGAAHN CC(C)CN(Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000064590768 184301117 /nfs/dbraw/zinc/30/11/17/184301117.db2.gz QNFRBNOJVGWOOR-UHFFFAOYSA-N 0 3 321.424 3.353 50 0 DGAAHN Cc1cccc(OCCCNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000065538958 184363394 /nfs/dbraw/zinc/36/33/94/184363394.db2.gz YCGWSMBUODOKPX-ULQDDVLXSA-N 0 3 318.461 3.141 50 0 DGAAHN CC(C)c1ccc(OCCC(=O)N(C)C2CCN(C)CC2)cc1 ZINC000065586773 184369146 /nfs/dbraw/zinc/36/91/46/184369146.db2.gz ZYWQAFXPUIRPCT-UHFFFAOYSA-N 0 3 318.461 3.132 50 0 DGAAHN COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000069487986 184518816 /nfs/dbraw/zinc/51/88/16/184518816.db2.gz KBOMCWCBVDKYSY-MSOLQXFVSA-N 0 3 324.424 3.499 50 0 DGAAHN Cc1cccc(F)c1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000157284354 197176428 /nfs/dbraw/zinc/17/64/28/197176428.db2.gz WQJFGNCPEFYOCH-UHFFFAOYSA-N 0 3 303.381 3.002 50 0 DGAAHN COc1cc2c(cc1OC)CN(C1Cc3ccccc3C1)CC2 ZINC000008207209 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ZINC000072278499 400377070 /nfs/dbraw/zinc/37/70/70/400377070.db2.gz MCMDJDNLCLALHW-UHFFFAOYSA-N 0 3 321.469 3.030 50 0 DGAAHN COc1ccc(-c2nc(CCNCc3cccnc3)co2)cc1 ZINC000072274449 400377440 /nfs/dbraw/zinc/37/74/40/400377440.db2.gz GEJNKCRLHBERPJ-UHFFFAOYSA-N 0 3 309.369 3.078 50 0 DGAAHN Cc1n[nH]c(C)c1NC(=O)CN[C@H](c1cccs1)C(C)(C)C ZINC000072285237 400377817 /nfs/dbraw/zinc/37/78/17/400377817.db2.gz DMCCOIFMCXXRSL-OAHLLOKOSA-N 0 3 320.462 3.404 50 0 DGAAHN Cc1ccc2cccc(NC(=O)N3CC[C@@H](N4CCCC4)C3)c2n1 ZINC000072285088 400378131 /nfs/dbraw/zinc/37/81/31/400378131.db2.gz NJLZWRZCCALRNI-MRXNPFEDSA-N 0 3 324.428 3.245 50 0 DGAAHN Cc1n[nH]c(C)c1NC(=O)CN[C@@H](c1cccs1)C(C)(C)C ZINC000072285236 400378186 /nfs/dbraw/zinc/37/81/86/400378186.db2.gz DMCCOIFMCXXRSL-HNNXBMFYSA-N 0 3 320.462 3.404 50 0 DGAAHN CC(=O)N1CCC([C@@H]2CCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000169781489 400760911 /nfs/dbraw/zinc/76/09/11/400760911.db2.gz WGHKQIOLAFYVOI-OAHLLOKOSA-N 0 3 322.399 3.045 50 0 DGAAHN 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DGAAHN Cc1cc(NC(=O)CCN(C)[C@@H](C)c2ccccc2F)no1 ZINC000051407355 431951561 /nfs/dbraw/zinc/95/15/61/431951561.db2.gz OKNKFZMFXGHLHP-LBPRGKRZSA-N 0 3 305.353 3.144 50 0 DGAAHN CC[C@H](C)N(Cc1cccn1-c1ncccn1)Cc1ccncc1 ZINC000055384711 431980979 /nfs/dbraw/zinc/98/09/79/431980979.db2.gz QFWKBSNDRWMPFW-INIZCTEOSA-N 0 3 321.428 3.463 50 0 DGAAHN O=C1CCc2ccc(N[C@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000096482890 431952657 /nfs/dbraw/zinc/95/26/57/431952657.db2.gz GTVXBBTUKYSJST-SFHVURJKSA-N 0 3 321.424 3.258 50 0 DGAAHN C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccco1 ZINC000096476467 431952914 /nfs/dbraw/zinc/95/29/14/431952914.db2.gz YMWPHQRZTBJWBT-DOTOQJQBSA-N 0 3 300.402 3.004 50 0 DGAAHN CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000096493651 431953553 /nfs/dbraw/zinc/95/35/53/431953553.db2.gz UQZLXAKPYGMEAC-GJZGRUSLSA-N 0 3 305.422 3.132 50 0 DGAAHN C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cccc(CO)c1 ZINC000096493959 431954821 /nfs/dbraw/zinc/95/48/21/431954821.db2.gz SEGLTTNBJUKIRS-HNNXBMFYSA-N 0 3 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CC(C)c1noc([C@H](C)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000059812233 184141104 /nfs/dbraw/zinc/14/11/04/184141104.db2.gz CVELBHRFJIQQKE-AWEZNQCLSA-N 0 3 308.470 3.308 50 0 DGAAHN c1ccc(CN2CCC[C@@H](NCc3cccc4c3OCO4)C2)cc1 ZINC000060975768 184159030 /nfs/dbraw/zinc/15/90/30/184159030.db2.gz BDMMUVNTSIBPSV-GOSISDBHSA-N 0 3 324.424 3.170 50 0 DGAAHN COc1ccc([C@H]2CCCCCN2C(=O)CN(C)C(C)C)cc1 ZINC000063501340 184283502 /nfs/dbraw/zinc/28/35/02/184283502.db2.gz PMHDVBYEJLZPNV-GOSISDBHSA-N 0 3 318.461 3.479 50 0 DGAAHN c1coc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000065286846 184321768 /nfs/dbraw/zinc/32/17/68/184321768.db2.gz GJHZPXYFCBSROP-OAHLLOKOSA-N 0 3 308.385 3.444 50 0 DGAAHN c1nnc([C@H]2CCCN(Cc3cccnc3)C2)n1-c1ccccc1 ZINC000065287919 184322763 /nfs/dbraw/zinc/32/27/63/184322763.db2.gz UPOHYIFMBWVXPT-KRWDZBQOSA-N 0 3 319.412 3.042 50 0 DGAAHN Cc1cccc(C(C)C)c1NC(=O)CNC[C@H]1CCCC[C@H]1O ZINC000065395173 184335119 /nfs/dbraw/zinc/33/51/19/184335119.db2.gz JPWZARVVCMOTTO-NVXWUHKLSA-N 0 3 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3 314.429 3.054 50 0 DGAAHN O[C@@H]1c2ccc(-c3ccc(F)cc3)cc2OC[C@H]1N1CCCC1 ZINC000426529407 285337246 /nfs/dbraw/zinc/33/72/46/285337246.db2.gz PNBZKDFWRACTTL-IEBWSBKVSA-N 0 3 313.372 3.383 50 0 DGAAHN CC[C@@H]1CN(C(=O)[C@H](N)CCSC)CC[C@H]1c1ccccc1 ZINC000121667173 195326199 /nfs/dbraw/zinc/32/61/99/195326199.db2.gz YTYFMAYFDOFJNW-DJIMGWMZSA-N 0 3 320.502 3.109 50 0 DGAAHN O[C@]12CCCC[C@@H]1[C@H](c1cccc(Br)c1)NCC2 ZINC000006471273 400091916 /nfs/dbraw/zinc/09/19/16/400091916.db2.gz MBLRVINXDJTALG-ILXRZTDVSA-N 0 3 310.235 3.405 50 0 DGAAHN CC(=O)NC(C)(C)C[C@@H](C)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584892294 400121929 /nfs/dbraw/zinc/12/19/29/400121929.db2.gz DIGQJTWFADQQDQ-LLVKDONJSA-N 0 3 310.388 3.237 50 0 DGAAHN N=C1NC(Nc2cccc3ccccc32)=NC2(CCCCC2)N1 ZINC000022170603 400199944 /nfs/dbraw/zinc/19/99/44/400199944.db2.gz PWNVSXFHPDYQEV-UHFFFAOYSA-N 0 3 307.401 3.186 50 0 DGAAHN CC[NH+](CC)CCSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000072300654 400380048 /nfs/dbraw/zinc/38/00/48/400380048.db2.gz 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/nfs/dbraw/zinc/76/38/98/400763898.db2.gz DCCGCEYNQSMBRN-LBPRGKRZSA-N 0 3 315.392 3.159 50 0 DGAAHN Cc1n[nH]cc1CNC[C@H](C)Oc1ccccc1Br ZINC000079014953 400840514 /nfs/dbraw/zinc/84/05/14/400840514.db2.gz MQLASMJYJVGHDL-JTQLQIEISA-N 0 3 324.222 3.038 50 0 DGAAHN CC(C)(O)CSCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000195557654 400925929 /nfs/dbraw/zinc/92/59/29/400925929.db2.gz SBLNFJXRPHZCFF-CQSZACIVSA-N 0 3 313.438 3.133 50 0 DGAAHN Fc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc(F)c1F ZINC000252496729 401094688 /nfs/dbraw/zinc/09/46/88/401094688.db2.gz PQFLSRKOVGMXHS-UHFFFAOYSA-N 0 3 323.318 3.496 50 0 DGAAHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000253369352 401098728 /nfs/dbraw/zinc/09/87/28/401098728.db2.gz BKHNRUYZQFZMMY-RDTXWAMCSA-N 0 3 321.428 3.280 50 0 DGAAHN Cc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)n[nH]3)C2)o1 ZINC000065286943 401263621 /nfs/dbraw/zinc/26/36/21/401263621.db2.gz KFJUIAJQUVPIRU-HNNXBMFYSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)[n-]3)C2)o1 ZINC000065286943 401263625 /nfs/dbraw/zinc/26/36/25/401263625.db2.gz KFJUIAJQUVPIRU-HNNXBMFYSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)[n-]3)C2)o1 ZINC000065286943 401263630 /nfs/dbraw/zinc/26/36/30/401263630.db2.gz KFJUIAJQUVPIRU-HNNXBMFYSA-N 0 3 323.400 3.148 50 0 DGAAHN CCOc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1C ZINC000066161146 401295146 /nfs/dbraw/zinc/29/51/46/401295146.db2.gz JBKVLIBQLNCLEU-INIZCTEOSA-N 0 3 317.433 3.096 50 0 DGAAHN C[C@@H](N[C@@H](C)Cn1cncn1)c1cc2cc(Cl)ccc2o1 ZINC000097034475 287049974 /nfs/dbraw/zinc/04/99/74/287049974.db2.gz BCGZDQBKUYFISC-WDEREUQCSA-N 0 3 304.781 3.417 50 0 DGAAHN c1coc([C@H](CNCc2cnn3ccccc23)N2CCCCC2)c1 ZINC000171761894 432171010 /nfs/dbraw/zinc/17/10/10/432171010.db2.gz HCELDHVZKOHQSO-SFHVURJKSA-N 0 3 324.428 3.244 50 0 DGAAHN CCN1CCN(c2cccc(N[C@@H](C)c3ccccn3)c2)CC1 ZINC000191178957 432230866 /nfs/dbraw/zinc/23/08/66/432230866.db2.gz RTJGSMBVOUUDOP-INIZCTEOSA-N 0 3 310.445 3.397 50 0 DGAAHN CN1CCCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000004748090 277052804 /nfs/dbraw/zinc/05/28/04/277052804.db2.gz DSBXDTHCGUJUEG-UHFFFAOYSA-N 0 3 318.424 3.439 50 0 DGAAHN CO[C@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)nc1 ZINC000095412285 277335173 /nfs/dbraw/zinc/33/51/73/277335173.db2.gz SLCPSCONXUPUPB-SJORKVTESA-N 0 3 303.450 3.119 50 0 DGAAHN COc1ccccc1[C@H](C)N(C)CCC(=O)Nc1cc(C)on1 ZINC000044914495 278061357 /nfs/dbraw/zinc/06/13/57/278061357.db2.gz LKXIYWZZMJWQRS-ZDUSSCGKSA-N 0 3 317.389 3.013 50 0 DGAAHN C[C@@H](NCc1cnc(-c2ccccc2)nc1)[C@H](C)n1cccn1 ZINC000069434603 278359787 /nfs/dbraw/zinc/35/97/87/278359787.db2.gz NPJUIGHPMBVODV-CABCVRRESA-N 0 3 307.401 3.079 50 0 DGAAHN CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccnc1 ZINC000068363707 431126304 /nfs/dbraw/zinc/12/63/04/431126304.db2.gz KBJMFPVZLRIUPB-GOSISDBHSA-N 0 3 323.440 3.347 50 0 DGAAHN CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc21 ZINC000000054793 431116140 /nfs/dbraw/zinc/11/61/40/431116140.db2.gz JVKHTMOGDVLAFZ-UHFFFAOYSA-N 0 3 305.374 3.460 50 0 DGAAHN Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000108111129 431122884 /nfs/dbraw/zinc/12/28/84/431122884.db2.gz SQFQXDXUSPEOHV-DOMZBBRYSA-N 0 3 309.841 3.452 50 0 DGAAHN Cc1nc2c(s1)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000096476817 279117604 /nfs/dbraw/zinc/11/76/04/279117604.db2.gz UCKITJSSOUWCIV-JQWIXIFHSA-N 0 3 319.396 3.055 50 0 DGAAHN Cc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000000299304 431162267 /nfs/dbraw/zinc/16/22/67/431162267.db2.gz XOQQQIHUJQBIIT-UHFFFAOYSA-N 0 3 302.462 3.369 50 0 DGAAHN CCOc1ccccc1CN1CCC(C(=O)N(CC)CC)CC1 ZINC000000299615 431162458 /nfs/dbraw/zinc/16/24/58/431162458.db2.gz DXCSJMBUGNSFTG-UHFFFAOYSA-N 0 3 318.461 3.166 50 0 DGAAHN Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)C2CCCCC2)o1 ZINC000069170630 431168602 /nfs/dbraw/zinc/16/86/02/431168602.db2.gz TYJAWCGQILGNRP-OAHLLOKOSA-N 0 3 303.406 3.009 50 0 DGAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccccc2)c1 ZINC000069453446 431187643 /nfs/dbraw/zinc/18/76/43/431187643.db2.gz MTYWYQPPLLJYOD-HUUCEWRRSA-N 0 3 309.417 3.321 50 0 DGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000000240560 431151108 /nfs/dbraw/zinc/15/11/08/431151108.db2.gz FIBLKMIJVSJMCG-HNNXBMFYSA-N 0 3 308.853 3.420 50 0 DGAAHN Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)cc2c1 ZINC000069619094 431206380 /nfs/dbraw/zinc/20/63/80/431206380.db2.gz QXGYKCFPGHBXPX-QZTJIDSGSA-N 0 3 311.429 3.175 50 0 DGAAHN CN1CCC(Nc2ccccc2NC(=O)c2ccccc2)CC1 ZINC000069617088 431206596 /nfs/dbraw/zinc/20/65/96/431206596.db2.gz IKVDPTNQKBPFSU-UHFFFAOYSA-N 0 3 309.413 3.445 50 0 DGAAHN CN(C(=O)CN1CCC[C@@H]1Cc1cccc2ccccc21)C1CC1 ZINC000070039660 431239828 /nfs/dbraw/zinc/23/98/28/431239828.db2.gz WXBYSOYUAOWFEO-LJQANCHMSA-N 0 3 322.452 3.468 50 0 DGAAHN CCN(CC)CCn1nc2c3c(cccc3c1=O)-c1ccccc1-2 ZINC000002459149 431252256 /nfs/dbraw/zinc/25/22/56/431252256.db2.gz XNRPWZMOVUAHLY-UHFFFAOYSA-N 0 3 319.408 3.386 50 0 DGAAHN CCOc1ccccc1OCCOCCNCc1ccccc1 ZINC000003000393 431279087 /nfs/dbraw/zinc/27/90/87/431279087.db2.gz YKJHEZCKEBEVIO-UHFFFAOYSA-N 0 3 315.413 3.271 50 0 DGAAHN CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1 ZINC000071853410 431299933 /nfs/dbraw/zinc/29/99/33/431299933.db2.gz GCYCIGBMJUYXSB-GJZGRUSLSA-N 0 3 306.475 3.103 50 0 DGAAHN CN1CCC(NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000006726923 431317161 /nfs/dbraw/zinc/31/71/61/431317161.db2.gz ICUZJJVUCWIOPK-UHFFFAOYSA-N 0 3 310.397 3.303 50 0 DGAAHN CCCn1ccnc1CN1CCCN(Cc2cccs2)CC1 ZINC000072149667 431330432 /nfs/dbraw/zinc/33/04/32/431330432.db2.gz KXZVAALQHNVWOW-UHFFFAOYSA-N 0 3 318.490 3.063 50 0 DGAAHN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC(C)(C)CC)c1C ZINC000008128751 431382353 /nfs/dbraw/zinc/38/23/53/431382353.db2.gz XPTAJXLQFUNKBQ-GFCCVEGCSA-N 0 3 308.422 3.158 50 0 DGAAHN O=C(Nc1ccccc1F)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000008755952 431411648 /nfs/dbraw/zinc/41/16/48/431411648.db2.gz OSFOQGZVJBXGMN-HNNXBMFYSA-N 0 3 313.376 3.222 50 0 DGAAHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000010328874 431461183 /nfs/dbraw/zinc/46/11/83/431461183.db2.gz 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YTTUMRHWPYRERU-OAHLLOKOSA-N 0 3 315.465 3.030 50 0 DGAAHN Cc1cccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000012363294 431504675 /nfs/dbraw/zinc/50/46/75/431504675.db2.gz RFICDTUWEKXGIT-CALCHBBNSA-N 0 3 302.462 3.069 50 0 DGAAHN CCN1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000013139333 431550573 /nfs/dbraw/zinc/55/05/73/431550573.db2.gz HGHSAQKKTCGYPM-UYAOXDASSA-N 0 3 309.409 3.099 50 0 DGAAHN CC[C@@H]1CN(C(=O)[C@@H](N)CCSC)CC[C@@H]1c1ccccc1 ZINC000236920726 280366000 /nfs/dbraw/zinc/36/60/00/280366000.db2.gz YTYFMAYFDOFJNW-PVAVHDDUSA-N 0 3 320.502 3.109 50 0 DGAAHN COCCC[C@H]1CCCCN1Cc1cn2cc(C)ccc2n1 ZINC000077540618 431608506 /nfs/dbraw/zinc/60/85/06/431608506.db2.gz IBBYIAVCPPLXIF-QGZVFWFLSA-N 0 3 301.434 3.424 50 0 DGAAHN O=C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000016396246 431611705 /nfs/dbraw/zinc/61/17/05/431611705.db2.gz MDJHAUJWZAZVCW-UHFFFAOYSA-N 0 3 308.425 3.215 50 0 DGAAHN CC[C@H](O)CN1CCN(c2ccc(C3CCCC3)cc2)CC1 ZINC000019802307 431618879 /nfs/dbraw/zinc/61/88/79/431618879.db2.gz VNIWYEKFNDXMBT-IBGZPJMESA-N 0 3 302.462 3.237 50 0 DGAAHN c1cnn(-c2ccc(CN[C@H]3CCOc4ccccc43)cc2)c1 ZINC000030545276 431742750 /nfs/dbraw/zinc/74/27/50/431742750.db2.gz DCUDLZWUKHTEAJ-SFHVURJKSA-N 0 3 305.381 3.486 50 0 DGAAHN Oc1ccc(C2=CCN(C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000032900856 431798141 /nfs/dbraw/zinc/79/81/41/431798141.db2.gz PPSIVNSNXZCCDD-LJQANCHMSA-N 0 3 313.372 3.354 50 0 DGAAHN COc1ccc(OC)c(CN2CCN(C3CCCCC3)CC2)c1 ZINC000032520042 431782284 /nfs/dbraw/zinc/78/22/84/431782284.db2.gz NYSGAPUKOYUSJP-UHFFFAOYSA-N 0 3 318.461 3.154 50 0 DGAAHN Cc1cc(CN2CCN(c3cc(C)nc4ccccc43)CC2)on1 ZINC000040047097 431855812 /nfs/dbraw/zinc/85/58/12/431855812.db2.gz RTRUVNWTYXQZMJ-UHFFFAOYSA-N 0 3 322.412 3.162 50 0 DGAAHN Cc1cc([C@H](C)NC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)s1 ZINC000089582352 431870629 /nfs/dbraw/zinc/87/06/29/431870629.db2.gz NXLSNWPXICPBOX-DZGCQCFKSA-N 0 3 321.490 3.306 50 0 DGAAHN FC(F)(F)c1cc([C@@H]2CCCN(CCc3ccccn3)C2)[nH]n1 ZINC000084609928 431830269 /nfs/dbraw/zinc/83/02/69/431830269.db2.gz LMOZHFHUVCCMBX-GFCCVEGCSA-N 0 3 324.350 3.246 50 0 DGAAHN CC(C)OC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000036096830 431835382 /nfs/dbraw/zinc/83/53/82/431835382.db2.gz NYSLKVSRLFZZOI-HXUWFJFHSA-N 0 3 313.441 3.475 50 0 DGAAHN Cc1ccccc1CN(C[C@H](O)COc1ccccc1)C1CC1 ZINC000036104540 431837165 /nfs/dbraw/zinc/83/71/65/431837165.db2.gz RJHKUVUZJLQTRV-IBGZPJMESA-N 0 3 311.425 3.399 50 0 DGAAHN CN(C)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000048265716 431922022 /nfs/dbraw/zinc/92/20/22/431922022.db2.gz MVYNKDDHUPVENR-MRXNPFEDSA-N 0 3 302.805 3.373 50 0 DGAAHN CCOC(=O)c1cccnc1NC[C@H](c1cccs1)N(C)C ZINC000048314326 431922900 /nfs/dbraw/zinc/92/29/00/431922900.db2.gz UPELBQXSUOIBSU-CYBMUJFWSA-N 0 3 319.430 3.035 50 0 DGAAHN C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000048309532 431923331 /nfs/dbraw/zinc/92/33/31/431923331.db2.gz HATJZHBAHYJBGH-DOTOQJQBSA-N 0 3 318.436 3.439 50 0 DGAAHN Cc1ccc2c(c1)[C@@H](NCc1cccc(Cn3cncn3)c1)CC2 ZINC000095420116 431925056 /nfs/dbraw/zinc/92/50/56/431925056.db2.gz AZHCGXLAQPPYCT-FQEVSTJZSA-N 0 3 318.424 3.412 50 0 DGAAHN C[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 ZINC000089904607 431884689 /nfs/dbraw/zinc/88/46/89/431884689.db2.gz ZPWCXLWSOJOUBP-KDOFPFPSSA-N 0 3 301.409 3.044 50 0 DGAAHN Cc1ccnc(C[C@H](C)N(C)Cc2c3ccccc3nn2C)c1 ZINC000055042666 431975009 /nfs/dbraw/zinc/97/50/09/431975009.db2.gz ZKRDMYZUCVFJFX-HNNXBMFYSA-N 0 3 308.429 3.340 50 0 DGAAHN C[C@H](NC[C@@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095943530 431927147 /nfs/dbraw/zinc/92/71/47/431927147.db2.gz CQDGOPJCQIYBHB-WCBMZHEXSA-N 0 3 319.232 3.378 50 0 DGAAHN CCOCCN1CCN([C@@H](C)CCc2ccccc2)C[C@@H]1C ZINC000095950832 431928395 /nfs/dbraw/zinc/92/83/95/431928395.db2.gz GZSUCVASCKHUNC-ROUUACIJSA-N 0 3 304.478 3.050 50 0 DGAAHN CC(C)n1cc([C@@H](C)NC[C@]2(O)CCCc3ccccc32)cn1 ZINC000095967851 431928752 /nfs/dbraw/zinc/92/87/52/431928752.db2.gz XTXPPEICVCQWLD-DNVCBOLYSA-N 0 3 313.445 3.339 50 0 DGAAHN Cc1cccc2c(NCCc3cccc(C(N)=O)c3)ccnc12 ZINC000095967539 431928866 /nfs/dbraw/zinc/92/88/66/431928866.db2.gz KJAPFWSUESDGTD-UHFFFAOYSA-N 0 3 305.381 3.297 50 0 DGAAHN CCN(Cc1cccs1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000095965554 431928947 /nfs/dbraw/zinc/92/89/47/431928947.db2.gz UMTRBIKZTWMGPA-CZUORRHYSA-N 0 3 302.443 3.433 50 0 DGAAHN Cc1cnc([C@@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 ZINC000095968582 431930093 /nfs/dbraw/zinc/93/00/93/431930093.db2.gz NJTXZEDNFPRIPT-RYUDHWBXSA-N 0 3 319.396 3.129 50 0 DGAAHN CCOc1cccc2cc([C@H](C)NC[C@]3(O)CCSC3)oc21 ZINC000095987977 431932838 /nfs/dbraw/zinc/93/28/38/431932838.db2.gz USNLNJRCEHFWJM-YVEFUNNKSA-N 0 3 321.442 3.350 50 0 DGAAHN c1cn(C2CCCC2)nc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988100 431933059 /nfs/dbraw/zinc/93/30/59/431933059.db2.gz WOITVOIRMASVPJ-KSZLIROESA-N 0 3 315.461 3.436 50 0 DGAAHN COc1cc(-c2ccccc2)ccc1CN1CCC(C(N)=O)CC1 ZINC000096004843 431933201 /nfs/dbraw/zinc/93/32/01/431933201.db2.gz GSFZIALCZXAAQS-UHFFFAOYSA-N 0 3 324.424 3.060 50 0 DGAAHN CN1CCC(CC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000096012418 431934039 /nfs/dbraw/zinc/93/40/39/431934039.db2.gz YBANLEDPWNBTFR-UHFFFAOYSA-N 0 3 308.853 3.423 50 0 DGAAHN CCc1nc(C)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000125715703 431934755 /nfs/dbraw/zinc/93/47/55/431934755.db2.gz JBTCPBOOBVQZDM-MWLCHTKSSA-N 0 3 321.412 3.301 50 0 DGAAHN COc1ccc2ncc(-c3ccc(N4CCNCC4)cc3)cc2c1 ZINC000096133025 431939954 /nfs/dbraw/zinc/93/99/54/431939954.db2.gz YGCCEOILUPDWGC-UHFFFAOYSA-N 0 3 319.408 3.320 50 0 DGAAHN Cc1nc(-c2cccc(OC(F)F)c2)n(C2CCN(C)CC2)n1 ZINC000096162630 431940925 /nfs/dbraw/zinc/94/09/25/431940925.db2.gz QZFPDTSCQRYJTQ-UHFFFAOYSA-N 0 3 322.359 3.122 50 0 DGAAHN CCN1CCC(NC(=O)/C=C(\C)CCc2ccccc2)CC1 ZINC000096257261 431943410 /nfs/dbraw/zinc/94/34/10/431943410.db2.gz STAVUZURFHZWTF-FOCLMDBBSA-N 0 3 300.446 3.166 50 0 DGAAHN c1ccc(SCCN2CCC(OC3CCOCC3)CC2)cc1 ZINC000096417434 431946926 /nfs/dbraw/zinc/94/69/26/431946926.db2.gz SLIOCMWIKUJAIC-UHFFFAOYSA-N 0 3 321.486 3.439 50 0 DGAAHN Cc1cc2ncn(C[C@H](O)CN(C)Cc3ccccc3)c2cc1C ZINC000051085948 431949741 /nfs/dbraw/zinc/94/97/41/431949741.db2.gz UJGDDZMSHNJTMI-GOSISDBHSA-N 0 3 323.440 3.146 50 0 DGAAHN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000096450625 431950949 /nfs/dbraw/zinc/95/09/49/431950949.db2.gz VULODGWEZDNSRM-JKSUJKDBSA-N 0 3 306.475 3.152 50 0 DGAAHN C[S@](=O)c1ccc(CNCCSc2ccccc2F)cc1 ZINC000096461184 431951602 /nfs/dbraw/zinc/95/16/02/431951602.db2.gz XQTCUGXSPSOGCZ-OAQYLSRUSA-N 0 3 323.458 3.445 50 0 DGAAHN OC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCSCC1 ZINC000096484924 431953542 /nfs/dbraw/zinc/95/35/42/431953542.db2.gz UZPIAUAJASBIMZ-UHFFFAOYSA-N 0 3 323.355 3.192 50 0 DGAAHN CC(C)CCNC(=O)C1CCN(Cc2cccc(F)c2)CC1 ZINC000052043258 431954300 /nfs/dbraw/zinc/95/43/00/431954300.db2.gz WCABUHWNDGOMAN-UHFFFAOYSA-N 0 3 306.425 3.200 50 0 DGAAHN CC(C)COc1cccc(CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000097033969 431956565 /nfs/dbraw/zinc/95/65/65/431956565.db2.gz SSJFZQBBNMASBQ-UHFFFAOYSA-N 0 3 314.433 3.219 50 0 DGAAHN Cn1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1=O ZINC000052515289 431956616 /nfs/dbraw/zinc/95/66/16/431956616.db2.gz QNSOSDTUPMPGJT-KRWDZBQOSA-N 0 3 302.805 3.280 50 0 DGAAHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 ZINC000097038997 431957757 /nfs/dbraw/zinc/95/77/57/431957757.db2.gz VPZBWVWQRPQORI-HIFRSBDPSA-N 0 3 317.385 3.006 50 0 DGAAHN CN1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000097050899 431958944 /nfs/dbraw/zinc/95/89/44/431958944.db2.gz XZZLYJOTCLQDTC-UHFFFAOYSA-N 0 3 309.413 3.108 50 0 DGAAHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2cncs2)C1 ZINC000097095780 431960998 /nfs/dbraw/zinc/96/09/98/431960998.db2.gz FFJLTUBFEBEPSM-VXGBXAGGSA-N 0 3 311.451 3.069 50 0 DGAAHN COCc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC000097159514 431963016 /nfs/dbraw/zinc/96/30/16/431963016.db2.gz FJMBLCCNPZUOOQ-UHFFFAOYSA-N 0 3 311.385 3.414 50 0 DGAAHN CC(C)(C)c1n[nH]cc1CNC[C@H]1CCN(c2ccccc2)C1 ZINC000097159137 431963175 /nfs/dbraw/zinc/96/31/75/431963175.db2.gz HTOCDZFKHHTWAH-OAHLLOKOSA-N 0 3 312.461 3.323 50 0 DGAAHN Cc1ccnc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)c1 ZINC000097200721 431963850 /nfs/dbraw/zinc/96/38/50/431963850.db2.gz ACYJCARPWCNBNF-HNNXBMFYSA-N 0 3 322.412 3.465 50 0 DGAAHN Cc1cccc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)n1 ZINC000097200859 431964303 /nfs/dbraw/zinc/96/43/03/431964303.db2.gz ZDNMQMXEOXFFHU-HNNXBMFYSA-N 0 3 322.412 3.465 50 0 DGAAHN Cc1ccnc(NC[C@H]2CCN(Cc3nc4ccccc4o3)C2)c1 ZINC000097200722 431964592 /nfs/dbraw/zinc/96/45/92/431964592.db2.gz ACYJCARPWCNBNF-OAHLLOKOSA-N 0 3 322.412 3.465 50 0 DGAAHN CCSc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000102716733 431997181 /nfs/dbraw/zinc/99/71/81/431997181.db2.gz MGUDQNSNNADFOD-CQSZACIVSA-N 0 3 317.458 3.277 50 0 DGAAHN C[C@H]1COCCN1CCN1CCC[C@H]1c1ccccc1Cl ZINC000248983817 432332467 /nfs/dbraw/zinc/33/24/67/432332467.db2.gz DRQSBZCXPBDRFM-YOEHRIQHSA-N 0 3 308.853 3.198 50 0 DGAAHN CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](CSC)C1 ZINC000253429442 432397027 /nfs/dbraw/zinc/39/70/27/432397027.db2.gz CRHPDQHDRMJTQB-KRWDZBQOSA-N 0 3 320.502 3.110 50 0 DGAAHN CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](CSC)C1 ZINC000253429446 432397040 /nfs/dbraw/zinc/39/70/40/432397040.db2.gz CRHPDQHDRMJTQB-QGZVFWFLSA-N 0 3 320.502 3.110 50 0 DGAAHN COc1ccccc1C[C@@H](C)N(C)Cc1[nH]cc(C)c(=O)c1C ZINC000253536150 432398756 /nfs/dbraw/zinc/39/87/56/432398756.db2.gz AOPKYVFPRXQJLZ-CQSZACIVSA-N 0 3 314.429 3.476 50 0 DGAAHN CCCOc1ccc(CN2CCC3(CC[C@@H]3O)CC2)cc1OC ZINC000257195006 432415926 /nfs/dbraw/zinc/41/59/26/432415926.db2.gz VEJFQNXSIPROGN-SFHVURJKSA-N 0 3 319.445 3.221 50 0 DGAAHN Cc1cccc(CN2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000257181595 432416160 /nfs/dbraw/zinc/41/61/60/432416160.db2.gz NQCMGLWERJOLHY-MSOLQXFVSA-N 0 3 300.446 3.266 50 0 DGAAHN OC[C@H]1CC[C@@H](NCc2sccc2Br)CC1 ZINC000195564561 432628339 /nfs/dbraw/zinc/62/83/39/432628339.db2.gz PCTCILNVNLPDGM-MGCOHNPYSA-N 0 3 304.253 3.151 50 0 DGAAHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ncccc2F)CC1 ZINC000195558705 432628768 /nfs/dbraw/zinc/62/87/68/432628768.db2.gz IDEOOUYWAJDOFT-ZDUSSCGKSA-N 0 3 323.412 3.100 50 0 DGAAHN CCN(CCn1cccn1)Cc1c(C)cc(C)cc1-n1cccn1 ZINC000216158021 432647937 /nfs/dbraw/zinc/64/79/37/432647937.db2.gz SRQUNVAYOIZMNA-UHFFFAOYSA-N 0 3 323.444 3.208 50 0 DGAAHN c1cn(C[C@@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)cn1 ZINC000215575263 432644100 /nfs/dbraw/zinc/64/41/00/432644100.db2.gz SBGJFCNGRAHHMG-MRXNPFEDSA-N 0 3 322.412 3.450 50 0 DGAAHN COc1cc(CN(C)CCCn2cccn2)cc(Cl)c1OC ZINC000216361259 432649659 /nfs/dbraw/zinc/64/96/59/432649659.db2.gz POFIZKQHJLDIKD-UHFFFAOYSA-N 0 3 323.824 3.076 50 0 DGAAHN C[C@H](CCN[C@@H](C)c1cc(Br)cs1)[S@@](C)=O ZINC000226397886 432706949 /nfs/dbraw/zinc/70/69/49/432706949.db2.gz CMOSJYRMWPLOMG-YNEJBJPTSA-N 0 3 324.309 3.318 50 0 DGAAHN O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229723181 432722881 /nfs/dbraw/zinc/72/28/81/432722881.db2.gz SADBENMQUSDJBL-UYAOXDASSA-N 0 3 320.436 3.496 50 0 DGAAHN C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000230211506 432727556 /nfs/dbraw/zinc/72/75/56/432727556.db2.gz QIMXVAQVVXWPFY-PMPSAXMXSA-N 0 3 309.498 3.375 50 0 DGAAHN COc1cnccc1[C@@H](C)NC1CCN(c2ccccc2)CC1 ZINC000188769236 432745687 /nfs/dbraw/zinc/74/56/87/432745687.db2.gz MFURIWNOQRAOAR-OAHLLOKOSA-N 0 3 311.429 3.410 50 0 DGAAHN COC(=O)c1ccc(CN2CCC[C@H](c3ccncc3)C2)s1 ZINC000241739128 432816628 /nfs/dbraw/zinc/81/66/28/432816628.db2.gz RAGHCJNJKOEXFM-AWEZNQCLSA-N 0 3 316.426 3.309 50 0 DGAAHN CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000241630907 432817162 /nfs/dbraw/zinc/81/71/62/432817162.db2.gz PMIRNAAXHVCTAE-NXOAAHMSSA-N 0 3 307.482 3.129 50 0 DGAAHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H]2Cc2ccccc2)C1 ZINC000241869071 432817232 /nfs/dbraw/zinc/81/72/32/432817232.db2.gz SUFHBUXYCQHAMA-LMMKCTJWSA-N 0 3 314.473 3.198 50 0 DGAAHN Cc1cc(NC(=O)CN(C)C[C@H]2CCCCN2C)ccc1Cl ZINC000244887882 432823768 /nfs/dbraw/zinc/82/37/68/432823768.db2.gz YQBQLFGDRGSLRC-OAHLLOKOSA-N 0 3 323.868 3.003 50 0 DGAAHN C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCN1Cc1ccccc1 ZINC000245344139 432824714 /nfs/dbraw/zinc/82/47/14/432824714.db2.gz XTTHEKRQQNIZNO-DBDQLMEASA-N 0 3 312.457 3.202 50 0 DGAAHN CN1CC[C@H](NCc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000240900789 432815314 /nfs/dbraw/zinc/81/53/14/432815314.db2.gz ITZPNGUAWVCWPH-DLBZAZTESA-N 0 3 319.811 3.409 50 0 DGAAHN Fc1ccc([C@H]2CCCCN2CCN2CCCOCC2)cc1 ZINC000361319988 433102637 /nfs/dbraw/zinc/10/26/37/433102637.db2.gz XTARARDLBULXRY-GOSISDBHSA-N 0 3 306.425 3.075 50 0 DGAAHN COC[C@H](O)CN[C@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000131548760 293187256 /nfs/dbraw/zinc/18/72/56/293187256.db2.gz XLLKUSSZTWGEDL-WBVHZDCISA-N 0 3 321.461 3.103 50 0 DGAAHN C[C@@H](NCc1ccc(-c2ncco2)cc1F)[C@@H]1CCCOC1 ZINC000408520932 434588186 /nfs/dbraw/zinc/58/81/86/434588186.db2.gz BVLROYRECMPNKP-IUODEOHRSA-N 0 3 304.365 3.385 50 0 DGAAHN COc1ccccc1[C@@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1 ZINC000091344100 295385864 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DGAAHN Cc1ccc(NC(C)(C)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC001506399367 1186221324 /nfs/dbraw/zinc/22/13/24/1186221324.db2.gz MQLAKNWWFXGLIS-MRXNPFEDSA-N 0 3 317.477 3.176 50 0 DGAAHN CCn1nc([C@@H]2CCCCN2C2CCCC2)c2c1CCOC2 ZINC000675011482 1083446349 /nfs/dbraw/zinc/44/63/49/1083446349.db2.gz QLHUOSMPJAMVRU-KRWDZBQOSA-N 0 3 303.450 3.445 50 0 DGAAHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)C1=Cc2ccccc2OC1 ZINC000952876937 1096784236 /nfs/dbraw/zinc/78/42/36/1096784236.db2.gz ISMVDOAEJIOGTB-GMVOTWDCSA-N 0 3 307.393 3.099 50 0 DGAAHN Cc1ccc(-c2noc([C@H](C)N(C)C3CCCCC3)n2)nn1 ZINC000095509257 185376013 /nfs/dbraw/zinc/37/60/13/185376013.db2.gz FJPZDTWLSLEVGE-LBPRGKRZSA-N 0 3 301.394 3.161 50 0 DGAAHN CCCc1cnc(C)nc1N1CCC(NCc2ccoc2)CC1 ZINC000095530478 185378807 /nfs/dbraw/zinc/37/88/07/185378807.db2.gz XWQGDJNQVXUIIS-UHFFFAOYSA-N 0 3 314.433 3.089 50 0 DGAAHN CCC(=O)N[C@@H]1CCCN(Cc2cc(C)nc3ccccc23)C1 ZINC000079309165 185164275 /nfs/dbraw/zinc/16/42/75/185164275.db2.gz NFZNMQUIPWBASU-MRXNPFEDSA-N 0 3 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ZINC000072168274 191066462 /nfs/dbraw/zinc/06/64/62/191066462.db2.gz VEKZPPUJPJBEHQ-QGZVFWFLSA-N 0 3 312.413 3.381 50 0 DGAAHN COc1ccc2[nH]c(CN[C@@H](C)Cn3nc(C)cc3C)cc2c1 ZINC000067589104 432032799 /nfs/dbraw/zinc/03/27/99/432032799.db2.gz LPKULKSADUNCLV-ZDUSSCGKSA-N 0 3 312.417 3.168 50 0 DGAAHN CN1CC=C(C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000067561244 432033177 /nfs/dbraw/zinc/03/31/77/432033177.db2.gz KLVKYCVUDUGRJC-BQYQJAHWSA-N 0 3 310.441 3.200 50 0 DGAAHN CN1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000067603694 432033556 /nfs/dbraw/zinc/03/35/56/432033556.db2.gz QPNLUKPNSAFJEA-UHFFFAOYSA-N 0 3 312.866 3.033 50 0 DGAAHN CN(Cc1cnc(-c2ccco2)nc1)C1Cc2ccccc2C1 ZINC000067695211 432035559 /nfs/dbraw/zinc/03/55/59/432035559.db2.gz FMDHXFLBRWZRSR-UHFFFAOYSA-N 0 3 305.381 3.336 50 0 DGAAHN COc1cc(C=O)ccc1OC[C@@H]1CCCN2CCCC[C@H]12 ZINC000004027597 181064302 /nfs/dbraw/zinc/06/43/02/181064302.db2.gz QEVIUWIOYIQVMW-JKSUJKDBSA-N 0 3 303.402 3.151 50 0 biogenic DGAAHN Cc1noc(/C=C/c2ccccc2OCCN2CCCCC2)n1 ZINC000004015240 181062689 /nfs/dbraw/zinc/06/26/89/181062689.db2.gz UTXYNOKBPCNJEX-MDZDMXLPSA-N 0 3 313.401 3.413 50 0 DGAAHN Cc1cc(C(=O)N2CCC3(CC2)CCC[N@@H+](C)CC3)ccc1[O-] ZINC000067771737 432039048 /nfs/dbraw/zinc/03/90/48/432039048.db2.gz PBMHBCMMHZLBAF-UHFFFAOYSA-N 0 3 316.445 3.039 50 0 DGAAHN Cc1cc(C(=O)N2CCC3(CC2)CCC[N@H+](C)CC3)ccc1[O-] ZINC000067771737 432039054 /nfs/dbraw/zinc/03/90/54/432039054.db2.gz PBMHBCMMHZLBAF-UHFFFAOYSA-N 0 3 316.445 3.039 50 0 DGAAHN CC(=O)NC[C@H]1CCN(Cc2cccc(-c3ccc(C)o3)c2)C1 ZINC000067770742 432039727 /nfs/dbraw/zinc/03/97/27/432039727.db2.gz UELPZGNJGPUYRI-QGZVFWFLSA-N 0 3 312.413 3.213 50 0 DGAAHN COCCn1ccnc1-c1cc(CN2CCCCC2)cs1 ZINC000067755757 432039445 /nfs/dbraw/zinc/03/94/45/432039445.db2.gz QLOFGKSGTMGQGQ-UHFFFAOYSA-N 0 3 305.447 3.244 50 0 DGAAHN CN1CCC(CNC(=O)Nc2ccccc2)(c2ccccc2)CC1 ZINC000004753552 181148266 /nfs/dbraw/zinc/14/82/66/181148266.db2.gz IFSWCUVROCICDI-UHFFFAOYSA-N 0 3 323.440 3.472 50 0 DGAAHN C[C@@H](c1ccc(-c2nccn2CCn2ccnc2)cc1)N(C)C ZINC000067786695 432041352 /nfs/dbraw/zinc/04/13/52/432041352.db2.gz NMBITAIUFHLBIV-HNNXBMFYSA-N 0 3 309.417 3.069 50 0 DGAAHN COc1cc2c(cc1CN1CCC[C@H](c3cc[nH]n3)C1)CCC2 ZINC000067846916 432044101 /nfs/dbraw/zinc/04/41/01/432044101.db2.gz CAWYJKVPPITDLS-INIZCTEOSA-N 0 3 311.429 3.287 50 0 DGAAHN Cc1ccoc1C(=O)NC[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000067908814 432045558 /nfs/dbraw/zinc/04/55/58/432045558.db2.gz LGXRGAIPVOLNEM-MOTZXUDYSA-N 0 3 324.424 3.353 50 0 DGAAHN CCCc1ccc(CN2CCC3(CC2)CCC(=O)N(C)CC3)o1 ZINC000067921495 432047042 /nfs/dbraw/zinc/04/70/42/432047042.db2.gz BTVSBKJTSGPFRL-UHFFFAOYSA-N 0 3 318.461 3.457 50 0 DGAAHN C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005463463 181246464 /nfs/dbraw/zinc/24/64/64/181246464.db2.gz WMYYHPMAVQTGFK-NWALNABHSA-N 0 3 301.264 3.152 50 0 DGAAHN CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1 ZINC000005719745 181276597 /nfs/dbraw/zinc/27/65/97/181276597.db2.gz 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/nfs/dbraw/zinc/15/10/51/201151051.db2.gz GWRCNGBDJGWAEQ-SFHVURJKSA-N 0 3 316.489 3.224 50 0 DGAAHN Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NCCN(C)C)c12 ZINC000006661247 181367378 /nfs/dbraw/zinc/36/73/78/181367378.db2.gz OZSMQSHZRFZZNR-UHFFFAOYSA-N 0 3 323.444 3.319 50 0 DGAAHN COc1cccc(C=O)c1OCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000006701185 181372760 /nfs/dbraw/zinc/37/27/60/181372760.db2.gz LCDJDLFCHXQJNR-GJZGRUSLSA-N 0 3 305.418 3.255 50 0 DGAAHN CCOc1cccc(CNC[C@H](C)O)c1OCc1ccccc1 ZINC000006704059 181375157 /nfs/dbraw/zinc/37/51/57/181375157.db2.gz SESZHNIELUZQLB-HNNXBMFYSA-N 0 3 315.413 3.135 50 0 DGAAHN CCOC(=O)[C@H]1CCCN(CCSc2ccc(C)cc2)C1 ZINC000006703272 181374459 /nfs/dbraw/zinc/37/44/59/181374459.db2.gz NCLDUOJVQKYKQU-HNNXBMFYSA-N 0 3 307.459 3.362 50 0 DGAAHN COCC[C@@]1(CO)CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000091326971 193040720 /nfs/dbraw/zinc/04/07/20/193040720.db2.gz BMCBCGHVKQFFLH-UMEYKSNOSA-N 0 3 303.446 3.201 50 0 DGAAHN COCC[C@]1(CO)CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000091326972 193040726 /nfs/dbraw/zinc/04/07/26/193040726.db2.gz BMCBCGHVKQFFLH-XEYRCQSKSA-N 0 3 303.446 3.201 50 0 DGAAHN CCC[C@@]1(CO)CCCN(c2ccc(CN3CCCC3)cn2)C1 ZINC000091915384 193126041 /nfs/dbraw/zinc/12/60/41/193126041.db2.gz IVBJTQDLTYVOQT-LJQANCHMSA-N 0 3 317.477 3.056 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)cc(Cl)c1)C2 ZINC000091997990 193139248 /nfs/dbraw/zinc/13/92/48/193139248.db2.gz QUSKHXGDVMCNJU-MLGOLLRUSA-N 0 3 324.827 3.426 50 0 DGAAHN C[C@@H](NC(=O)[C@@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2 ZINC000089905063 296094397 /nfs/dbraw/zinc/09/43/97/296094397.db2.gz WSOBWNKYEJGMLB-FZKQIMNGSA-N 0 3 300.446 3.083 50 0 DGAAHN CCc1nccn1[C@H]1CCCN(CCOc2ccccc2F)C1 ZINC000106216773 284044005 /nfs/dbraw/zinc/04/40/05/284044005.db2.gz JGWREDICEDDJMT-HNNXBMFYSA-N 0 3 317.408 3.301 50 0 DGAAHN c1cc(-c2cccnc2)oc1CN1CC[C@H](Oc2ccncc2)C1 ZINC000093865781 193321401 /nfs/dbraw/zinc/32/14/01/193321401.db2.gz OMTIXHVIJSZSAD-SFHVURJKSA-N 0 3 321.380 3.390 50 0 DGAAHN CC(C)[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000015549947 182006043 /nfs/dbraw/zinc/00/60/43/182006043.db2.gz SOILOFKVPKDXSH-LJQANCHMSA-N 0 3 307.397 3.181 50 0 DGAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cccnc2)CC1 ZINC000015855942 182021672 /nfs/dbraw/zinc/02/16/72/182021672.db2.gz DMRFRMSDTQCOPS-UHFFFAOYSA-N 0 3 315.461 3.133 50 0 DGAAHN Cc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000016607012 182053347 /nfs/dbraw/zinc/05/33/47/182053347.db2.gz UWDCUPOVYDFCSI-UHFFFAOYSA-N 0 3 300.446 3.266 50 0 DGAAHN COc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019359813 182118741 /nfs/dbraw/zinc/11/87/41/182118741.db2.gz LGRRBSQZIIRKFT-KRWDZBQOSA-N 0 3 300.446 3.169 50 0 DGAAHN CN1CCN(CCCOc2ccccc2-c2ccccc2)CC1 ZINC000019369473 182120273 /nfs/dbraw/zinc/12/02/73/182120273.db2.gz QMKIFIDETGWESG-UHFFFAOYSA-N 0 3 310.441 3.370 50 0 DGAAHN COc1ccc(CNCCc2cccc(F)c2)c(OC)c1C ZINC000019720846 182138136 /nfs/dbraw/zinc/13/81/36/182138136.db2.gz QGIKUXBFDRWKLZ-UHFFFAOYSA-N 0 3 303.377 3.484 50 0 DGAAHN COc1cccc(-c2[nH]nc3c2CN(Cc2ccncc2)CC3)c1 ZINC000020910591 182253321 /nfs/dbraw/zinc/25/33/21/182253321.db2.gz IZGNXLMPUOZTMU-UHFFFAOYSA-N 0 3 320.396 3.039 50 0 DGAAHN CC(C)CCN1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020781871 182246770 /nfs/dbraw/zinc/24/67/70/182246770.db2.gz ZHJATBXGHXAPRB-SFHVURJKSA-N 0 3 324.896 3.255 50 0 DGAAHN c1cc([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000020859279 182250181 /nfs/dbraw/zinc/25/01/81/182250181.db2.gz WCAYOUJHZMMTKE-HNNXBMFYSA-N 0 3 307.401 3.179 50 0 DGAAHN c1ccc(-c2noc([N-]CC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000021629805 182281212 /nfs/dbraw/zinc/28/12/12/182281212.db2.gz KWLHONXERMAZPU-UHFFFAOYSA-N 0 3 320.396 3.207 50 0 DGAAHN c1ccc(-c2noc([N-]CC[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000021629805 182281214 /nfs/dbraw/zinc/28/12/14/182281214.db2.gz KWLHONXERMAZPU-UHFFFAOYSA-N 0 3 320.396 3.207 50 0 DGAAHN CN(C)[C@@H](CNC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000021869645 182295724 /nfs/dbraw/zinc/29/57/24/182295724.db2.gz ROFGNFCRKGSAIU-KRWDZBQOSA-N 0 3 316.832 3.302 50 0 DGAAHN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000022014198 182303981 /nfs/dbraw/zinc/30/39/81/182303981.db2.gz QRRFZVBJAMOJFL-LJQANCHMSA-N 0 3 308.425 3.406 50 0 DGAAHN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)NCC2 ZINC000022405262 182320811 /nfs/dbraw/zinc/32/08/11/182320811.db2.gz OWLXVRYRDSZRJB-INIZCTEOSA-N 0 3 317.360 3.109 50 0 DGAAHN Cc1cccn2c(=O)cc(CN(C)[C@@H](C)c3ccccc3)nc12 ZINC000024685590 182387861 /nfs/dbraw/zinc/38/78/61/182387861.db2.gz WFCXWSLILGBDCQ-HNNXBMFYSA-N 0 3 307.397 3.196 50 0 DGAAHN COc1cccc([C@@H](CNc2ncnc3ccccc32)N(C)C)c1 ZINC000040004974 183027142 /nfs/dbraw/zinc/02/71/42/183027142.db2.gz FPOMPLTUTMIDKX-GOSISDBHSA-N 0 3 322.412 3.353 50 0 DGAAHN COc1cccc([C@H](CNc2ncnc3ccccc32)N(C)C)c1 ZINC000040004973 183027226 /nfs/dbraw/zinc/02/72/26/183027226.db2.gz FPOMPLTUTMIDKX-SFHVURJKSA-N 0 3 322.412 3.353 50 0 DGAAHN COc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1F ZINC000040009449 183027586 /nfs/dbraw/zinc/02/75/86/183027586.db2.gz YNLDZALTIXKTLV-GFCCVEGCSA-N 0 3 317.360 3.456 50 0 DGAAHN CCOc1c(CNCCCn2ccnc2)cc(Cl)cc1OC ZINC000039279949 183015879 /nfs/dbraw/zinc/01/58/79/183015879.db2.gz ABRKVHJJWZVUEF-UHFFFAOYSA-N 0 3 323.824 3.124 50 0 DGAAHN CC(C)N1CCN(Cc2cccc3ccccc32)C[C@H]1CCO ZINC000104335609 194000111 /nfs/dbraw/zinc/00/01/11/194000111.db2.gz NSMFVORCRHTDAV-LJQANCHMSA-N 0 3 312.457 3.117 50 0 DGAAHN O=C1CC[C@H](N[C@@H]2CCCSc3ccc(Cl)cc32)CN1 ZINC000095968069 284810520 /nfs/dbraw/zinc/81/05/20/284810520.db2.gz IIFKTVBSKKYWEM-WCQYABFASA-N 0 3 310.850 3.135 50 0 DGAAHN CCN1CCC(N(C(=O)c2cc3ccccc3[nH]2)C2CC2)CC1 ZINC000057371058 184036468 /nfs/dbraw/zinc/03/64/68/184036468.db2.gz IZLMAOQBDBWMLL-UHFFFAOYSA-N 0 3 311.429 3.257 50 0 DGAAHN CC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000058051264 184071222 /nfs/dbraw/zinc/07/12/22/184071222.db2.gz VRFZBJIQPMQNMG-KBPBESRZSA-N 0 3 317.433 3.274 50 0 DGAAHN CCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000058174377 184084312 /nfs/dbraw/zinc/08/43/12/184084312.db2.gz ZOGVRYKLJHDPNM-UHFFFAOYSA-N 0 3 304.312 3.254 50 0 DGAAHN COc1cccc(CNC[C@@H](O)c2ccc(Cl)cc2)c1OC ZINC000058232400 184092554 /nfs/dbraw/zinc/09/25/54/184092554.db2.gz RBZYYLDVCDOYDG-OAHLLOKOSA-N 0 3 321.804 3.180 50 0 DGAAHN O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC=CCC1 ZINC000058344339 184107269 /nfs/dbraw/zinc/10/72/69/184107269.db2.gz MQQULNOOCKMKIU-MRXNPFEDSA-N 0 3 318.486 3.433 50 0 DGAAHN CCN(C(=O)c1ccncc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060127900 184144524 /nfs/dbraw/zinc/14/45/24/184144524.db2.gz KOEHSYLEWCJSAR-LPHOPBHVSA-N 0 3 323.440 3.379 50 0 DGAAHN CCSCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062229899 184223982 /nfs/dbraw/zinc/22/39/82/184223982.db2.gz RDHMRSQCOVQHPW-KRWDZBQOSA-N 0 3 320.502 3.158 50 0 DGAAHN CCCN(Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000064590765 184301265 /nfs/dbraw/zinc/30/12/65/184301265.db2.gz KSUXUCICQDYZFV-UHFFFAOYSA-N 0 3 307.397 3.107 50 0 DGAAHN CN1CCC(NC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000065363895 184329035 /nfs/dbraw/zinc/32/90/35/184329035.db2.gz HVYPXXXGQIQVGQ-UHFFFAOYSA-N 0 3 302.462 3.127 50 0 DGAAHN CCSCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000065591281 184369878 /nfs/dbraw/zinc/36/98/78/184369878.db2.gz RDHMRSQCOVQHPW-QGZVFWFLSA-N 0 3 320.502 3.158 50 0 DGAAHN C[C@@H](O)CNCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000072713919 256546044 /nfs/dbraw/zinc/54/60/44/256546044.db2.gz ZBBDFMGANJJKFV-CYBMUJFWSA-N 0 3 313.426 3.071 50 0 DGAAHN C[C@H]1C[C@@H](N(C)Cc2cnns2)CCN1Cc1ccccc1 ZINC000289951484 221338193 /nfs/dbraw/zinc/33/81/93/221338193.db2.gz HYJXAMNXWZTSAS-HOCLYGCPSA-N 0 3 316.474 3.023 50 0 DGAAHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1ccc(Cl)cn1 ZINC000239882134 257259759 /nfs/dbraw/zinc/25/97/59/257259759.db2.gz DAMMBFGWLWZLTM-VHDGCEQUSA-N 0 3 309.841 3.036 50 0 DGAAHN Cc1[nH]c2ccccc2c1CN1CCN(c2ccccn2)CC1 ZINC000002490706 134449746 /nfs/dbraw/zinc/44/97/46/134449746.db2.gz ZAXKSLQZANTESC-UHFFFAOYSA-N 0 3 306.413 3.194 50 0 in-vitro DGAAHN Cc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000005600325 400088998 /nfs/dbraw/zinc/08/89/98/400088998.db2.gz FICKTBOMIPGRMD-ABFRBSLYSA-N 0 3 314.429 3.041 50 0 DGAAHN CC(C)[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000091280641 400110971 /nfs/dbraw/zinc/11/09/71/400110971.db2.gz UDWBKVRRRCNTON-IUODEOHRSA-N 0 3 315.866 3.061 50 0 DGAAHN Oc1ccc2c(c1)[C@@H](NC[C@@H]1COc3ccccc3O1)CCC2 ZINC000323075803 400176684 /nfs/dbraw/zinc/17/66/84/400176684.db2.gz XPQWPIYCNQHZBM-WBVHZDCISA-N 0 3 311.381 3.199 50 0 DGAAHN C[C@@H]1C[C@@H](NCc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027115 400274317 /nfs/dbraw/zinc/27/43/17/400274317.db2.gz JKTYSVSOUOJAQP-VQIMIIECSA-N 0 3 308.425 3.356 50 0 DGAAHN C[C@H]1C[C@@H](NCc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027116 400274601 /nfs/dbraw/zinc/27/46/01/400274601.db2.gz JKTYSVSOUOJAQP-QFBILLFUSA-N 0 3 308.425 3.356 50 0 DGAAHN CCCCCC(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000075415395 400584112 /nfs/dbraw/zinc/58/41/12/400584112.db2.gz PKVHBOSZGDHHKH-UHFFFAOYSA-N 0 3 318.461 3.205 50 0 DGAAHN COc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000162408897 400745278 /nfs/dbraw/zinc/74/52/78/400745278.db2.gz CRWYEIAFULYWPF-TZMCWYRMSA-N 0 3 301.390 3.414 50 0 DGAAHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CC(=O)N1CCCCCC1 ZINC000168220860 400756455 /nfs/dbraw/zinc/75/64/55/400756455.db2.gz ZNIQNNRUJOYQLZ-QWHCGFSZSA-N 0 3 307.438 3.123 50 0 DGAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000248162472 401067637 /nfs/dbraw/zinc/06/76/37/401067637.db2.gz YHKWPELUJJITLL-LSDHHAIUSA-N 0 3 304.459 3.324 50 0 DGAAHN Cc1cc(C)c(NC(=S)N[C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000066010822 401289054 /nfs/dbraw/zinc/28/90/54/401289054.db2.gz OUTBZHGJUFWRCA-LBPRGKRZSA-N 0 3 323.893 3.480 50 0 DGAAHN COc1ccc(/C=C\C(=O)O[C@H](C)CN2CCCCC2)cc1 ZINC000006007894 286268935 /nfs/dbraw/zinc/26/89/35/286268935.db2.gz SILLFJYUSYEXKG-MEODZPNASA-N 0 3 303.402 3.126 50 0 DGAAHN CCN1CCN(c2cccc(NC3CCSCC3)c2)CC1 ZINC000190968669 432207483 /nfs/dbraw/zinc/20/74/83/432207483.db2.gz SJTCBNZMHJTMLW-UHFFFAOYSA-N 0 3 305.491 3.136 50 0 DGAAHN Cn1c(CN[C@H]2CCC[C@H]2Cc2ccccc2)nnc1C1CC1 ZINC000191363059 432256081 /nfs/dbraw/zinc/25/60/81/432256081.db2.gz OKKSOYCFTJIBIJ-IRXDYDNUSA-N 0 3 310.445 3.194 50 0 DGAAHN O=C(c1ccsc1)N1CCCN(C[C@H]2CC=CCC2)CC1 ZINC000092149076 275014970 /nfs/dbraw/zinc/01/49/70/275014970.db2.gz OPFVAKMZALLSJB-HNNXBMFYSA-N 0 3 304.459 3.252 50 0 DGAAHN CC(=O)N1[C@H](NC2CCCCC2)C[C@@H](C)N1c1ccccc1 ZINC000012342298 275778180 /nfs/dbraw/zinc/77/81/80/275778180.db2.gz ZKJKFUBVDNZNIV-KDOFPFPSSA-N 0 3 301.434 3.297 50 0 DGAAHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncnc2c(C)csc21 ZINC000192671580 276234404 /nfs/dbraw/zinc/23/44/04/276234404.db2.gz QYHZJTNGZQZJGK-OLZOCXBDSA-N 0 3 302.447 3.063 50 0 DGAAHN CCN1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016580406 276359047 /nfs/dbraw/zinc/35/90/47/276359047.db2.gz YBOPXEJPNPRKRW-UHFFFAOYSA-N 0 3 304.478 3.193 50 0 DGAAHN CC(C)Oc1ccc([C@@H](C)NC(=O)C23CCCN2CCC3)cc1 ZINC000289634060 277701899 /nfs/dbraw/zinc/70/18/99/277701899.db2.gz ZXPWRHDQYRUPHS-OAHLLOKOSA-N 0 3 316.445 3.279 50 0 DGAAHN COc1cccc2c1CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000194570451 278028867 /nfs/dbraw/zinc/02/88/67/278028867.db2.gz SXLUMCNESXZFBR-UHFFFAOYSA-N 0 3 313.445 3.317 50 0 DGAAHN COc1ccccc1CN1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000019367712 278049308 /nfs/dbraw/zinc/04/93/08/278049308.db2.gz IMJWQTVSBYSWEY-WMZOPIPTSA-N 0 3 302.462 3.392 50 0 DGAAHN OC(c1cccs1)(c1cccs1)[C@H]1CN2CCC1CC2 ZINC000000038073 431114672 /nfs/dbraw/zinc/11/46/72/431114672.db2.gz CTYCSOSPTSAGHP-ZDUSSCGKSA-N 0 3 305.468 3.387 50 0 in-vitro DGAAHN C[C@H](CNC(=O)Nc1ccc(F)c(F)c1)N1CCCC[C@H]1C ZINC000252457159 279339141 /nfs/dbraw/zinc/33/91/41/279339141.db2.gz GMMFLFPYJXFBGZ-VXGBXAGGSA-N 0 3 311.376 3.349 50 0 DGAAHN C[C@H](Cc1cccs1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000130196877 279383338 /nfs/dbraw/zinc/38/33/38/279383338.db2.gz OKUCYYPYKYJHSF-WWGRRREGSA-N 0 3 302.443 3.131 50 0 DGAAHN O[C@@H](COc1ccc([C@@H]2C=CCC2)cc1)CN1CCCCC1 ZINC000000302646 431162678 /nfs/dbraw/zinc/16/26/78/431162678.db2.gz OOORMPLAZXXCBH-SJLPKXTDSA-N 0 3 301.430 3.346 50 0 DGAAHN C[C@H](Cn1cccn1)NCc1cccc(OCc2ccccn2)c1 ZINC000069375398 431179424 /nfs/dbraw/zinc/17/94/24/431179424.db2.gz DCLDWEUVKWGAML-MRXNPFEDSA-N 0 3 322.412 3.035 50 0 DGAAHN CO[C@@](C)(C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000069453725 431185691 /nfs/dbraw/zinc/18/56/91/431185691.db2.gz IXNITZKRAWJFGS-LJQANCHMSA-N 0 3 312.413 3.249 50 0 DGAAHN C[C@H](CN1CCCC1)OC(=O)c1ccccc1Br ZINC000000210676 431147857 /nfs/dbraw/zinc/14/78/57/431147857.db2.gz ZBHILYLZZIRLAD-LLVKDONJSA-N 0 3 312.207 3.090 50 0 DGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000000238436 431150580 /nfs/dbraw/zinc/15/05/80/431150580.db2.gz ZZCGZFNNNWWBHU-HNNXBMFYSA-N 0 3 308.853 3.420 50 0 DGAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000000240562 431151985 /nfs/dbraw/zinc/15/19/85/431151985.db2.gz FIBLKMIJVSJMCG-OAHLLOKOSA-N 0 3 308.853 3.420 50 0 DGAAHN CN1CCC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000000250448 431154811 /nfs/dbraw/zinc/15/48/11/431154811.db2.gz JOOITGNDMHFLJI-SFHVURJKSA-N 0 3 309.409 3.456 50 0 in-vitro 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302.374 3.356 50 0 DGAAHN Cc1ccc([C@H]2CCC[C@H]2N(C)Cc2cc(=O)c(O)co2)cc1 ZINC000075886578 431502431 /nfs/dbraw/zinc/50/24/31/431502431.db2.gz LFKQHZSRRJGRER-IAGOWNOFSA-N 0 3 313.397 3.422 50 0 DGAAHN CN(C(=O)C1=CCCC1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012429612 431511405 /nfs/dbraw/zinc/51/14/05/431511405.db2.gz GKCUBNAHIHSCHZ-IBGZPJMESA-N 0 3 312.457 3.262 50 0 DGAAHN O=C(NCCN1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000013326163 431551787 /nfs/dbraw/zinc/55/17/87/431551787.db2.gz KOBPKXNUSKPCDV-UHFFFAOYSA-N 0 3 301.217 3.209 50 0 DGAAHN CCOc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000013745498 431569473 /nfs/dbraw/zinc/56/94/73/431569473.db2.gz RSKJBRUTAHNYCL-UHFFFAOYSA-N 0 3 316.445 3.176 50 0 DGAAHN Cc1cc(C)cc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000013745530 431570262 /nfs/dbraw/zinc/57/02/62/431570262.db2.gz MKPFWLHUCIPIMV-UHFFFAOYSA-N 0 3 300.446 3.394 50 0 DGAAHN Cc1ccc(CN2CCC(CN(C)Cc3nccs3)CC2)o1 ZINC000015080792 431599752 /nfs/dbraw/zinc/59/97/52/431599752.db2.gz CDNHDCZNGOVDGY-UHFFFAOYSA-N 0 3 319.474 3.389 50 0 DGAAHN Fc1ccc(Oc2ncccc2CNC2CCOCC2)cc1F ZINC000015066793 431600825 /nfs/dbraw/zinc/60/08/25/431600825.db2.gz RWPZLTOLAVKHCT-UHFFFAOYSA-N 0 3 320.339 3.421 50 0 DGAAHN CCn1nc(C)c(CN2CCC(CCn3cccn3)CC2)c1C ZINC000077300397 431581920 /nfs/dbraw/zinc/58/19/20/431581920.db2.gz MXUIURXSRGBVEX-UHFFFAOYSA-N 0 3 315.465 3.019 50 0 DGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(OC)c1 ZINC000019957841 431621882 /nfs/dbraw/zinc/62/18/82/431621882.db2.gz QATSAZRBARWIJP-GOSISDBHSA-N 0 3 308.381 3.420 50 0 DGAAHN CN(C)Cn1cc(CCCC(=O)N2CCCC2)c2ccccc21 ZINC000020649329 431626443 /nfs/dbraw/zinc/62/64/43/431626443.db2.gz OZLSRIVVIOTVRY-UHFFFAOYSA-N 0 3 313.445 3.106 50 0 DGAAHN OC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023281361 431637069 /nfs/dbraw/zinc/63/70/69/431637069.db2.gz IHZUBCQZYLSFIX-IBGZPJMESA-N 0 3 311.425 3.470 50 0 DGAAHN Cc1ccsc1CN[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027221326 431686718 /nfs/dbraw/zinc/68/67/18/431686718.db2.gz BRBRIZZOOZQWPJ-NSHDSACASA-N 0 3 302.399 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401065098 /nfs/dbraw/zinc/06/50/98/401065098.db2.gz JSHQYXIKYNOEOR-HKUYNNGSSA-N 0 3 311.425 3.354 50 0 DGAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000248084234 401065194 /nfs/dbraw/zinc/06/51/94/401065194.db2.gz AYOGBIUIMSCALS-IAGOWNOFSA-N 0 3 315.392 3.006 50 0 DGAAHN Cc1nc(C(=O)Nc2ccccc2)c(C)n1C1CCN(C)CC1 ZINC000065257241 401260377 /nfs/dbraw/zinc/26/03/77/401260377.db2.gz GBSRDNYQWOVSRT-UHFFFAOYSA-N 0 3 312.417 3.019 50 0 DGAAHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NCc1cc(C(N)=O)cs1 ZINC000623607049 401555565 /nfs/dbraw/zinc/55/55/65/401555565.db2.gz VFAMAEFZANHMOB-GJZGRUSLSA-N 0 3 300.427 3.129 50 0 DGAAHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000247884712 432252099 /nfs/dbraw/zinc/25/20/99/432252099.db2.gz SIOJXURDYXCQRR-LMMKCTJWSA-N 0 3 314.473 3.483 50 0 DGAAHN COc1ccc([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)cc1 ZINC000000526546 274116894 /nfs/dbraw/zinc/11/68/94/274116894.db2.gz RQWIEAZGOSQJEN-SFHVURJKSA-N 0 3 308.381 3.420 50 0 biogenic DGAAHN NNc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000435215 274953750 /nfs/dbraw/zinc/95/37/50/274953750.db2.gz GWQBCZXRGIXGJY-UHFFFAOYSA-N 0 3 315.174 3.345 50 0 DGAAHN c1ccc(CN2CCC(N3CC(c4cccnc4)C3)CC2)cc1 ZINC000072159197 275066814 /nfs/dbraw/zinc/06/68/14/275066814.db2.gz DJFCRYMVQQXNKZ-UHFFFAOYSA-N 0 3 307.441 3.145 50 0 DGAAHN CN(C[C@@H]1CCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064449 431116747 /nfs/dbraw/zinc/11/67/47/431116747.db2.gz NPKQYXUTEDEBMG-COLVAYQJSA-N 0 3 316.228 3.062 50 0 DGAAHN Cc1cnn([C@H](C)[C@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000069491645 279034656 /nfs/dbraw/zinc/03/46/56/279034656.db2.gz RXEKBOQGXVCYPN-LSDHHAIUSA-N 0 3 315.417 3.092 50 0 DGAAHN CCOc1ccccc1CN1CCC(C(=O)N[C@@H](C)CC)CC1 ZINC000000299620 431163110 /nfs/dbraw/zinc/16/31/10/431163110.db2.gz OUSDROFTWHVKMI-HNNXBMFYSA-N 0 3 318.461 3.212 50 0 DGAAHN Cc1ccc([C@@H](O)CN2c3ccccc3N3CCCN=C23)cc1 ZINC000000315384 431164952 /nfs/dbraw/zinc/16/49/52/431164952.db2.gz CBPRZKPZYKCRCR-SFHVURJKSA-N 0 3 307.397 3.115 50 0 DGAAHN Cc1cccc(-c2n[nH]cc2CN[C@@H](C)[C@@H](C)n2cccn2)c1 ZINC000069368402 431181213 /nfs/dbraw/zinc/18/12/13/431181213.db2.gz FZNBUMQHKSPRAQ-LSDHHAIUSA-N 0 3 309.417 3.321 50 0 DGAAHN Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000000448291 431183932 /nfs/dbraw/zinc/18/39/32/431183932.db2.gz YEBQOZKWVDRCKW-LJQANCHMSA-N 0 3 311.425 3.101 50 0 DGAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2c[nH]nc2-c2cccs2)c1 ZINC000069463577 431188500 /nfs/dbraw/zinc/18/85/00/431188500.db2.gz PKSOPHXPQJZRPH-STQMWFEESA-N 0 3 315.446 3.382 50 0 DGAAHN Cc1nc(C)c(-c2nnc(SC[C@@H]3CCCN(C)C3)o2)s1 ZINC000069484280 431189033 /nfs/dbraw/zinc/18/90/33/431189033.db2.gz CDBWXZFCWCBVER-LLVKDONJSA-N 0 3 324.475 3.244 50 0 DGAAHN CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000205835 431144937 /nfs/dbraw/zinc/14/49/37/431144937.db2.gz LMPRIQDIYLUDPZ-UHFFFAOYSA-N 0 3 319.408 3.193 50 0 DGAAHN C[C@@H]1CCC[C@H](N2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000000239741 431150203 /nfs/dbraw/zinc/15/02/03/431150203.db2.gz LJHBSECKCFHWQS-PBHICJAKSA-N 0 3 304.409 3.162 50 0 DGAAHN CC(=O)c1c(C)nn2c3ccccc3n(CCN3CCCCC3)c12 ZINC000000268640 431155982 /nfs/dbraw/zinc/15/59/82/431155982.db2.gz UTLMSOLBLSCKJE-UHFFFAOYSA-N 0 3 324.428 3.286 50 0 DGAAHN Cc1ccccc1CN1CCCN(Cc2cscn2)CC1 ZINC000069655716 431209863 /nfs/dbraw/zinc/20/98/63/431209863.db2.gz CJWGSIQFJPZRGW-UHFFFAOYSA-N 0 3 301.459 3.159 50 0 DGAAHN CCNC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 ZINC000046078207 279497323 /nfs/dbraw/zinc/49/73/23/279497323.db2.gz QNKJVYPTMSEFCD-UHFFFAOYSA-N 0 3 305.813 3.085 50 0 DGAAHN CCSCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000069808806 431221412 /nfs/dbraw/zinc/22/14/12/431221412.db2.gz QAJUPUOKCWLUHR-UHFFFAOYSA-N 0 3 321.490 3.274 50 0 DGAAHN CCCN1CCC(N(C(=O)c2ccc(Cl)nc2)C2CC2)CC1 ZINC000001741552 431238280 /nfs/dbraw/zinc/23/82/80/431238280.db2.gz WCLFZKSOYFBJHJ-UHFFFAOYSA-N 0 3 321.852 3.214 50 0 DGAAHN CCOC(=O)CCCC(=O)c1ccc(CN2CCCC2)cc1 ZINC000002514597 431254041 /nfs/dbraw/zinc/25/40/41/431254041.db2.gz BDZZGBACQGNQRO-UHFFFAOYSA-N 0 3 303.402 3.199 50 0 DGAAHN Cc1ncc2c(c1CNc1nccc(C3CCCC3)n1)CCNC2 ZINC000071776397 431287542 /nfs/dbraw/zinc/28/75/42/431287542.db2.gz CTGPNYULPXIHPZ-UHFFFAOYSA-N 0 3 323.444 3.095 50 0 DGAAHN CC[C@@H](OC1CCCC1)C(=O)NC1CCN(CC=C(C)C)CC1 ZINC000071903940 431313807 /nfs/dbraw/zinc/31/38/07/431313807.db2.gz KLHVYEZFBZFFPY-GOSISDBHSA-N 0 3 322.493 3.271 50 0 DGAAHN COc1cc(OC)c(OC)cc1CNCCc1ccccc1 ZINC000002768389 431267037 /nfs/dbraw/zinc/26/70/37/431267037.db2.gz OEGUCRZIKIYSIW-UHFFFAOYSA-N 0 3 301.386 3.045 50 0 DGAAHN COc1cccc(CNC[C@@H](C)O)c1OCc1ccc(C)cc1 ZINC000006745277 431318186 /nfs/dbraw/zinc/31/81/86/431318186.db2.gz FHEGGUHCJAUKRW-OAHLLOKOSA-N 0 3 315.413 3.053 50 0 DGAAHN Cc1ccccc1N1CCCN(Cc2cnn(C)c2C2CC2)CC1 ZINC000072168789 431330814 /nfs/dbraw/zinc/33/08/14/431330814.db2.gz FOENNCDNEUHXKF-UHFFFAOYSA-N 0 3 324.472 3.318 50 0 DGAAHN O=C1NC[C@@]2(CCCN(Cc3ccccc3-c3ccccc3)C2)O1 ZINC000072127191 431331354 /nfs/dbraw/zinc/33/13/54/431331354.db2.gz JDPJJDHIAHZHKY-HXUWFJFHSA-N 0 3 322.408 3.428 50 0 DGAAHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C12CCCC2 ZINC000072304617 431336215 /nfs/dbraw/zinc/33/62/15/431336215.db2.gz NZFXPUOGANSHAT-IXDOHACOSA-N 0 3 322.493 3.105 50 0 DGAAHN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000007358919 431342932 /nfs/dbraw/zinc/34/29/32/431342932.db2.gz IZEXBMZTKSAMGK-HZPDHXFCSA-N 0 3 315.461 3.203 50 0 DGAAHN O=C(CN1CCC[C@H]1Cc1ccccc1)N1CCc2ccccc21 ZINC000012819863 431532367 /nfs/dbraw/zinc/53/23/67/431532367.db2.gz CWMIPOGRXBTDLB-IBGZPJMESA-N 0 3 320.436 3.283 50 0 DGAAHN C[C@@H](NC(=O)C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000012383840 431506191 /nfs/dbraw/zinc/50/61/91/431506191.db2.gz INUZTRBKMODGOA-MRXNPFEDSA-N 0 3 323.440 3.171 50 0 DGAAHN CCOc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000013745281 431568633 /nfs/dbraw/zinc/56/86/33/431568633.db2.gz BJQHDOBXICPNBY-UHFFFAOYSA-N 0 3 316.445 3.176 50 0 DGAAHN Cc1ccccc1C[C@]1(CO)CCCN(Cc2ccccn2)C1 ZINC000015076270 431601307 /nfs/dbraw/zinc/60/13/07/431601307.db2.gz QHNZHHSPBCNOFV-HXUWFJFHSA-N 0 3 310.441 3.207 50 0 DGAAHN Cc1[nH]cnc1-c1nccn1C[C@@H](c1ccco1)N1CCCC1 ZINC000077354246 431585960 /nfs/dbraw/zinc/58/59/60/431585960.db2.gz ATTJKKXPAAXFFX-AWEZNQCLSA-N 0 3 311.389 3.012 50 0 DGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(OC)c1 ZINC000019957837 431622458 /nfs/dbraw/zinc/62/24/58/431622458.db2.gz QATSAZRBARWIJP-SFHVURJKSA-N 0 3 308.381 3.420 50 0 DGAAHN Cc1c(C)n(C[C@@H](O)CNCc2ccco2)c2ccc(C)cc12 ZINC000028297070 431705726 /nfs/dbraw/zinc/70/57/26/431705726.db2.gz IVBSGDHIIAXBHH-INIZCTEOSA-N 0 3 312.413 3.310 50 0 DGAAHN Clc1ccc(CNCc2ccnc(-n3cccn3)c2)s1 ZINC000030900984 431747625 /nfs/dbraw/zinc/74/76/25/431747625.db2.gz DCSMBIAXXUXASF-UHFFFAOYSA-N 0 3 304.806 3.272 50 0 DGAAHN CN(Cc1cc(=O)n2cc(Cl)ccc2n1)CC1CCCCC1 ZINC000029455258 431722416 /nfs/dbraw/zinc/72/24/16/431722416.db2.gz FRJXQCZORDKJIM-UHFFFAOYSA-N 0 3 319.836 3.360 50 0 DGAAHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000032806016 431793191 /nfs/dbraw/zinc/79/31/91/431793191.db2.gz LPIUXADZGWPPLD-LBPRGKRZSA-N 0 3 317.360 3.472 50 0 DGAAHN Cc1ccc(C[C@H]2CCCN([C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000084148785 431817521 /nfs/dbraw/zinc/81/75/21/431817521.db2.gz FXQKLJFGBGTUDV-QUCCMNQESA-N 0 3 322.452 3.476 50 0 DGAAHN COc1ccc(OC)c(CCNCc2ccccc2OC)c1 ZINC000032186044 431773834 /nfs/dbraw/zinc/77/38/34/431773834.db2.gz RMLXCDMTGWSEOU-UHFFFAOYSA-N 0 3 301.386 3.045 50 0 in-vitro DGAAHN Cc1ccsc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000036717819 431840589 /nfs/dbraw/zinc/84/05/89/431840589.db2.gz ZFZCXIKDRCOXBP-UHFFFAOYSA-N 0 3 302.443 3.308 50 0 DGAAHN Cc1cc(N2CCN(Cc3cccnc3)CC2)c2ccccc2n1 ZINC000040047101 431855597 /nfs/dbraw/zinc/85/55/97/431855597.db2.gz RUGKVTWUPUYPJS-UHFFFAOYSA-N 0 3 318.424 3.260 50 0 DGAAHN C[C@H]1CCCCN1CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040107537 431857250 /nfs/dbraw/zinc/85/72/50/431857250.db2.gz RUEIMMIMMQVANF-ISOUWHGUSA-N 0 3 304.478 3.193 50 0 DGAAHN CC(C)c1cc(CNC2CCN(C(=O)CC(C)(C)C)CC2)on1 ZINC000089155216 431860826 /nfs/dbraw/zinc/86/08/26/431860826.db2.gz DOGBHTBFKWSWHC-UHFFFAOYSA-N 0 3 321.465 3.315 50 0 DGAAHN COc1cc(NCCNCc2cc(C)oc2C)cc(OC)c1 ZINC000123357430 431862578 /nfs/dbraw/zinc/86/25/78/431862578.db2.gz IKGRJFWTZLOSSE-UHFFFAOYSA-N 0 3 304.390 3.115 50 0 DGAAHN Cc1cc([C@H](C)NC(=O)N2CC[C@H](N3CCCC3)C2)c(C)s1 ZINC000089582347 431870337 /nfs/dbraw/zinc/87/03/37/431870337.db2.gz NXLSNWPXICPBOX-ZFWWWQNUSA-N 0 3 321.490 3.306 50 0 DGAAHN CC(C)CC(=O)Nc1cccc(CNCC2=CCCOC2)c1 ZINC000084456682 431825551 /nfs/dbraw/zinc/82/55/51/431825551.db2.gz UQPBCQPQVKSPMS-UHFFFAOYSA-N 0 3 302.418 3.108 50 0 DGAAHN Cc1ccc(CN(C[C@H](O)COc2ccccc2)C2CC2)cc1 ZINC000036101850 431834972 /nfs/dbraw/zinc/83/49/72/431834972.db2.gz CJMPCEUEJMEFOC-IBGZPJMESA-N 0 3 311.425 3.399 50 0 DGAAHN CCCN(Cc1ccsc1)C[C@H](O)COCc1ccco1 ZINC000036099477 431836186 /nfs/dbraw/zinc/83/61/86/431836186.db2.gz JRHPDTIFWBGBIH-HNNXBMFYSA-N 0 3 309.431 3.131 50 0 DGAAHN Cc1cc(C(F)(F)F)nc(N[C@H](C)CN2CCCCC2)n1 ZINC000036613467 431839764 /nfs/dbraw/zinc/83/97/64/431839764.db2.gz SWPJWYGFIJCMEZ-LLVKDONJSA-N 0 3 302.344 3.090 50 0 DGAAHN COc1cc(CNCc2ccc(C)s2)cc2c1OCCO2 ZINC000047798571 431915595 /nfs/dbraw/zinc/91/55/95/431915595.db2.gz FVSKBPBZCRRDQV-UHFFFAOYSA-N 0 3 305.399 3.126 50 0 DGAAHN C[S@](=O)c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000093666199 431917209 /nfs/dbraw/zinc/91/72/09/431917209.db2.gz YQMAHJOJHLKLEV-HTAPYJJXSA-N 0 3 321.486 3.348 50 0 DGAAHN C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000048288926 431922116 /nfs/dbraw/zinc/92/21/16/431922116.db2.gz ZNWWVKUUXAAAMO-MAUKXSAKSA-N 0 3 318.436 3.091 50 0 DGAAHN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccs1 ZINC000095348761 431922228 /nfs/dbraw/zinc/92/22/28/431922228.db2.gz YJLIYSTYDMDGIF-NSHDSACASA-N 0 3 302.378 3.319 50 0 DGAAHN Cc1ccc(CN2CCC(CNc3nnc(C4CC4)o3)CC2)o1 ZINC000095358550 431922971 /nfs/dbraw/zinc/92/29/71/431922971.db2.gz KIUAADXZAWLHIN-UHFFFAOYSA-N 0 3 316.405 3.173 50 0 DGAAHN Cc1cccc(CC2(NC(=O)[C@@H]3CCCCCN3C)CC2)c1 ZINC000095359690 431923330 /nfs/dbraw/zinc/92/33/30/431923330.db2.gz QFAHAIYIRSZLBJ-KRWDZBQOSA-N 0 3 300.446 3.061 50 0 DGAAHN C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(F)c1 ZINC000048332663 431923635 /nfs/dbraw/zinc/92/36/35/431923635.db2.gz SVHDNIQVGLIDPQ-GFCCVEGCSA-N 0 3 314.339 3.396 50 0 DGAAHN c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 ZINC000095371468 431924064 /nfs/dbraw/zinc/92/40/64/431924064.db2.gz QETMXNZAKPHHHV-VQTJNVASSA-N 0 3 307.441 3.178 50 0 DGAAHN CCC(=O)N1CC[C@H](N[C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000095423858 431924742 /nfs/dbraw/zinc/92/47/42/431924742.db2.gz MNASTBWLNFVINY-LXIYXOSZSA-N 0 3 304.409 3.050 50 0 DGAAHN Cc1cccc([C@@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)c1 ZINC000048354101 431924966 /nfs/dbraw/zinc/92/49/66/431924966.db2.gz YYKCVKUINFMAOF-WMZOPIPTSA-N 0 3 300.446 3.390 50 0 DGAAHN Cc1ccc(OC[C@@H](C)NCc2ccc([S@](C)=O)cc2)cc1 ZINC000095409634 431925284 /nfs/dbraw/zinc/92/52/84/431925284.db2.gz MUUWVHMSAOPYSV-IVZQSRNASA-N 0 3 317.454 3.290 50 0 DGAAHN Cc1nc(Cl)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000089708990 431876409 /nfs/dbraw/zinc/87/64/09/431876409.db2.gz CDCLRFAWJNZEKQ-CZUORRHYSA-N 0 3 302.809 3.296 50 0 DGAAHN C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(Cl)nc1 ZINC000089905007 431884615 /nfs/dbraw/zinc/88/46/15/431884615.db2.gz WDBWGKGXRJFJCF-GFCCVEGCSA-N 0 3 313.792 3.167 50 0 DGAAHN CC[C@H](C)NC(=O)CCNCc1cc(Cl)cc2cccnc21 ZINC000089942285 431887544 /nfs/dbraw/zinc/88/75/44/431887544.db2.gz DRDSXCIBHOYVTQ-LBPRGKRZSA-N 0 3 319.836 3.283 50 0 DGAAHN Cc1cncc(C(=O)OC2CCN(Cc3ccsc3)CC2)c1 ZINC000095426601 431925664 /nfs/dbraw/zinc/92/56/64/431925664.db2.gz OZBFUIKNZPJGGQ-UHFFFAOYSA-N 0 3 316.426 3.273 50 0 DGAAHN CC(=O)Nc1cccc([C@@H](C)NC[C@]2(O)CCc3ccccc32)c1 ZINC000090780105 431894455 /nfs/dbraw/zinc/89/44/55/431894455.db2.gz DOGDSMWIVWTNCD-JLTOFOAXSA-N 0 3 324.424 3.130 50 0 DGAAHN CC[C@@H](C(=O)N1CCCSC[C@H]1CN(C)C)c1ccccc1 ZINC000090699975 431894571 /nfs/dbraw/zinc/89/45/71/431894571.db2.gz HDTOKXPIDQQWLZ-IAGOWNOFSA-N 0 3 320.502 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319.426 3.121 50 0 DGAAHN C[C@@H](CN[C@@H](C)CS(C)(=O)=O)c1c(Cl)cccc1Cl ZINC000095985005 431931386 /nfs/dbraw/zinc/93/13/86/431931386.db2.gz QMGNNEWPOKDKFS-UWVGGRQHSA-N 0 3 324.273 3.120 50 0 DGAAHN OCc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000095982388 431932240 /nfs/dbraw/zinc/93/22/40/431932240.db2.gz GXZSFTPODAKSSS-ZDUSSCGKSA-N 0 3 311.385 3.028 50 0 DGAAHN Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000095988586 431932376 /nfs/dbraw/zinc/93/23/76/431932376.db2.gz PAPYFBBALJDCJH-SJORKVTESA-N 0 3 304.340 3.288 50 0 DGAAHN Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000095988587 431932761 /nfs/dbraw/zinc/93/27/61/431932761.db2.gz PAPYFBBALJDCJH-IRXDYDNUSA-N 0 3 304.340 3.288 50 0 DGAAHN Cc1ncsc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000095988582 431932781 /nfs/dbraw/zinc/93/27/81/431932781.db2.gz FZHJYTKKDWGFRJ-HIFRSBDPSA-N 0 3 310.369 3.350 50 0 DGAAHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000096012322 431934222 /nfs/dbraw/zinc/93/42/22/431934222.db2.gz 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ZINC000097200809 431964640 /nfs/dbraw/zinc/96/46/40/431964640.db2.gz UNYVGTDKUPXPCX-AWEZNQCLSA-N 0 3 302.447 3.089 50 0 DGAAHN Cc1cccn2c(=O)cc(CN3CC[C@@H]4CCCC[C@H]4C3)nc12 ZINC000252452511 432375973 /nfs/dbraw/zinc/37/59/73/432375973.db2.gz MPTQRAIMBWSTCP-HOTGVXAUSA-N 0 3 311.429 3.015 50 0 DGAAHN CCOc1ccccc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000252452459 432376584 /nfs/dbraw/zinc/37/65/84/432376584.db2.gz JXDFYUGHXZFLOQ-HUUCEWRRSA-N 0 3 319.449 3.470 50 0 DGAAHN CCN1CCC[C@H]1CNC(=S)N[C@H]1CCCc2ccccc21 ZINC000252452954 432376921 /nfs/dbraw/zinc/37/69/21/432376921.db2.gz QKFCKSODGLQKOW-RDJZCZTQSA-N 0 3 317.502 3.012 50 0 DGAAHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1 ZINC000252553207 432383136 /nfs/dbraw/zinc/38/31/36/432383136.db2.gz VHQHEQNRFPSJPC-SNRMKQJTSA-N 0 3 323.440 3.049 50 0 DGAAHN CS[C@@H]1CCC[C@@H](N[C@H](c2nccn2C)C2CCOCC2)C1 ZINC000253420681 432395323 /nfs/dbraw/zinc/39/53/23/432395323.db2.gz ZSFDLGCGBRBNOT-OAGGEKHMSA-N 0 3 323.506 3.152 50 0 DGAAHN COc1cc([C@H](C)NC[C@@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417293 432396193 /nfs/dbraw/zinc/39/61/93/432396193.db2.gz XIJDQQWNWWUYGH-YVEFUNNKSA-N 0 3 307.365 3.294 50 0 DGAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cnn(-c3ccccc3)c2)c1 ZINC000069531723 281695434 /nfs/dbraw/zinc/69/54/34/281695434.db2.gz CJQDCANRCSOHSR-CVEARBPZSA-N 0 3 309.417 3.117 50 0 DGAAHN CC1CCN(C[C@@H]2CCCCCN2C(=O)c2ccoc2)CC1 ZINC000257179952 432416116 /nfs/dbraw/zinc/41/61/16/432416116.db2.gz DBNJCBYZXVRTSL-KRWDZBQOSA-N 0 3 304.434 3.396 50 0 DGAAHN O=C1NCCCCCCN(Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000257182040 432417113 /nfs/dbraw/zinc/41/71/13/432417113.db2.gz OKPZGFFGHZIRKV-MSOLQXFVSA-N 0 3 300.446 3.348 50 0 DGAAHN CNCC(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 ZINC000195543416 432626460 /nfs/dbraw/zinc/62/64/60/432626460.db2.gz BKRUMMJGSSZYKC-UHFFFAOYSA-N 0 3 302.399 3.004 50 0 DGAAHN COc1ccc([C@H](C)CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000195550302 432628537 /nfs/dbraw/zinc/62/85/37/432628537.db2.gz WDQKSRAIFPRSEX-DQEVTTJGSA-N 0 3 319.445 3.067 50 0 DGAAHN Cc1nccn1CCN(C)Cc1c(C)cc(C)cc1-n1cccn1 ZINC000215265761 432643720 /nfs/dbraw/zinc/64/37/20/432643720.db2.gz UPCIPBIBXYOXIQ-UHFFFAOYSA-N 0 3 323.444 3.126 50 0 DGAAHN CN(C)Cc1csc(CN(C)Cc2cc(C3CC3)n[nH]2)c1 ZINC000215921012 432644738 /nfs/dbraw/zinc/64/47/38/432644738.db2.gz UDINHTSKWXWONM-UHFFFAOYSA-N 0 3 304.463 3.042 50 0 DGAAHN CN(C)Cc1csc(CN(C)Cc2cc(C3CC3)[nH]n2)c1 ZINC000215921012 432644739 /nfs/dbraw/zinc/64/47/39/432644739.db2.gz UDINHTSKWXWONM-UHFFFAOYSA-N 0 3 304.463 3.042 50 0 DGAAHN Clc1cncc(Cl)c1CN1CCC(c2ccn[nH]2)CC1 ZINC000216070384 432646404 /nfs/dbraw/zinc/64/64/04/432646404.db2.gz SSPRMCYLBMDAOE-UHFFFAOYSA-N 0 3 311.216 3.491 50 0 DGAAHN CN(Cc1cnc2ccccn12)C[C@]1(c2ccccc2)CCOC1 ZINC000216062400 432646975 /nfs/dbraw/zinc/64/69/75/432646975.db2.gz OJARIVLABQMCII-HXUWFJFHSA-N 0 3 321.424 3.124 50 0 DGAAHN COc1ccc(CN(C)Cc2ccnc(C)c2)cc1CN(C)C ZINC000216137933 432647097 /nfs/dbraw/zinc/64/70/97/432647097.db2.gz JLZCDSRUPOJULB-UHFFFAOYSA-N 0 3 313.445 3.092 50 0 DGAAHN Cc1nc2c(s1)[C@H](N[C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000096476814 282046258 /nfs/dbraw/zinc/04/62/58/282046258.db2.gz UCKITJSSOUWCIV-CMPLNLGQSA-N 0 3 319.396 3.055 50 0 DGAAHN CCS[C@@H]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)C1 ZINC000225476604 432692632 /nfs/dbraw/zinc/69/26/32/432692632.db2.gz BBAAIUQOKDURTP-XHSDSOJGSA-N 0 3 306.475 3.209 50 0 DGAAHN Cc1cc(C)n(CCN2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000265663010 432719056 /nfs/dbraw/zinc/71/90/56/432719056.db2.gz SWWBRMRBJSXZNM-UHFFFAOYSA-N 0 3 321.428 3.166 50 0 DGAAHN CC[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1cccs1 ZINC000230134078 432725102 /nfs/dbraw/zinc/72/51/02/432725102.db2.gz KXKHZAAAJIBRJR-SOUVJXGZSA-N 0 3 321.490 3.325 50 0 DGAAHN CN1CC[C@@H](CSc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000187651463 432673795 /nfs/dbraw/zinc/67/37/95/432673795.db2.gz KCTILQZMHRRWFY-LLVKDONJSA-N 0 3 322.865 3.179 50 0 DGAAHN Cc1noc(C)c1CCCNCc1ccc(Br)o1 ZINC000225386439 432689685 /nfs/dbraw/zinc/68/96/85/432689685.db2.gz RGEPATKIUZWLHY-UHFFFAOYSA-N 0 3 313.195 3.369 50 0 DGAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000241287519 432816209 /nfs/dbraw/zinc/81/62/09/432816209.db2.gz LMDQSOYCBOGPBR-IQRFUGTFSA-N 0 3 312.457 3.059 50 0 DGAAHN CCc1nccn1CCN1CCC(OCc2ccccc2)CC1 ZINC000244741915 432821769 /nfs/dbraw/zinc/82/17/69/432821769.db2.gz NYZQRXVYKXOCLJ-UHFFFAOYSA-N 0 3 313.445 3.127 50 0 DGAAHN Cc1nc[nH]c1CN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000244633344 432822514 /nfs/dbraw/zinc/82/25/14/432822514.db2.gz GBGBVBWOXUANIB-MRXNPFEDSA-N 0 3 313.380 3.461 50 0 DGAAHN CCCCOc1c(CN2CCCN(C)C[C@H]2C)cccc1OC ZINC000244840307 432824151 /nfs/dbraw/zinc/82/41/51/432824151.db2.gz UKSNOEPBNLXSGF-MRXNPFEDSA-N 0 3 320.477 3.400 50 0 DGAAHN CCN(CCN(C)C)C(=O)Nc1cccc(-n2cccc2)c1C ZINC000299784713 433381706 /nfs/dbraw/zinc/38/17/06/433381706.db2.gz OUJHWSMNYYYBKI-UHFFFAOYSA-N 0 3 314.433 3.201 50 0 DGAAHN COCCCNCc1cc2ccc(SC)cc2nc1N(C)C ZINC000299768956 433383007 /nfs/dbraw/zinc/38/30/07/433383007.db2.gz HIANUJIKSGWUBJ-UHFFFAOYSA-N 0 3 319.474 3.149 50 0 DGAAHN CCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ncccc2C)c1 ZINC000299793474 433387314 /nfs/dbraw/zinc/38/73/14/433387314.db2.gz HYZHOWOGEUDIIE-GOSISDBHSA-N 0 3 323.440 3.271 50 0 DGAAHN Fc1ccc(OCCN2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC000342004075 433410351 /nfs/dbraw/zinc/41/03/51/433410351.db2.gz YHMAJDXWWBXHHC-INIZCTEOSA-N 0 3 313.800 3.360 50 0 DGAAHN C[C@@H](c1cccc(-c2nc(N(C)C)ns2)c1)N1CCCC1 ZINC000426537738 433525875 /nfs/dbraw/zinc/52/58/75/433525875.db2.gz SFWXKUPIZWKMJK-LBPRGKRZSA-N 0 3 302.447 3.428 50 0 DGAAHN COc1cccc(C2CCN(Cc3[nH]ncc3C)CC2)c1F ZINC000368226285 293106445 /nfs/dbraw/zinc/10/64/45/293106445.db2.gz NDXHUJJFOWMZAH-UHFFFAOYSA-N 0 3 303.381 3.245 50 0 DGAAHN CCn1nnc(C)c1CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000408519418 434584094 /nfs/dbraw/zinc/58/40/94/434584094.db2.gz LXDCFKUNINNJBR-QGZVFWFLSA-N 0 3 302.422 3.102 50 0 DGAAHN CC(=O)N(C[C@@H]1CCCN1CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000408524877 434586704 /nfs/dbraw/zinc/58/67/04/434586704.db2.gz DMCVHKXXXUUHSR-JSGCOSHPSA-N 0 3 319.276 3.046 50 0 DGAAHN Cc1ccnc(-c2nnc([C@@H](C)[NH2+][C@@H](C)C3CC(F)(F)C3)[n-]2)c1 ZINC000529555315 313226610 /nfs/dbraw/zinc/22/66/10/313226610.db2.gz OCAPPDJTVXWDES-WDEREUQCSA-N 0 3 321.375 3.260 50 0 DGAAHN CC[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1cccnc1 ZINC000534658098 334314715 /nfs/dbraw/zinc/31/47/15/334314715.db2.gz WXRIRCNGSFDAMP-MRXNPFEDSA-N 0 3 301.434 3.058 50 0 DGAAHN Cc1cccc(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000198912342 524349142 /nfs/dbraw/zinc/34/91/42/524349142.db2.gz VDNFXWXQGJUZHD-LJQANCHMSA-N 0 3 310.441 3.347 50 0 DGAAHN O=C1C[C@@H](NCc2cccc3cccnc32)CN1c1ccccc1 ZINC000084549414 545790249 /nfs/dbraw/zinc/79/02/49/545790249.db2.gz IUTTWUULMURZGT-QGZVFWFLSA-N 0 3 317.392 3.130 50 0 DGAAHN COc1ccc(CN2CCCC[C@H]2CCc2ccccn2)cn1 ZINC000215115989 546261652 /nfs/dbraw/zinc/26/16/52/546261652.db2.gz XKVWVRXFEQUOJM-SFHVURJKSA-N 0 3 311.429 3.473 50 0 DGAAHN CN(Cc1cc(-c2ccccn2)no1)C1Cc2ccccc2C1 ZINC000670466075 547758412 /nfs/dbraw/zinc/75/84/12/547758412.db2.gz TVEMGXAMTXJJOY-UHFFFAOYSA-N 0 3 305.381 3.336 50 0 DGAAHN OC[C@]1(NCc2ccc3cnccc3c2)CCc2ccccc21 ZINC000683773510 549534394 /nfs/dbraw/zinc/53/43/94/549534394.db2.gz DNZPKAORJHZDTM-HXUWFJFHSA-N 0 3 304.393 3.158 50 0 DGAAHN Cc1cc(C(=O)NC[C@@H](N)c2ccccc2)c2ccc(F)cc2n1 ZINC000170048247 563902898 /nfs/dbraw/zinc/90/28/98/563902898.db2.gz VDJPCUIMOOWGKY-QGZVFWFLSA-N 0 3 323.371 3.112 50 0 DGAAHN Cc1ccoc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000239722615 568416896 /nfs/dbraw/zinc/41/68/96/568416896.db2.gz CDTXACRBCPQARF-UKRRQHHQSA-N 0 3 318.442 3.462 50 0 DGAAHN O[C@H](c1ccc2c(c1)CNCCO2)c1c(F)cccc1Cl ZINC000299757044 656224790 /nfs/dbraw/zinc/22/47/90/656224790.db2.gz HUTKLSAATYVESI-MRXNPFEDSA-N 0 3 307.752 3.043 50 0 DGAAHN COc1cc2c(c(CN(C)CCc3ccncc3)c1)O[C@H](C)C2 ZINC000183758130 660135850 /nfs/dbraw/zinc/13/58/50/660135850.db2.gz SVPAIPGVHBIVFA-CQSZACIVSA-N 0 3 312.413 3.088 50 0 DGAAHN Cc1n[nH]c(CNC2CCN(c3cccc(C)c3)CC2)c1Cl ZINC000952973667 662209290 /nfs/dbraw/zinc/20/92/90/662209290.db2.gz FQQVVJWZZPPYFK-UHFFFAOYSA-N 0 3 318.852 3.439 50 0 DGAAHN Cc1[nH]ncc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000092972947 662342510 /nfs/dbraw/zinc/34/25/10/662342510.db2.gz OWMHMWRUHZNAJI-HNNXBMFYSA-N 0 3 309.772 3.084 50 0 DGAAHN Cc1ccccc1[C@@]1(O)CCN(Cc2ccnc(C(C)C)n2)C1 ZINC000071752866 685058758 /nfs/dbraw/zinc/05/87/58/685058758.db2.gz AUCXTWOMBPQUBY-LJQANCHMSA-N 0 3 311.429 3.002 50 0 DGAAHN COc1ccc(OC)c([C@H](C)NC2CSCCSC2)c1 ZINC001506422229 1186226247 /nfs/dbraw/zinc/22/62/47/1186226247.db2.gz PSVUGRGRCJKMJB-NSHDSACASA-N 0 3 313.488 3.203 50 0 DGAAHN CC[C@@H](C(=O)NCc1c(OC)ccc2ccccc21)N(C)CC ZINC000822555077 1091664912 /nfs/dbraw/zinc/66/49/12/1091664912.db2.gz KJMBUUGCAFBAGJ-KRWDZBQOSA-N 0 3 314.429 3.195 50 0 DGAAHN COc1cccc(CN2CCC3(CC[C@@H]3OC)CC2)c1OC ZINC000581803768 1092278641 /nfs/dbraw/zinc/27/86/41/1092278641.db2.gz UNZKCXNNFQORQT-INIZCTEOSA-N 0 3 305.418 3.095 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NXJCOXGMGAEDOL-UHFFFAOYSA-N 0 3 311.145 3.441 50 0 DGAAHN c1cc(CN2CCC(n3cc(-c4ccccc4)nn3)CC2)co1 ZINC000082039355 192354011 /nfs/dbraw/zinc/35/40/11/192354011.db2.gz KNYHSOIUSJDQOG-UHFFFAOYSA-N 0 3 308.385 3.375 50 0 DGAAHN COc1cc(CN[C@H](CN(C)C)c2ccccc2)cc(OC)c1 ZINC000096971433 185394732 /nfs/dbraw/zinc/39/47/32/185394732.db2.gz AJPGNIGEUQHKEO-LJQANCHMSA-N 0 3 314.429 3.096 50 0 DGAAHN CC1(C)Cc2cc(CN3CCC(n4ccnc4)CC3)ccc2O1 ZINC000092648578 185331476 /nfs/dbraw/zinc/33/14/76/185331476.db2.gz YKPQKAPIYMDUHZ-UHFFFAOYSA-N 0 3 311.429 3.434 50 0 DGAAHN Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000095418311 185359461 /nfs/dbraw/zinc/35/94/61/185359461.db2.gz SQFQXDXUSPEOHV-WFASDCNBSA-N 0 3 309.841 3.452 50 0 DGAAHN CCc1ccc([C@@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000095420514 185360151 /nfs/dbraw/zinc/36/01/51/185360151.db2.gz STLKUDJDLBPOJR-VXGBXAGGSA-N 0 3 304.356 3.377 50 0 DGAAHN Cc1cc(CC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)[nH]n1 ZINC000095427294 185361900 /nfs/dbraw/zinc/36/19/00/185361900.db2.gz LELUHHCJKQQSNX-APWZRJJASA-N 0 3 309.413 3.189 50 0 DGAAHN CN(C)CCSc1ccc(NCc2ccc(CO)o2)cc1 ZINC000095429117 185362624 /nfs/dbraw/zinc/36/26/24/185362624.db2.gz WUCRMOKTDOUAJY-UHFFFAOYSA-N 0 3 306.431 3.038 50 0 DGAAHN Oc1cccc2c1CC[C@H]2NCc1cccc(Cn2ccnc2)c1 ZINC000095450976 185368936 /nfs/dbraw/zinc/36/89/36/185368936.db2.gz BZKSYKOCFRBCSW-LJQANCHMSA-N 0 3 319.408 3.414 50 0 DGAAHN Cc1c(CN(C)C2CCN(c3ccccc3C)CC2)cnn1C ZINC000065535802 432012223 /nfs/dbraw/zinc/01/22/23/432012223.db2.gz IUAGDAPDBWCLGY-UHFFFAOYSA-N 0 3 312.461 3.138 50 0 DGAAHN Cc1ccccc1CN1CCN(C2CCCCC2)C[C@H]1CCO ZINC000104303139 432016633 /nfs/dbraw/zinc/01/66/33/432016633.db2.gz NDHCZVOYFYRIFE-HXUWFJFHSA-N 0 3 316.489 3.196 50 0 DGAAHN CCn1cc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cn1 ZINC000083843574 192384922 /nfs/dbraw/zinc/38/49/22/192384922.db2.gz UALRWTJEZFIUCU-CQSZACIVSA-N 0 3 309.417 3.248 50 0 DGAAHN CCn1cc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072151606 191055925 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ZINC000107539165 432033655 /nfs/dbraw/zinc/03/36/55/432033655.db2.gz CDCLRFAWJNZEKQ-CJNGLKHVSA-N 0 3 302.809 3.296 50 0 DGAAHN Fc1cccc(-c2[nH]nc3c2CN(Cc2cccnc2)CC3)c1 ZINC000067758467 432039016 /nfs/dbraw/zinc/03/90/16/432039016.db2.gz BEADIJDQVIQCEY-UHFFFAOYSA-N 0 3 308.360 3.169 50 0 DGAAHN Cc1ccc(-c2n[nH]cc2CN(CCO)Cc2ccccc2)cc1 ZINC000004678984 181136189 /nfs/dbraw/zinc/13/61/89/181136189.db2.gz SIIBSJGPWNEQMR-UHFFFAOYSA-N 0 3 321.424 3.380 50 0 DGAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)COc1ccccc1 ZINC000004723159 181142211 /nfs/dbraw/zinc/14/22/11/181142211.db2.gz HRYVAVKEGWKLRR-INIZCTEOSA-N 0 3 313.397 3.129 50 0 DGAAHN Cc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000004725485 181143198 /nfs/dbraw/zinc/14/31/98/181143198.db2.gz ZWRKEFRBUMLBJJ-UHFFFAOYSA-N 0 3 300.446 3.220 50 0 DGAAHN CCCc1nc(C)c(CNC2CSCCSC2)s1 ZINC000067833332 432042846 /nfs/dbraw/zinc/04/28/46/432042846.db2.gz QUVFLSPKRQNOMC-UHFFFAOYSA-N 0 3 302.534 3.342 50 0 DGAAHN C[C@@H](CN1CCCCCC1)NCc1noc(C2CCCC2)n1 ZINC000067879747 432045825 /nfs/dbraw/zinc/04/58/25/432045825.db2.gz XHOIQCHTOHEGJI-AWEZNQCLSA-N 0 3 306.454 3.081 50 0 DGAAHN CC(=O)NC[C@@H]1CCN(Cc2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000067934483 432046345 /nfs/dbraw/zinc/04/63/45/432046345.db2.gz YKYDVJQYYGZCPP-ZDUSSCGKSA-N 0 3 319.836 3.088 50 0 DGAAHN Cc1ccc(CN2CCC[C@H](CNC(=O)NC(C)C)C2)cc1C ZINC000067974996 432047803 /nfs/dbraw/zinc/04/78/03/432047803.db2.gz WJWBWCJGZFVDHT-GOSISDBHSA-N 0 3 317.477 3.223 50 0 DGAAHN CCCc1cc(NCCN(C)C)n2ncc(-c3ccccc3)c2n1 ZINC000005272410 181225039 /nfs/dbraw/zinc/22/50/39/181225039.db2.gz QANWGQFQSKFGDG-UHFFFAOYSA-N 0 3 323.444 3.322 50 0 DGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000005345335 181232183 /nfs/dbraw/zinc/23/21/83/181232183.db2.gz JIWJUFBYJVGTGE-CYBMUJFWSA-N 0 3 305.809 3.035 50 0 DGAAHN Cc1c(NC(=O)[C@@H]2CCCCN2)cccc1OCC(F)(F)F ZINC000237625975 202309660 /nfs/dbraw/zinc/30/96/60/202309660.db2.gz VMKAGVDWSHQENW-LBPRGKRZSA-N 0 3 316.323 3.017 50 0 DGAAHN O=S1(=O)CC[C@@H](NCCCc2ccccc2)c2ccccc21 ZINC000192934666 200963915 /nfs/dbraw/zinc/96/39/15/200963915.db2.gz JZMKJFGNZDSETC-QGZVFWFLSA-N 0 3 315.438 3.128 50 0 DGAAHN C[C@@H](NCc1ccnc(N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000193526477 201069181 /nfs/dbraw/zinc/06/91/81/201069181.db2.gz AKSZGOHIDMZAFB-GFCCVEGCSA-N 0 3 315.392 3.443 50 0 DGAAHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cccs1 ZINC000193829387 201131229 /nfs/dbraw/zinc/13/12/29/201131229.db2.gz ZKQDRRDSUKXJRE-HNNXBMFYSA-N 0 3 300.427 3.000 50 0 DGAAHN FC(F)(F)c1ccn([C@H]2CCCN(C[C@@H]3CCC=CO3)C2)n1 ZINC000194613157 201261953 /nfs/dbraw/zinc/26/19/53/201261953.db2.gz UNBCKSOTSYHSSG-STQMWFEESA-N 0 3 315.339 3.232 50 0 DGAAHN C[C@H](NC[C@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000006454936 181342231 /nfs/dbraw/zinc/34/22/31/181342231.db2.gz ZYFHGZJQRRTHOF-ZFWWWQNUSA-N 0 3 305.805 3.431 50 0 DGAAHN COc1cccc(C=O)c1OCCCN1C[C@H](C)C[C@@H](C)C1 ZINC000006701186 181373134 /nfs/dbraw/zinc/37/31/34/181373134.db2.gz LCDJDLFCHXQJNR-HUUCEWRRSA-N 0 3 305.418 3.255 50 0 DGAAHN O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCCCC1 ZINC000006790648 181389781 /nfs/dbraw/zinc/38/97/81/181389781.db2.gz VVSOPLKCVXOPGR-GFCCVEGCSA-N 0 3 304.217 3.219 50 0 DGAAHN COCCn1cncc1CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000091486602 193063119 /nfs/dbraw/zinc/06/31/19/193063119.db2.gz BBDJEMPICHDNBN-LJQANCHMSA-N 0 3 313.445 3.083 50 0 DGAAHN CC(C)Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3)cc1 ZINC000092004152 193139195 /nfs/dbraw/zinc/13/91/95/193139195.db2.gz JUKNGXVHHZFVHW-SJLPKXTDSA-N 0 3 300.446 3.051 50 0 DGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccnc1 ZINC000040474232 283990003 /nfs/dbraw/zinc/99/00/03/283990003.db2.gz VIQJVIANZJQFPT-CQSZACIVSA-N 0 3 316.430 3.102 50 0 DGAAHN CCS[C@H]1CCCC[C@@H]1NCc1cc(-c2cnn(C)c2)no1 ZINC000190049384 432116858 /nfs/dbraw/zinc/11/68/58/432116858.db2.gz ICXAXXPDYXPZDF-HOCLYGCPSA-N 0 3 320.462 3.229 50 0 DGAAHN OCc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)o1 ZINC000093757067 193301854 /nfs/dbraw/zinc/30/18/54/193301854.db2.gz GCDUNBKIJLFZEG-CQSZACIVSA-N 0 3 303.427 3.386 50 0 DGAAHN NC(=O)C[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000093808495 193310666 /nfs/dbraw/zinc/31/06/66/193310666.db2.gz OXGIQEYQSYPNBD-OAHLLOKOSA-N 0 3 316.445 3.095 50 0 DGAAHN CC[S@@](=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000096479155 193663516 /nfs/dbraw/zinc/66/35/16/193663516.db2.gz FUNMMMBQOWGGHS-VVLGMZKNSA-N 0 3 323.458 3.146 50 0 DGAAHN CCN1CCC(NC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC000016604356 182052357 /nfs/dbraw/zinc/05/23/57/182052357.db2.gz DMSMOHGTFXOIBZ-LBPRGKRZSA-N 0 3 306.475 3.087 50 0 DGAAHN CCC[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000016607068 182053075 /nfs/dbraw/zinc/05/30/75/182053075.db2.gz GOMBOPGIJTUABY-AWEZNQCLSA-N 0 3 306.425 3.343 50 0 DGAAHN Clc1ccccc1-c1ccc(CNCCN2CCOCC2)o1 ZINC000019200321 182107517 /nfs/dbraw/zinc/10/75/17/182107517.db2.gz PAUFNCBUHVLAGN-UHFFFAOYSA-N 0 3 320.820 3.022 50 0 DGAAHN CCOc1cc(CN2CCN([C@H](C)CC)CC2)ccc1OC ZINC000019499933 182125616 /nfs/dbraw/zinc/12/56/16/182125616.db2.gz JJIFCFNAYHNVLP-OAHLLOKOSA-N 0 3 306.450 3.010 50 0 DGAAHN C[C@H](CCN1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000019782086 182148219 /nfs/dbraw/zinc/14/82/19/182148219.db2.gz AFPYBAZYYZPZDU-GOSISDBHSA-N 0 3 309.457 3.393 50 0 DGAAHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000020100463 182187105 /nfs/dbraw/zinc/18/71/05/182187105.db2.gz WGGZMFFWMFIHTA-UHFFFAOYSA-N 0 3 304.409 3.050 50 0 DGAAHN CN1CCN(Cc2cccc3c4ccccc4oc32)C[C@@H]1CCO ZINC000020452712 182218844 /nfs/dbraw/zinc/21/88/44/182218844.db2.gz HMCDELBJUPZUSD-INIZCTEOSA-N 0 3 324.424 3.084 50 0 DGAAHN Cc1ccccc1-c1ccc(CN2CCN(C)[C@@H](CCO)C2)cc1 ZINC000020535446 182228020 /nfs/dbraw/zinc/22/80/20/182228020.db2.gz LOZMAUVVWDBWMB-FQEVSTJZSA-N 0 3 324.468 3.160 50 0 DGAAHN OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccsc1 ZINC000022925990 182340912 /nfs/dbraw/zinc/34/09/12/182340912.db2.gz OZBVEZIYWIBNJC-SFHVURJKSA-N 0 3 322.518 3.197 50 0 DGAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040107598 183036295 /nfs/dbraw/zinc/03/62/95/183036295.db2.gz USLIWNFTHRLLND-VXGBXAGGSA-N 0 3 312.816 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FKMXJRHFIMTLHZ-CYBMUJFWSA-N 0 3 320.483 3.452 50 0 DGAAHN Cc1ccc(C[C@@H]2CCCN([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000065260905 184319131 /nfs/dbraw/zinc/31/91/31/184319131.db2.gz FXQKLJFGBGTUDV-AZUAARDMSA-N 0 3 322.452 3.476 50 0 DGAAHN CN1CCC(Oc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000065362919 184328527 /nfs/dbraw/zinc/32/85/27/184328527.db2.gz NIMOEAKSIQCWGW-UHFFFAOYSA-N 0 3 316.426 3.473 50 0 DGAAHN c1coc(CN2CCC[C@H](c3nnc(Cc4ccccc4)[nH]3)C2)c1 ZINC000065381581 184332023 /nfs/dbraw/zinc/33/20/23/184332023.db2.gz FSLLFJMKQRXOKI-INIZCTEOSA-N 0 3 322.412 3.368 50 0 DGAAHN CC[C@H](NCCc1nc(C)c(C)s1)C(=O)Nc1ccccc1 ZINC000065383506 184332495 /nfs/dbraw/zinc/33/24/95/184332495.db2.gz JRZPFUIZAXAOJG-HNNXBMFYSA-N 0 3 317.458 3.309 50 0 DGAAHN Cc1cc(C)n([C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 ZINC000065422143 184341764 /nfs/dbraw/zinc/34/17/64/184341764.db2.gz FCOYAFLDMBRDJL-SFHVURJKSA-N 0 3 306.413 3.495 50 0 DGAAHN C[C@@H](NCCC(=O)NC1CCCCC1)c1cc(F)cc(F)c1 ZINC000065426500 184342622 /nfs/dbraw/zinc/34/26/22/184342622.db2.gz MTICKOZNNRHTGL-GFCCVEGCSA-N 0 3 310.388 3.454 50 0 DGAAHN CN1CCC(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000065439834 184345355 /nfs/dbraw/zinc/34/53/55/184345355.db2.gz NXSUIHQFHFGGRC-UHFFFAOYSA-N 0 3 319.302 3.060 50 0 DGAAHN CCc1nc(C)sc1CN1CCC=C(C[C@H](C)NC(C)=O)C1 ZINC000065397194 184336018 /nfs/dbraw/zinc/33/60/18/184336018.db2.gz GOSXNKGMKKETJM-LBPRGKRZSA-N 0 3 321.490 3.061 50 0 DGAAHN COc1cc(CC[C@@H](C)NCc2c(C)noc2C)ccc1O ZINC000065526863 184359825 /nfs/dbraw/zinc/35/98/25/184359825.db2.gz YLPQGABUOUDNFU-LLVKDONJSA-N 0 3 304.390 3.117 50 0 DGAAHN C[C@@H](N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21)C1CCC1 ZINC000156934906 197150951 /nfs/dbraw/zinc/15/09/51/197150951.db2.gz BIDHQTVRQJGVNN-YGRLFVJLSA-N 0 3 313.850 3.337 50 0 DGAAHN CCNC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071762767 257270455 /nfs/dbraw/zinc/27/04/55/257270455.db2.gz IRQVRVSXSWYVHV-QGZVFWFLSA-N 0 3 321.440 3.088 50 0 DGAAHN c1[nH]nc(-c2ccccc2)c1CNC1CSCCSC1 ZINC000584901955 400124617 /nfs/dbraw/zinc/12/46/17/400124617.db2.gz YXYLQCGDKLLVJJ-UHFFFAOYSA-N 0 3 305.472 3.015 50 0 DGAAHN Cc1nn(-c2ccccc2)cc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071625 400152190 /nfs/dbraw/zinc/15/21/90/400152190.db2.gz SJURZQBLETTZGX-INIZCTEOSA-N 0 3 321.428 3.283 50 0 DGAAHN c1ccc([C@H](NC2CCC3(CC2)OCCO3)c2ccncc2)cc1 ZINC000097233877 400284550 /nfs/dbraw/zinc/28/45/50/400284550.db2.gz YJVSWYATCJHFGQ-IBGZPJMESA-N 0 3 324.424 3.446 50 0 DGAAHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1cccnc1 ZINC000106909206 400332496 /nfs/dbraw/zinc/33/24/96/400332496.db2.gz KGYSGEAUBFJHIR-HYVNUMGLSA-N 0 3 301.434 3.008 50 0 DGAAHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1cccnc1 ZINC000072268634 400376906 /nfs/dbraw/zinc/37/69/06/400376906.db2.gz KGYSGEAUBFJHIR-USXIJHARSA-N 0 3 301.434 3.008 50 0 DGAAHN CN1CCN(CCCCOc2ccccc2C(C)(C)C)CC1 ZINC000039931891 400399379 /nfs/dbraw/zinc/39/93/79/400399379.db2.gz NJFLOJDGJLHVEL-UHFFFAOYSA-N 0 3 304.478 3.391 50 0 DGAAHN COc1cccc(F)c1[C@@H](C)NC1CCC2(CC1)OCCO2 ZINC000156054804 400706957 /nfs/dbraw/zinc/70/69/57/400706957.db2.gz GMNFOEDVEIYUHV-GFCCVEGCSA-N 0 3 309.381 3.171 50 0 DGAAHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc(Cl)cn1 ZINC000078664126 400817433 /nfs/dbraw/zinc/81/74/33/400817433.db2.gz DAMMBFGWLWZLTM-SNPRPXQTSA-N 0 3 309.841 3.036 50 0 DGAAHN COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccsc1 ZINC000168028101 400756631 /nfs/dbraw/zinc/75/66/31/400756631.db2.gz DBXUSEYXIHEMLD-JKSUJKDBSA-N 0 3 301.411 3.137 50 0 DGAAHN O=C(c1cccc([O-])c1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000170593540 400763947 /nfs/dbraw/zinc/76/39/47/400763947.db2.gz KKUDEYQVVLOHEI-UHFFFAOYSA-N 0 3 322.408 3.191 50 0 DGAAHN C[C@H](c1ccccn1)N(C)CC[C@@H]1CCCCC12OCCO2 ZINC000170609069 400766411 /nfs/dbraw/zinc/76/64/11/400766411.db2.gz LEVIVGLUNPERDV-CVEARBPZSA-N 0 3 304.434 3.398 50 0 DGAAHN CN1CC/C(=C/C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000606444853 400912930 /nfs/dbraw/zinc/91/29/30/400912930.db2.gz NFSDFOWMRJKFPH-AFRXXKALSA-N 0 3 324.399 3.293 50 0 DGAAHN CC(C)(O)CN1CCc2c(cccc2N[C@@H]2CCCSC2)C1 ZINC000195560534 400925856 /nfs/dbraw/zinc/92/58/56/400925856.db2.gz GNDYPJZMCQZWQC-OAHLLOKOSA-N 0 3 320.502 3.123 50 0 DGAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCO[C@@H]1CCCC[C@@H]1C ZINC000229556972 400966538 /nfs/dbraw/zinc/96/65/38/400966538.db2.gz ZFKPBFSPFCMPSA-GDAAHCPNSA-N 0 3 322.493 3.057 50 0 DGAAHN Cc1ccsc1CN(C)C[C@H](O)COCc1cccs1 ZINC000060625385 401130034 /nfs/dbraw/zinc/13/00/34/401130034.db2.gz JSKICXHOGCCNJG-ZDUSSCGKSA-N 0 3 311.472 3.128 50 0 DGAAHN CCc1nc2ccccc2c(NC[C@@]2(CCO)CCOC2)c1C ZINC000252482140 401095066 /nfs/dbraw/zinc/09/50/66/401095066.db2.gz CZOMKPSIIXBWGB-LJQANCHMSA-N 0 3 314.429 3.307 50 0 DGAAHN CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCN(C)C ZINC000065170475 401260007 /nfs/dbraw/zinc/26/00/07/401260007.db2.gz NJUUXRWGIOZPRY-UHFFFAOYSA-N 0 3 319.836 3.120 50 0 DGAAHN Cc1ccc2c(c1)[C@H](NC[C@@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459718 292368027 /nfs/dbraw/zinc/36/80/27/292368027.db2.gz 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ZINC000000317666 431165169 /nfs/dbraw/zinc/16/51/69/431165169.db2.gz RAFVBXFYNZBAMM-UHFFFAOYSA-N 0 3 300.446 3.157 50 0 DGAAHN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1CN1CCCCC1 ZINC000069221217 431171443 /nfs/dbraw/zinc/17/14/43/431171443.db2.gz QUXXHGKLWCKLIT-AWEZNQCLSA-N 0 3 323.387 3.447 50 0 DGAAHN COc1ccccc1/C=C/C(=O)O[C@H](C)CN1CCCCC1 ZINC000000459918 431188876 /nfs/dbraw/zinc/18/88/76/431188876.db2.gz WAEIBICPCUNNDB-AUECHBEKSA-N 0 3 303.402 3.126 50 0 DGAAHN Cc1sc(C)c([C@H]2C=CNC=N2)c1I ZINC000000480761 431191123 /nfs/dbraw/zinc/19/11/23/431191123.db2.gz MODBQEYIHCDMET-MRVPVSSYSA-N 0 3 318.183 3.156 50 0 DGAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000069491642 431191854 /nfs/dbraw/zinc/19/18/54/431191854.db2.gz RXEKBOQGXVCYPN-HUUCEWRRSA-N 0 3 315.417 3.092 50 0 DGAAHN CN(C(=O)Cc1cc(Cl)ccc1Cl)C1CCN(C)CC1 ZINC000069492556 431193314 /nfs/dbraw/zinc/19/33/14/431193314.db2.gz SKPBRRQXQQMQHB-UHFFFAOYSA-N 0 3 315.244 3.089 50 0 DGAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 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431239445 /nfs/dbraw/zinc/23/94/45/431239445.db2.gz WAEIBICPCUNNDB-NKSUMMKUSA-N 0 3 303.402 3.126 50 0 DGAAHN C[C@@H]1CCCCN1CCNc1[nH]c(=S)nc2ccccc21 ZINC000002499687 431253521 /nfs/dbraw/zinc/25/35/21/431253521.db2.gz UZXYPFJZCQUKEU-GFCCVEGCSA-N 0 3 302.447 3.205 50 0 DGAAHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1cccs1 ZINC000070928875 431266782 /nfs/dbraw/zinc/26/67/82/431266782.db2.gz AACWDQDHDFBFKS-UHFFFAOYSA-N 0 3 316.430 3.181 50 0 DGAAHN COc1cc(CNCCO)ccc1OCc1ccccc1Cl ZINC000002862408 431272647 /nfs/dbraw/zinc/27/26/47/431272647.db2.gz IHEUFANIHYSSFX-UHFFFAOYSA-N 0 3 321.804 3.010 50 0 DGAAHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1scnc1C(C)(C)C ZINC000072309554 431334281 /nfs/dbraw/zinc/33/42/81/431334281.db2.gz UWKUIZHSLLTDCM-QWHCGFSZSA-N 0 3 323.506 3.291 50 0 DGAAHN Cc1nn(CC(C)C)c(Cl)c1CNCCCOC(C)C ZINC000007779652 431361690 /nfs/dbraw/zinc/36/16/90/431361690.db2.gz VNAVLGYVHFBJTP-UHFFFAOYSA-N 0 3 301.862 3.406 50 0 DGAAHN Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000008215450 431387235 /nfs/dbraw/zinc/38/72/35/431387235.db2.gz LRDAXYHMMJEOKS-UHFFFAOYSA-N 0 3 301.434 3.477 50 0 DGAAHN CS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000074120323 431399852 /nfs/dbraw/zinc/39/98/52/431399852.db2.gz SOAXGBJOVPNHGL-CVEARBPZSA-N 0 3 306.475 3.104 50 0 DGAAHN COc1ccc(OC)c2c(=O)c(CN3CCCCC3)c(C)[nH]c12 ZINC000008717485 431408283 /nfs/dbraw/zinc/40/82/83/431408283.db2.gz DVJWTQBWDBKMKK-UHFFFAOYSA-N 0 3 316.401 3.252 50 0 DGAAHN CCOc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000009917197 431450706 /nfs/dbraw/zinc/45/07/06/431450706.db2.gz HAFJASRZEKUNJL-UHFFFAOYSA-N 0 3 312.413 3.077 50 0 DGAAHN C[C@H](Nc1ccncc1NC(=O)c1ccsc1)[C@@H]1CCCO1 ZINC000075141623 431458108 /nfs/dbraw/zinc/45/81/08/431458108.db2.gz BAFWQDYIKFDVEC-NHYWBVRUSA-N 0 3 317.414 3.375 50 0 DGAAHN CCOc1ccc(CNC[C@H]2CCCO2)cc1Br ZINC000010474472 431464662 /nfs/dbraw/zinc/46/46/62/431464662.db2.gz ZASYMBMXKKZCSY-GFCCVEGCSA-N 0 3 314.223 3.116 50 0 DGAAHN O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)C1=CCCC1 ZINC000012710028 431521527 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/nfs/dbraw/zinc/59/70/87/431597087.db2.gz VEVQZFSHHOHMPV-JOYOIKCWSA-N 0 3 314.216 3.161 50 0 DGAAHN COc1ccc(CC[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1 ZINC000014955478 431598669 /nfs/dbraw/zinc/59/86/69/431598669.db2.gz IDUXXNDNWOVGLA-KRWDZBQOSA-N 0 3 313.445 3.274 50 0 DGAAHN O=C(Nc1ccccc1[O-])C1CC[NH+](CCc2ccccc2)CC1 ZINC000015043113 431600737 /nfs/dbraw/zinc/60/07/37/431600737.db2.gz POYTUDZZIRWVBH-UHFFFAOYSA-N 0 3 324.424 3.285 50 0 DGAAHN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)c(C)c1 ZINC000014190353 431586013 /nfs/dbraw/zinc/58/60/13/431586013.db2.gz GJIRSWIBKGLQGA-UHFFFAOYSA-N 0 3 321.424 3.238 50 0 DGAAHN CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019633868 431620457 /nfs/dbraw/zinc/62/04/57/431620457.db2.gz JLTXVLMENAZLNM-UHFFFAOYSA-N 0 3 310.441 3.403 50 0 DGAAHN C[C@@H](C1CC1)N(CC(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000029725328 431727831 /nfs/dbraw/zinc/72/78/31/431727831.db2.gz VNDCEPLWGBGENN-NSHDSACASA-N 0 3 324.371 3.489 50 0 DGAAHN O=C(Nc1ncccc1[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032845109 431795896 /nfs/dbraw/zinc/79/58/96/431795896.db2.gz JBINIUMAWZPMES-UHFFFAOYSA-N 0 3 311.385 3.025 50 0 DGAAHN O=C(Nc1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000032912678 431800902 /nfs/dbraw/zinc/80/09/02/431800902.db2.gz HUQJAMXWSKCTSG-GOSISDBHSA-N 0 3 309.413 3.473 50 0 DGAAHN CCN1CCC[C@H](OC(=O)c2cccc(Br)c2)C1 ZINC000032962586 431804037 /nfs/dbraw/zinc/80/40/37/431804037.db2.gz HPSATHBPXLFCNB-ZDUSSCGKSA-N 0 3 312.207 3.090 50 0 DGAAHN Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1C ZINC000032398949 431777855 /nfs/dbraw/zinc/77/78/55/431777855.db2.gz XRMODWUPPZWNHZ-UHFFFAOYSA-N 0 3 322.452 3.482 50 0 DGAAHN CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000089319392 431863361 /nfs/dbraw/zinc/86/33/61/431863361.db2.gz RQTHZGCIUWMYQZ-QZTJIDSGSA-N 0 3 312.388 3.173 50 0 DGAAHN O=C(c1cc2ccccc2[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000044442583 431873826 /nfs/dbraw/zinc/87/38/26/431873826.db2.gz CMKPYRLQIVIXGR-UHFFFAOYSA-N 0 3 311.429 3.258 50 0 DGAAHN CCC[C@H](O)CN(Cc1cccc(OC)c1OC)CC(C)C ZINC000036097059 431834767 /nfs/dbraw/zinc/83/47/67/431834767.db2.gz JCDHXTBWGHBDHQ-INIZCTEOSA-N 0 3 309.450 3.323 50 0 DGAAHN Cc1cccc(CN(C[C@H](O)COc2ccccc2)C2CC2)c1 ZINC000036098792 431835153 /nfs/dbraw/zinc/83/51/53/431835153.db2.gz AKOKHRFGOXFFBM-IBGZPJMESA-N 0 3 311.425 3.399 50 0 DGAAHN O[C@H](COCc1ccccc1)CN(Cc1ccccc1)C1CC1 ZINC000036096912 431835613 /nfs/dbraw/zinc/83/56/13/431835613.db2.gz MORSYKPDPUIQCV-FQEVSTJZSA-N 0 3 311.425 3.229 50 0 DGAAHN c1c(-c2cccnc2)nnn1C1CCN(Cc2ccccc2)CC1 ZINC000048159141 431920450 /nfs/dbraw/zinc/92/04/50/431920450.db2.gz HGWOTBSGBPEUOO-UHFFFAOYSA-N 0 3 319.412 3.177 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(C(C)(C)C)n[nH]1)C2 ZINC000095363533 431922652 /nfs/dbraw/zinc/92/26/52/431922652.db2.gz JXADCQHDYHNQQL-GOEBONIOSA-N 0 3 304.482 3.013 50 0 DGAAHN Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)s1 ZINC000095365590 431922687 /nfs/dbraw/zinc/92/26/87/431922687.db2.gz OIEKEIFVBLTGNB-HZPDHXFCSA-N 0 3 318.486 3.393 50 0 DGAAHN c1ncn(C2CCCCC2)c1CN1CCC[C@]2(CCOC2)C1 ZINC000095361009 431923217 /nfs/dbraw/zinc/92/32/17/431923217.db2.gz TVKDWNCSZRLJKJ-SFHVURJKSA-N 0 3 303.450 3.391 50 0 DGAAHN CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423903 431924936 /nfs/dbraw/zinc/92/49/36/431924936.db2.gz CDYGFJSTHIBSMY-NVXWUHKLSA-N 0 3 316.445 3.118 50 0 DGAAHN Cc1nccn1CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000089735721 431877025 /nfs/dbraw/zinc/87/70/25/431877025.db2.gz KUHVXYMXSKLAOK-OAHLLOKOSA-N 0 3 310.401 3.212 50 0 DGAAHN Cc1nccn1CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000089735718 431877366 /nfs/dbraw/zinc/87/73/66/431877366.db2.gz KUHVXYMXSKLAOK-HNNXBMFYSA-N 0 3 310.401 3.212 50 0 DGAAHN c1cncc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000089794032 431879313 /nfs/dbraw/zinc/87/93/13/431879313.db2.gz PVADDIJHKIOENN-UHFFFAOYSA-N 0 3 310.397 3.412 50 0 DGAAHN CCN(CC)[C@H](CNC(=O)Nc1ccccn1)c1ccsc1 ZINC000046253362 431896080 /nfs/dbraw/zinc/89/60/80/431896080.db2.gz PYKCNPZRCSHIPP-CQSZACIVSA-N 0 3 318.446 3.348 50 0 DGAAHN Cc1c[nH]nc1C1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000097744666 431974039 /nfs/dbraw/zinc/97/40/39/431974039.db2.gz OHVKLNODBLAQPH-UHFFFAOYSA-N 0 3 309.417 3.054 50 0 DGAAHN c1cc([C@@H]2CCCCO2)oc1CN1CCC(c2nc[nH]n2)CC1 ZINC000097713699 431974265 /nfs/dbraw/zinc/97/42/65/431974265.db2.gz JJXPHMXUXPBMTG-HNNXBMFYSA-N 0 3 316.405 3.019 50 0 DGAAHN COc1cc(C)c(CN(C)CCc2ccncc2)cc1OC ZINC000098078716 431977489 /nfs/dbraw/zinc/97/74/89/431977489.db2.gz OGMVAKLIDJVIOL-UHFFFAOYSA-N 0 3 300.402 3.082 50 0 DGAAHN Cc1ccccc1CN(CCN(C)C)Cc1cnn(C(C)C)c1 ZINC000055167877 431977708 /nfs/dbraw/zinc/97/77/08/431977708.db2.gz TUVMDZXWBOKFFM-UHFFFAOYSA-N 0 3 314.477 3.336 50 0 DGAAHN COc1cccc(N2CCN(Cc3sccc3C)CC2)c1 ZINC000055291833 431978979 /nfs/dbraw/zinc/97/89/79/431978979.db2.gz AICNSACBNPOKHH-UHFFFAOYSA-N 0 3 302.443 3.387 50 0 DGAAHN Cc1sc2nc(C(F)(F)F)nc(NCCN(C)C)c2c1C ZINC000095948983 431928447 /nfs/dbraw/zinc/92/84/47/431928447.db2.gz CVFBXRRFSHRTPX-UHFFFAOYSA-N 0 3 318.368 3.300 50 0 DGAAHN CCc1nn(C)cc1CN1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000095986663 431931801 /nfs/dbraw/zinc/93/18/01/431931801.db2.gz AEXPMSPHKBIKAL-MRXNPFEDSA-N 0 3 323.444 3.169 50 0 DGAAHN O=C(CCN1CCC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000095992494 431932598 /nfs/dbraw/zinc/93/25/98/431932598.db2.gz ILPIIPFFROAIMD-SFHVURJKSA-N 0 3 300.446 3.210 50 0 DGAAHN Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000095988585 431932864 /nfs/dbraw/zinc/93/28/64/431932864.db2.gz PAPYFBBALJDCJH-DLBZAZTESA-N 0 3 304.340 3.288 50 0 DGAAHN OCc1cc(-c2ccc(OCCN3CCCC3)cc2)ccc1F ZINC000096141816 431939934 /nfs/dbraw/zinc/93/99/34/431939934.db2.gz FVYBKZKOFBYJOI-UHFFFAOYSA-N 0 3 315.388 3.460 50 0 DGAAHN CC(=O)Nc1cccc(CN(Cc2ccccc2)C[C@@H](C)O)c1 ZINC000096421175 431947116 /nfs/dbraw/zinc/94/71/16/431947116.db2.gz BKFJOSYKJRNKPI-OAHLLOKOSA-N 0 3 312.413 3.028 50 0 DGAAHN CN(C[C@H]1CCCN(Cc2ccncc2)C1)C(=O)OC(C)(C)C ZINC000096424622 431947696 /nfs/dbraw/zinc/94/76/96/431947696.db2.gz PUBAOYZKSSCSRZ-MRXNPFEDSA-N 0 3 319.449 3.161 50 0 DGAAHN COC1CCC(N(C)Cc2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000096443358 431949997 /nfs/dbraw/zinc/94/99/97/431949997.db2.gz LULMHDREXPEDIY-UHFFFAOYSA-N 0 3 319.380 3.265 50 0 DGAAHN COc1cccc2cc([C@H](C)NCC3(OC)CCOCC3)oc21 ZINC000096493465 431953657 /nfs/dbraw/zinc/95/36/57/431953657.db2.gz OUIYGOZPVVFQOR-ZDUSSCGKSA-N 0 3 319.401 3.288 50 0 DGAAHN COc1cccc2cc([C@H](C)NCCc3nc(C)no3)oc21 ZINC000097034680 431957177 /nfs/dbraw/zinc/95/71/77/431957177.db2.gz BEOKYNNJFZTWAQ-JTQLQIEISA-N 0 3 301.346 3.026 50 0 DGAAHN O[C@H](CNCc1c[nH]nc1-c1cccs1)c1ccc(F)cc1 ZINC000097139685 431962543 /nfs/dbraw/zinc/96/25/43/431962543.db2.gz JTXSHJXNBIAWIO-CQSZACIVSA-N 0 3 317.389 3.101 50 0 DGAAHN C[C@H](N[C@@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234804 431966441 /nfs/dbraw/zinc/96/64/41/431966441.db2.gz KERVYLVYOCMPNI-DTWKUNHWSA-N 0 3 314.501 3.339 50 0 DGAAHN CCN(CC)[C@H](CNc1nccc(OC)n1)c1ccsc1 ZINC000097286646 431966790 /nfs/dbraw/zinc/96/67/90/431966790.db2.gz ZPZDBSPZNLAEGK-CYBMUJFWSA-N 0 3 306.435 3.042 50 0 DGAAHN CN(C)CCN(Cc1ccsc1)Cc1cccc2c1OCO2 ZINC000055413266 431982224 /nfs/dbraw/zinc/98/22/24/431982224.db2.gz GMPLQRODLXGSSX-UHFFFAOYSA-N 0 3 318.442 3.041 50 0 DGAAHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cc(Br)cs1 ZINC000252481465 432378886 /nfs/dbraw/zinc/37/88/86/432378886.db2.gz CMOSJYRMWPLOMG-BEPCFFQHSA-N 0 3 324.309 3.318 50 0 DGAAHN CC1(C)Cc2cccc(NC(=O)NCCN3CCCCC3)c2O1 ZINC000252510758 432381544 /nfs/dbraw/zinc/38/15/44/432381544.db2.gz ZPXFOWVJQSUHSS-UHFFFAOYSA-N 0 3 317.433 3.008 50 0 DGAAHN Cc1noc([C@@H]2CCCN(CCO[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000252513393 432382638 /nfs/dbraw/zinc/38/26/38/432382638.db2.gz ZNECNJZIMLKZIN-FVQBIDKESA-N 0 3 307.438 3.153 50 0 DGAAHN Cc1csc(CN2CCC[C@@]2(CO)Cc2ccccc2)n1 ZINC000253428951 432397640 /nfs/dbraw/zinc/39/76/40/432397640.db2.gz OBGZVBXIGSHGOO-KRWDZBQOSA-N 0 3 302.443 3.021 50 0 DGAAHN COc1cccc(CN2CCC[C@@H]2Cn2ccnc2C)c1F ZINC000192958607 432434034 /nfs/dbraw/zinc/43/40/34/432434034.db2.gz SYUSIDIPALXBEF-OAHLLOKOSA-N 0 3 303.381 3.004 50 0 DGAAHN Cc1cc(C[C@@H](C)N[C@@H](C)c2ccc(Br)o2)n[nH]1 ZINC000193029359 432440599 /nfs/dbraw/zinc/44/05/99/432440599.db2.gz ASFCBNCKKDZSEC-SCZZXKLOSA-N 0 3 312.211 3.355 50 0 DGAAHN Cc1cc(C[C@@H](C)N[C@@H](C)c2ccc(Br)o2)[nH]n1 ZINC000193029359 432440601 /nfs/dbraw/zinc/44/06/01/432440601.db2.gz ASFCBNCKKDZSEC-SCZZXKLOSA-N 0 3 312.211 3.355 50 0 DGAAHN Cc1ccc(-c2n[nH]cc2CN2CCC3(CC[C@@H]3O)CC2)cc1 ZINC000257191008 432415974 /nfs/dbraw/zinc/41/59/74/432415974.db2.gz PGSOWHBXKYGPJO-KRWDZBQOSA-N 0 3 311.429 3.122 50 0 DGAAHN C[C@H](CNc1cc(C(N)=O)ccc1CN(C)C)c1ccccc1 ZINC000194163085 432527744 /nfs/dbraw/zinc/52/77/44/432527744.db2.gz UGEHBLXRCQRNPL-CQSZACIVSA-N 0 3 311.429 3.063 50 0 DGAAHN Cc1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)on1 ZINC000195539011 432625832 /nfs/dbraw/zinc/62/58/32/432625832.db2.gz CEOWBGUVUFOUGF-GDBMZVCRSA-N 0 3 304.390 3.444 50 0 DGAAHN CNCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C ZINC000195543414 432626401 /nfs/dbraw/zinc/62/64/01/432626401.db2.gz ZAUWYPDCYZAAPJ-UHFFFAOYSA-N 0 3 318.804 3.385 50 0 DGAAHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ncccc2F)CC1 ZINC000195558703 432627577 /nfs/dbraw/zinc/62/75/77/432627577.db2.gz IDEOOUYWAJDOFT-CYBMUJFWSA-N 0 3 323.412 3.100 50 0 DGAAHN CCN(Cc1cc(CN2CCCC2)cs1)Cc1nccn1C ZINC000215245801 432643366 /nfs/dbraw/zinc/64/33/66/432643366.db2.gz VLXJJCLSQYHPHO-UHFFFAOYSA-N 0 3 318.490 3.100 50 0 DGAAHN Cc1ccccc1[C@]1(O)CCN(Cc2cc(C(C)(C)C)[nH]n2)C1 ZINC000215331689 432643747 /nfs/dbraw/zinc/64/37/47/432643747.db2.gz FCNYAWJUBAPZRM-IBGZPJMESA-N 0 3 313.445 3.109 50 0 DGAAHN Cc1ncccc1C(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000215830482 432645373 /nfs/dbraw/zinc/64/53/73/432645373.db2.gz LSIQNUUCWSIWID-LJQANCHMSA-N 0 3 323.440 3.347 50 0 DGAAHN CNC(=O)C[C@H](C)N(C)Cc1ccc(-c2ccc(C)o2)cc1 ZINC000216411853 432648871 /nfs/dbraw/zinc/64/88/71/432648871.db2.gz NCICOZILZGFDHF-ZDUSSCGKSA-N 0 3 300.402 3.211 50 0 DGAAHN Cc1nn(C)c(C)c1[C@H](C)N(C)Cc1cccc(-n2cccn2)c1 ZINC000216384313 432649116 /nfs/dbraw/zinc/64/91/16/432649116.db2.gz SYFJAGDRBIKAJN-HNNXBMFYSA-N 0 3 323.444 3.416 50 0 DGAAHN C[C@H]1CN(C2CCN(C/C=C\c3ccc(F)cc3)CC2)CCO1 ZINC000222072736 432669783 /nfs/dbraw/zinc/66/97/83/432669783.db2.gz LEDUHAHJXJZCRB-YPQKKHBXSA-N 0 3 318.436 3.024 50 0 DGAAHN Cc1cccnc1CN1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000244691536 432822280 /nfs/dbraw/zinc/82/22/80/432822280.db2.gz JEPNQNYHCIDTCK-HXUWFJFHSA-N 0 3 321.468 3.065 50 0 DGAAHN Cc1nc(CN(C)CCc2nc3ccc(F)cc3[nH]2)cs1 ZINC000244858500 432823260 /nfs/dbraw/zinc/82/32/60/432823260.db2.gz VMIBXVVJHROSHP-UHFFFAOYSA-N 0 3 304.394 3.141 50 0 DGAAHN CO[C@H]1CCCN(CCC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000244795013 432823876 /nfs/dbraw/zinc/82/38/76/432823876.db2.gz QYAWMRDPUSDWAQ-AWEZNQCLSA-N 0 3 310.825 3.088 50 0 DGAAHN Cc1ncsc1CCN(C)CCC(=O)NC1CCCCCC1 ZINC000244900000 432824181 /nfs/dbraw/zinc/82/41/81/432824181.db2.gz ZUBSVMIXQWYLDU-UHFFFAOYSA-N 0 3 323.506 3.155 50 0 DGAAHN CCCN(Cc1ccsc1)C[C@H]1Cc2c(nc(C)nc2C)O1 ZINC000244795230 432824273 /nfs/dbraw/zinc/82/42/73/432824273.db2.gz RBYMGDUGZLNGMG-OAHLLOKOSA-N 0 3 317.458 3.371 50 0 DGAAHN COc1cc(CN2CCN3CCCC[C@H]3C2)cc(Cl)c1OC ZINC000244852525 432824349 /nfs/dbraw/zinc/82/43/49/432824349.db2.gz UTZCLECNDDYBPM-AWEZNQCLSA-N 0 3 324.852 3.027 50 0 DGAAHN C[C@H]1C[C@@H](CO)CCN1Cc1cc(Cl)cc2cccnc21 ZINC000288571661 432894912 /nfs/dbraw/zinc/89/49/12/432894912.db2.gz BHOFHEHAKKFYRE-STQMWFEESA-N 0 3 304.821 3.481 50 0 DGAAHN O=C(c1cc(F)cc(Cl)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000268073762 432842998 /nfs/dbraw/zinc/84/29/98/432842998.db2.gz BDZZUABWEGCJIY-OAHLLOKOSA-N 0 3 310.800 3.180 50 0 DGAAHN C[C@@H](Cn1ccnc1)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000163428872 432852414 /nfs/dbraw/zinc/85/24/14/432852414.db2.gz RHWGKPTUCIGSIX-JTQLQIEISA-N 0 3 301.287 3.219 50 0 DGAAHN CC[C@@H](CSC)N(C)Cc1ccc(OC)c(OC)c1OC ZINC000289242874 432936872 /nfs/dbraw/zinc/93/68/72/432936872.db2.gz ABWIAORJFCRWQI-ZDUSSCGKSA-N 0 3 313.463 3.286 50 0 DGAAHN CN(C)C[C@@H]1CSCC[C@]1(O)c1ccc(C(F)(F)F)cc1 ZINC000000347751 289203373 /nfs/dbraw/zinc/20/33/73/289203373.db2.gz ADSAQTUAGOVXJN-KGLIPLIRSA-N 0 3 319.392 3.208 50 0 DGAAHN Cc1n[nH]c(C)c1CCN1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000426428776 433497200 /nfs/dbraw/zinc/49/72/00/433497200.db2.gz MAZDORZLUXBCMR-CQSZACIVSA-N 0 3 317.458 3.225 50 0 DGAAHN Clc1ccc([C@H]2NCCc3cc4c(cc32)OCCO4)cc1 ZINC000000140505 294107008 /nfs/dbraw/zinc/10/70/08/294107008.db2.gz VJKFUDOPNYBESG-QGZVFWFLSA-N 0 3 301.773 3.346 50 0 DGAAHN CC(C)SCCN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000408523525 434587321 /nfs/dbraw/zinc/58/73/21/434587321.db2.gz KUIUZEIMEDEDCE-UHFFFAOYSA-N 0 3 308.495 3.480 50 0 DGAAHN c1cc(CCCN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc2c1OCC2 ZINC000560630210 435185593 /nfs/dbraw/zinc/18/55/93/435185593.db2.gz VYEPPVNYKPPISO-UXHICEINSA-N 0 3 313.441 3.198 50 0 DGAAHN C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCCO1 ZINC000585123279 435293055 /nfs/dbraw/zinc/29/30/55/435293055.db2.gz VLVBGPLADPKEBP-DGCLKSJQSA-N 0 3 318.339 3.070 50 0 DGAAHN c1cc(Oc2ccccc2)oc1CN[C@H]1CCc2n[nH]cc2C1 ZINC000097236035 323210371 /nfs/dbraw/zinc/21/03/71/323210371.db2.gz OTOQLBDIMYIYRS-AWEZNQCLSA-N 0 3 309.369 3.442 50 0 DGAAHN CC(C)=CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000080027187 331683305 /nfs/dbraw/zinc/68/33/05/331683305.db2.gz RBOZLWSSHYWDKP-UHFFFAOYSA-N 0 3 304.409 3.120 50 0 DGAAHN CCOC(=O)N1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)C1 ZINC000534641479 334311477 /nfs/dbraw/zinc/31/14/77/334311477.db2.gz RNDOPNHYMIOWGX-CQSZACIVSA-N 0 3 308.809 3.150 50 0 DGAAHN CN(C)Cc1ccc(CNC(=O)N2CCCCCCC2)cc1 ZINC000534654500 334313514 /nfs/dbraw/zinc/31/35/14/334313514.db2.gz FJYPUIMXCGCZGS-UHFFFAOYSA-N 0 3 303.450 3.224 50 0 DGAAHN CCOc1ccc(C(=O)NC(C)(C)CN2CCCCCC2)o1 ZINC000534672468 334321022 /nfs/dbraw/zinc/32/10/22/334321022.db2.gz CJIOPFAEANTPFX-UHFFFAOYSA-N 0 3 308.422 3.063 50 0 DGAAHN Cc1ccc(CN2CCC(n3cc(Br)cn3)CC2)o1 ZINC000328586965 533920056 /nfs/dbraw/zinc/92/00/56/533920056.db2.gz SKMLXFVUUYDTDL-UHFFFAOYSA-N 0 3 324.222 3.384 50 0 DGAAHN Cc1cccn2c(=O)cc(CN3CC[C@H]4CCCC[C@H]4C3)nc12 ZINC000252452510 534839681 /nfs/dbraw/zinc/83/96/81/534839681.db2.gz MPTQRAIMBWSTCP-CVEARBPZSA-N 0 3 311.429 3.015 50 0 DGAAHN CC(C)N(C)c1ccc(CN2CC[C@@H](C3CCOCC3)C2)cn1 ZINC000328588837 528841819 /nfs/dbraw/zinc/84/18/19/528841819.db2.gz RLSDVJJRLZTKOD-GOSISDBHSA-N 0 3 317.477 3.175 50 0 DGAAHN Cc1ncc(CNC[C@@H](O)c2cccs2)n1-c1ccccc1 ZINC000084045553 545782742 /nfs/dbraw/zinc/78/27/42/545782742.db2.gz SAJKXQNPUQZDGW-MRXNPFEDSA-N 0 3 313.426 3.065 50 0 DGAAHN CC[C@@H]1CC[C@H](NCc2nnc3n2C[C@H](C(F)(F)F)CC3)C1 ZINC000084735444 545794267 /nfs/dbraw/zinc/79/42/67/545794267.db2.gz LEBDKGSREWHYOJ-UTUOFQBUSA-N 0 3 316.371 3.071 50 0 DGAAHN CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(Cl)o1 ZINC000084736344 545794489 /nfs/dbraw/zinc/79/44/89/545794489.db2.gz FKDNWEDGDOKBFT-OCCSQVGLSA-N 0 3 312.841 3.306 50 0 DGAAHN c1n[nH]cc1[C@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000092810199 545851423 /nfs/dbraw/zinc/85/14/23/545851423.db2.gz FQFGZRMFEXSPLO-HNNXBMFYSA-N 0 3 307.401 3.179 50 0 DGAAHN COc1ccccc1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000193441369 546242920 /nfs/dbraw/zinc/24/29/20/546242920.db2.gz XJGOFDGIFHFGFD-GOSISDBHSA-N 0 3 320.392 3.278 50 0 DGAAHN O=C(NCc1ccc2ccccc2n1)C1(N2CCCC2)CCCC1 ZINC000215125525 546262114 /nfs/dbraw/zinc/26/21/14/546262114.db2.gz QHZOWINXHSBSHV-UHFFFAOYSA-N 0 3 323.440 3.260 50 0 DGAAHN CCCCOc1c(CN2CC[C@@H](C(C)(C)O)C2)cccc1OC ZINC000670450742 547756290 /nfs/dbraw/zinc/75/62/90/547756290.db2.gz UPODTBDLWZMKHA-MRXNPFEDSA-N 0 3 321.461 3.467 50 0 DGAAHN COc1ccnc([C@@H](C)NCCn2c(C)nc3ccccc32)c1 ZINC000863984337 621724628 /nfs/dbraw/zinc/72/46/28/621724628.db2.gz TXCOTUAFFJQGFP-CYBMUJFWSA-N 0 3 310.401 3.099 50 0 DGAAHN C[C@@H]1c2ccccc2CCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000106862659 627545087 /nfs/dbraw/zinc/54/50/87/627545087.db2.gz NDSWTNRXSQVDOE-CQSZACIVSA-N 0 3 319.408 3.085 50 0 DGAAHN Cc1cccc(CN2CCC[C@@H](CCC(=O)N3CCCC3)C2)n1 ZINC000012320919 660529057 /nfs/dbraw/zinc/52/90/57/660529057.db2.gz BRHRRHBMXHJFSQ-KRWDZBQOSA-N 0 3 315.461 3.005 50 0 DGAAHN Clc1ccc(-c2cnnc(NCCN3CCCCC3)n2)cc1 ZINC000012441888 660597318 /nfs/dbraw/zinc/59/73/18/660597318.db2.gz IPILZJSMZXMGMY-UHFFFAOYSA-N 0 3 317.824 3.090 50 0 DGAAHN Cc1cc(CCN2CCC([C@H](O)c3cccs3)CC2)on1 ZINC000019148373 658655932 /nfs/dbraw/zinc/65/59/32/658655932.db2.gz HACOZTKNDDZPOQ-INIZCTEOSA-N 0 3 306.431 3.033 50 0 DGAAHN c1csc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)n1 ZINC000020996408 658725791 /nfs/dbraw/zinc/72/57/91/658725791.db2.gz LUUBJVKUUPFXEB-KRWDZBQOSA-N 0 3 313.470 3.166 50 0 DGAAHN CCC(CC)n1nc(C(=O)NCCN2CCCC[C@H]2C)cc1C ZINC000180400038 659961669 /nfs/dbraw/zinc/96/16/69/659961669.db2.gz DHUGQDONUBGGCO-CQSZACIVSA-N 0 3 320.481 3.157 50 0 DGAAHN C/C(=C\c1ccco1)CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091381939 662302459 /nfs/dbraw/zinc/30/24/59/662302459.db2.gz MZFHFTYZUAVJLK-XUNQVJEASA-N 0 3 319.445 3.182 50 0 DGAAHN Cc1c(CN[C@@H](C)c2ccccc2-n2cccn2)cc(C#N)n1C ZINC000151824659 685094631 /nfs/dbraw/zinc/09/46/31/685094631.db2.gz JIPWFCPENWWLIT-AWEZNQCLSA-N 0 3 319.412 3.242 50 0 DGAAHN Cc1ncc(Cl)c(NC[C@H]2CCCN(Cc3ccco3)C2)n1 ZINC001772710950 1176676926 /nfs/dbraw/zinc/67/69/26/1176676926.db2.gz UJEGTGZHBSQSGS-CYBMUJFWSA-N 0 3 320.824 3.356 50 0 DGAAHN Cc1cc(F)ccc1N1CCC(N2CCO[C@H](C3CC3)C2)CC1 ZINC001506417016 1186225208 /nfs/dbraw/zinc/22/52/08/1186225208.db2.gz JNMJAZILAAEAAR-IBGZPJMESA-N 0 3 318.436 3.214 50 0 DGAAHN CC[C@H](C(=O)NCCc1cccc(C(F)(F)F)c1)N(C)CC ZINC000822555088 1091665047 /nfs/dbraw/zinc/66/50/47/1091665047.db2.gz NWHXPUDBCSLGPY-CQSZACIVSA-N 0 3 316.367 3.094 50 0 DGAAHN Cc1cccc2nc(CN(C)C(C)(C)c3ccccc3)cc(=O)n12 ZINC000585081347 1094972130 /nfs/dbraw/zinc/97/21/30/1094972130.db2.gz JADFJIGZQPCUHY-UHFFFAOYSA-N 0 3 321.424 3.370 50 0 DGAAHN c1nc(C2OCCO2)sc1CN1CCCC[C@@H]1C1CCC1 ZINC000585089103 1094991932 /nfs/dbraw/zinc/99/19/32/1094991932.db2.gz JLECHUAEIHYVKB-CQSZACIVSA-N 0 3 308.447 3.343 50 0 DGAAHN FC(F)(F)c1cc([C@@H]2CCCN(CCOCC3CC3)C2)[nH]n1 ZINC000078900975 185126382 /nfs/dbraw/zinc/12/63/82/185126382.db2.gz NRAJCDXOLKFZPB-GFCCVEGCSA-N 0 3 317.355 3.035 50 0 DGAAHN COc1ccc([C@@H](CO)N(C)Cc2cccc3cccnc32)cc1 ZINC000079091284 185156905 /nfs/dbraw/zinc/15/69/05/185156905.db2.gz UEMILVPRHIJXTG-LJQANCHMSA-N 0 3 322.408 3.409 50 0 DGAAHN CC[C@H](C)c1ccc([C@H](N[C@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000103317855 432006439 /nfs/dbraw/zinc/00/64/39/432006439.db2.gz YVZLENUKTCTYMI-WOSRLPQWSA-N 0 3 319.449 3.070 50 0 DGAAHN CC[C@H](C)c1ccc([C@@H](N[C@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000103317860 432006837 /nfs/dbraw/zinc/00/68/37/432006837.db2.gz YVZLENUKTCTYMI-ZENOOKHLSA-N 0 3 319.449 3.070 50 0 DGAAHN COc1ccc([C@H](C)[C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000095419781 185360196 /nfs/dbraw/zinc/36/01/96/185360196.db2.gz COLKJQJEDXWCCX-GLJUWKHASA-N 0 3 312.413 3.003 50 0 DGAAHN C[C@H](CCCO)NCc1cc(Br)ccc1Cl ZINC000095425782 185361770 /nfs/dbraw/zinc/36/17/70/185361770.db2.gz VXMKHTBCFRPZRX-SECBINFHSA-N 0 3 306.631 3.353 50 0 DGAAHN CNCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000095427854 185362109 /nfs/dbraw/zinc/36/21/09/185362109.db2.gz JLHGIQTYOUNHNM-CABCVRRESA-N 0 3 316.351 3.426 50 0 DGAAHN C[C@@H](CCc1cccc(F)c1)NCc1cc(C(N)=O)cs1 ZINC000095427544 185362131 /nfs/dbraw/zinc/36/21/31/185362131.db2.gz ARTFSPYINPPLTD-NSHDSACASA-N 0 3 306.406 3.097 50 0 DGAAHN C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 ZINC000095422121 185360861 /nfs/dbraw/zinc/36/08/61/185360861.db2.gz HAOVAOKSOIUZBQ-IAQYHMDHSA-N 0 3 321.346 3.428 50 0 DGAAHN C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000095423908 185361029 /nfs/dbraw/zinc/36/10/29/185361029.db2.gz NRKKRGGMOJABBG-YVEFUNNKSA-N 0 3 322.399 3.407 50 0 DGAAHN COc1ccc([C@@H](C)NCCc2ncc(C)s2)c(OC)c1 ZINC000095423300 185361151 /nfs/dbraw/zinc/36/11/51/185361151.db2.gz DWYQZCGUEHKTDF-GFCCVEGCSA-N 0 3 306.431 3.362 50 0 DGAAHN CN1CC[C@H](NCc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437472 185365479 /nfs/dbraw/zinc/36/54/79/185365479.db2.gz LELRQQNRHZALPD-IRXDYDNUSA-N 0 3 319.811 3.409 50 0 DGAAHN C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 ZINC000095463499 185371299 /nfs/dbraw/zinc/37/12/99/185371299.db2.gz UDNJZZKHWSPBAF-KBXCAEBGSA-N 0 3 317.429 3.443 50 0 DGAAHN C/C=C/C=C/C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000064522085 432008566 /nfs/dbraw/zinc/00/85/66/432008566.db2.gz XYQCFAOVDGNYGH-DTTRKSNRSA-N 0 3 304.459 3.209 50 0 DGAAHN CC(C)c1nc2ccc(C(=O)NCCN3CCCCC3)cc2o1 ZINC000064968288 432009832 /nfs/dbraw/zinc/00/98/32/432009832.db2.gz SWUPGKWPETUMJI-UHFFFAOYSA-N 0 3 315.417 3.167 50 0 DGAAHN CC[C@H](CO)N(C/C(C)=C/c1ccco1)Cc1ccccn1 ZINC000065382959 432011860 /nfs/dbraw/zinc/01/18/60/432011860.db2.gz RPLNOPIYEIDWIA-GSPCDJLXSA-N 0 3 300.402 3.351 50 0 DGAAHN Cc1nc(C)n(C[C@H]2CCCN(C/C=C\c3ccccc3)C2)n1 ZINC000104065821 432014110 /nfs/dbraw/zinc/01/41/10/432014110.db2.gz UXTXXKRZRVDOOT-SMTIMMHKSA-N 0 3 310.445 3.320 50 0 DGAAHN C[C@H](C(=O)Nc1nc(C2CC2)cs1)[C@H](N)c1ccccc1 ZINC000130342483 432021997 /nfs/dbraw/zinc/02/19/97/432021997.db2.gz DMGJNSJHVRWKJU-HZMBPMFUSA-N 0 3 301.415 3.295 50 0 DGAAHN Cc1cc(C2CCC2)nc(N2CC(N3CCCC[C@@H]3C)C2)n1 ZINC000071748896 191021375 /nfs/dbraw/zinc/02/13/75/191021375.db2.gz YCRUZLDIPPATDJ-AWEZNQCLSA-N 0 3 300.450 3.116 50 0 DGAAHN CC(C)[C@H]1CN(C(=O)N(C)C)CCCN1Cc1ccc(F)cc1 ZINC000071749791 191022109 /nfs/dbraw/zinc/02/21/09/191022109.db2.gz QZAIQYINWDYYIM-QGZVFWFLSA-N 0 3 321.440 3.040 50 0 DGAAHN CN1CCC([C@]2(O)c3ccccc3COc3ccccc32)CC1 ZINC000071769475 191030142 /nfs/dbraw/zinc/03/01/42/191030142.db2.gz QJUCAFBRQKXQCH-FQEVSTJZSA-N 0 3 309.409 3.157 50 0 DGAAHN O=C(Cc1ccccc1)[C@H]1CCCN(CCc2ccccn2)C1 ZINC000072154999 191059525 /nfs/dbraw/zinc/05/95/25/191059525.db2.gz ADIVSKUEMRIXSH-SFHVURJKSA-N 0 3 308.425 3.148 50 0 DGAAHN OCc1cc(CN[C@H]2CCCNc3ccccc32)ccc1F ZINC000225576484 186280016 /nfs/dbraw/zinc/28/00/16/186280016.db2.gz AMCTYVCQTUEZCW-SFHVURJKSA-N 0 3 300.377 3.355 50 0 DGAAHN CCN(Cc1ccc2[nH]ccc2c1)C(=O)[C@H]1CCCN1C1CC1 ZINC000225628265 186284740 /nfs/dbraw/zinc/28/47/40/186284740.db2.gz QXIMMUXCKOIXTL-GOSISDBHSA-N 0 3 311.429 3.143 50 0 DGAAHN Cc1ccc([C@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1F ZINC000237499241 186297720 /nfs/dbraw/zinc/29/77/20/186297720.db2.gz FFRJZRWWVUOBNM-XJKSGUPXSA-N 0 3 300.377 3.054 50 0 DGAAHN CC(C)=CCCN1CCN(Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000072422643 191159060 /nfs/dbraw/zinc/15/90/60/191159060.db2.gz XAAAXFRBOSNQLC-FQEVSTJZSA-N 0 3 316.489 3.220 50 0 DGAAHN Cc1nc(CN2CCCN(CCCc3ccccc3)CC2)co1 ZINC000072431897 191164650 /nfs/dbraw/zinc/16/46/50/191164650.db2.gz SLCWYKKKHKTQOE-UHFFFAOYSA-N 0 3 313.445 3.124 50 0 DGAAHN Cc1cc(C)c(OCCOCCN(C)C)c(Br)c1 ZINC000002822447 180961728 /nfs/dbraw/zinc/96/17/28/180961728.db2.gz RBNZKTBQGMQYAQ-UHFFFAOYSA-N 0 3 316.239 3.023 50 0 DGAAHN Cc1ccc(N2C(=O)C[C@@H](NC[C@H](C)c3ccccc3)C2=O)cc1 ZINC000004163968 181080331 /nfs/dbraw/zinc/08/03/31/181080331.db2.gz YWJWWPVGOBPONZ-MAUKXSAKSA-N 0 3 322.408 3.020 50 0 DGAAHN Cc1cccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000004700487 181139070 /nfs/dbraw/zinc/13/90/70/181139070.db2.gz JAXNXOCHHZCPRW-KRWDZBQOSA-N 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316.367 3.059 50 0 DGAAHN Cc1ccc(N2C(=O)C[C@H](N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000169620462 432071560 /nfs/dbraw/zinc/07/15/60/432071560.db2.gz FICKTBOMIPGRMD-WTTBNOFXSA-N 0 3 314.429 3.041 50 0 DGAAHN COc1ccc2c(c1)[C@H](NCCc1nc(C)no1)CCCS2 ZINC000188176039 200204568 /nfs/dbraw/zinc/20/45/68/200204568.db2.gz GFEDFXFIMNAYQE-CQSZACIVSA-N 0 3 319.430 3.146 50 0 DGAAHN Cc1cccnc1[C@@H]1CCC[C@H](N(C)[C@@H](C)C[S@](C)=O)C1 ZINC000281169209 216127167 /nfs/dbraw/zinc/12/71/67/216127167.db2.gz GUCFOASIHQVRTE-YJXLLHPSSA-N 0 3 308.491 3.115 50 0 DGAAHN CC(=O)Nc1cccc([C@@H](C)NC[C@@]2(O)CCc3ccccc32)c1 ZINC000090780107 192932642 /nfs/dbraw/zinc/93/26/42/192932642.db2.gz DOGDSMWIVWTNCD-VLIAUNLRSA-N 0 3 324.424 3.130 50 0 DGAAHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc(O)c1 ZINC000194938301 201313292 /nfs/dbraw/zinc/31/32/92/201313292.db2.gz UQQAUDWSBUVHQU-UONOGXRCSA-N 0 3 308.385 3.385 50 0 DGAAHN COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000195548518 201405089 /nfs/dbraw/zinc/40/50/89/201405089.db2.gz RFDPTZQQZIRLQG-DOTOQJQBSA-N 0 3 301.386 3.376 50 0 DGAAHN O[C@H](COc1cc(Cl)ccc1Cl)CN1CCCCC1 ZINC000006790649 181389836 /nfs/dbraw/zinc/38/98/36/181389836.db2.gz VVSOPLKCVXOPGR-LBPRGKRZSA-N 0 3 304.217 3.219 50 0 DGAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCN2CCC[C@H]2C1 ZINC000091462390 193059484 /nfs/dbraw/zinc/05/94/84/193059484.db2.gz RZKORICPXCHTMV-HNNXBMFYSA-N 0 3 311.429 3.013 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c(F)cccc1Cl)C2 ZINC000091468612 193059994 /nfs/dbraw/zinc/05/99/94/193059994.db2.gz DFVJNXLJJDZZQK-CHWSQXEVSA-N 0 3 324.827 3.426 50 0 DGAAHN O=c1cc(C[NH2+]CCCOC2CCCC2)[n-]c2c(F)cccc12 ZINC000091646044 193084539 /nfs/dbraw/zinc/08/45/39/193084539.db2.gz QTAHXXODIIZCHP-UHFFFAOYSA-N 0 3 318.392 3.106 50 0 DGAAHN CC1(C)C[C@@H](CN2CCN(CCc3ccccc3)CC2)CCO1 ZINC000223430533 201644834 /nfs/dbraw/zinc/64/48/34/201644834.db2.gz URZQOXQVBYRPPY-IBGZPJMESA-N 0 3 316.489 3.052 50 0 DGAAHN O=C(NCCN1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016580067 182050478 /nfs/dbraw/zinc/05/04/78/182050478.db2.gz QXEWSVFFAZQEDT-UHFFFAOYSA-N 0 3 301.217 3.209 50 0 DGAAHN CC[C@@H]1CCc2sc(C(=O)NC3CCN(CC)CC3)cc2C1 ZINC000016605326 182053385 /nfs/dbraw/zinc/05/33/85/182053385.db2.gz JJSWCYYRVPCFAF-CYBMUJFWSA-N 0 3 320.502 3.477 50 0 DGAAHN CC(C)[C@@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000016695462 182058317 /nfs/dbraw/zinc/05/83/17/182058317.db2.gz QVCGUUPUKLDRIL-QGZVFWFLSA-N 0 3 304.365 3.022 50 0 DGAAHN COCCCNCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000017309962 182082688 /nfs/dbraw/zinc/08/26/88/182082688.db2.gz WDKWIKPLVWLQTQ-UHFFFAOYSA-N 0 3 312.413 3.373 50 0 DGAAHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000018180467 182097083 /nfs/dbraw/zinc/09/70/83/182097083.db2.gz BSSFCJIJJCHFND-QGZVFWFLSA-N 0 3 313.376 3.222 50 0 DGAAHN CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019503739 182126725 /nfs/dbraw/zinc/12/67/25/182126725.db2.gz OKEHZNQWEGKNBO-UHFFFAOYSA-N 0 3 308.425 3.385 50 0 DGAAHN COc1ccccc1CN1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000019842118 182155551 /nfs/dbraw/zinc/15/55/51/182155551.db2.gz IMJWQTVSBYSWEY-AEFFLSMTSA-N 0 3 302.462 3.392 50 0 DGAAHN CC(C)N1CCN(Cc2cccc3ccccc32)C[C@@H]1CCO ZINC000019842012 182156084 /nfs/dbraw/zinc/15/60/84/182156084.db2.gz NSMFVORCRHTDAV-IBGZPJMESA-N 0 3 312.457 3.117 50 0 DGAAHN O=C(NC1CC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019905418 182162162 /nfs/dbraw/zinc/16/21/62/182162162.db2.gz NNFXYCNCDQUOEO-UHFFFAOYSA-N 0 3 306.409 3.137 50 0 DGAAHN O=C1C[C@H](NC2CCCCC2)C(=O)N1c1cccc2ccccc21 ZINC000020271900 182201825 /nfs/dbraw/zinc/20/18/25/182201825.db2.gz FRCDLXNELRDKBO-KRWDZBQOSA-N 0 3 322.408 3.394 50 0 DGAAHN COc1cc(C[NH2+][C@H]2COc3ccccc3C2)cc(Cl)c1[O-] ZINC000020515100 182226479 /nfs/dbraw/zinc/22/64/79/182226479.db2.gz DOGPIVZKOIVNIL-CYBMUJFWSA-N 0 3 319.788 3.148 50 0 DGAAHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OC ZINC000022076104 182308173 /nfs/dbraw/zinc/30/81/73/182308173.db2.gz YOEJTRBSWUDLSM-HNNXBMFYSA-N 0 3 321.804 3.180 50 0 DGAAHN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)NCC2 ZINC000022405265 182321044 /nfs/dbraw/zinc/32/10/44/182321044.db2.gz OWLXVRYRDSZRJB-MRXNPFEDSA-N 0 3 317.360 3.109 50 0 DGAAHN Cc1cc(C)cc(OCCCCCCN2CCN(C)CC2)c1 ZINC000022872398 182338712 /nfs/dbraw/zinc/33/87/12/182338712.db2.gz BBUCFZGBZDSDBK-UHFFFAOYSA-N 0 3 304.478 3.490 50 0 DGAAHN O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc(F)cc1 ZINC000023128013 182349298 /nfs/dbraw/zinc/34/92/98/182349298.db2.gz ABJUNJGEXYNWCT-UHFFFAOYSA-N 0 3 316.376 3.061 50 0 DGAAHN Cc1cccc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)n1 ZINC000023374670 182358741 /nfs/dbraw/zinc/35/87/41/182358741.db2.gz IUDICURRQBTOTJ-FQEVSTJZSA-N 0 3 309.457 3.486 50 0 DGAAHN CN(C)Cc1ccccc1NC(=O)c1cncn1-c1ccccc1 ZINC000024810322 182391544 /nfs/dbraw/zinc/39/15/44/182391544.db2.gz QAJOZHOLDUSZDL-UHFFFAOYSA-N 0 3 320.396 3.186 50 0 DGAAHN O=C(/C=C/c1ccco1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000032763392 182660761 /nfs/dbraw/zinc/66/07/61/182660761.db2.gz LUXZEXMUWCMMAZ-KIUWMYQTSA-N 0 3 316.426 3.308 50 0 DGAAHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1F 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CC[C@@H](NCc1c(C)cc(C)c(CO)c1C)c1ccnn1C ZINC000055242726 183973567 /nfs/dbraw/zinc/97/35/67/183973567.db2.gz XNDRDZZCTRNBBC-QGZVFWFLSA-N 0 3 301.434 3.079 50 0 DGAAHN CCNC(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000057867942 184059020 /nfs/dbraw/zinc/05/90/20/184059020.db2.gz AQJDLFKZPQPQNH-ZDUSSCGKSA-N 0 3 314.351 3.054 50 0 DGAAHN CCN1CCC[C@H]1CNC(=S)N[C@@H]1CCCc2ccccc21 ZINC000058143858 184080888 /nfs/dbraw/zinc/08/08/88/184080888.db2.gz QKFCKSODGLQKOW-DOTOQJQBSA-N 0 3 317.502 3.012 50 0 DGAAHN C[C@H](C(=O)NC1CC1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058281909 184099416 /nfs/dbraw/zinc/09/94/16/184099416.db2.gz BXJLVIUMZJRNLC-CYBMUJFWSA-N 0 3 311.429 3.014 50 0 DGAAHN Cc1nn(-c2ccccc2)c(C)c1CN1CCN(C(C)C)CC1 ZINC000065154914 184312693 /nfs/dbraw/zinc/31/26/93/184312693.db2.gz HCGGSEFSKJAZPM-UHFFFAOYSA-N 0 3 312.461 3.015 50 0 DGAAHN CCOC(=O)[C@@H]1CCCN(Cc2cnoc2-c2ccccc2)C1 ZINC000065288888 184323456 /nfs/dbraw/zinc/32/34/56/184323456.db2.gz OVDDMOHZQUSKKQ-OAHLLOKOSA-N 0 3 314.385 3.117 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0 DGAAHN Cc1cc2c(cc1CN1CCC3(CCOCC3)CC1)OCCO2 ZINC000215299633 292010393 /nfs/dbraw/zinc/01/03/93/292010393.db2.gz ARNAICARNVYIDK-UHFFFAOYSA-N 0 3 317.429 3.159 50 0 DGAAHN C(=C/c1ccccc1)\CN1CCN(C2Cc3ccccc3C2)CC1 ZINC000023283334 400208636 /nfs/dbraw/zinc/20/86/36/400208636.db2.gz QQDKMFCOKNYNFZ-RMKNXTFCSA-N 0 3 318.464 3.485 50 0 DGAAHN Cc1ccc(S(=O)(=O)CCC2(N(C)C)CCCCC2)cc1 ZINC000096027432 400274308 /nfs/dbraw/zinc/27/43/08/400274308.db2.gz OIFBYPCWRRQKQT-UHFFFAOYSA-N 0 3 309.475 3.423 50 0 DGAAHN C[C@@H](NC(=O)CCN(C)Cc1cccc(O)c1)c1ccccc1 ZINC000072308183 400381490 /nfs/dbraw/zinc/38/14/90/400381490.db2.gz MQSZWSSXEZPXPI-OAHLLOKOSA-N 0 3 312.413 3.092 50 0 DGAAHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1cccnc1 ZINC000106909209 400332904 /nfs/dbraw/zinc/33/29/04/400332904.db2.gz KGYSGEAUBFJHIR-DJIMGWMZSA-N 0 3 301.434 3.008 50 0 DGAAHN CS[C@@H]1CCC[C@H]1N(C)CC(=O)N[C@H](C)c1cccs1 ZINC000110642546 400358810 /nfs/dbraw/zinc/35/88/10/400358810.db2.gz JFAKIHSRALTZPJ-YRGRVCCFSA-N 0 3 312.504 3.141 50 0 DGAAHN Cc1cnn([C@H](C)[C@H](C)NCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000071882222 400372146 /nfs/dbraw/zinc/37/21/46/400372146.db2.gz LQTXGYFNSLUSRN-UONOGXRCSA-N 0 3 313.405 3.222 50 0 DGAAHN COc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000162409047 400745664 /nfs/dbraw/zinc/74/56/64/400745664.db2.gz CRWYEIAFULYWPF-GXTWGEPZSA-N 0 3 301.390 3.414 50 0 DGAAHN CCCCS[C@@H](C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000170599154 400764517 /nfs/dbraw/zinc/76/45/17/400764517.db2.gz ZXELEAJHYFKAAB-LSDHHAIUSA-N 0 3 300.512 3.241 50 0 DGAAHN CC(C)(O)CSCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000195557656 400925699 /nfs/dbraw/zinc/92/56/99/400925699.db2.gz SBLNFJXRPHZCFF-AWEZNQCLSA-N 0 3 313.438 3.133 50 0 DGAAHN Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000245343842 401004903 /nfs/dbraw/zinc/00/49/03/401004903.db2.gz VZEHTFKFVMELPT-SOLBZPMBSA-N 0 3 317.477 3.346 50 0 DGAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000248162471 401067745 /nfs/dbraw/zinc/06/77/45/401067745.db2.gz YHKWPELUJJITLL-HUUCEWRRSA-N 0 3 304.459 3.324 50 0 DGAAHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccnc2)[C@H]1Oc1ccccc1 ZINC000359666330 286356881 /nfs/dbraw/zinc/35/68/81/286356881.db2.gz WCJQUKPIDUQRGX-ZWQIFLOQSA-N 0 3 312.413 3.357 50 0 DGAAHN COc1ccc2c(c1)CCC[C@@H]2NCC[S@@](=O)C(C)(C)C ZINC000127547184 286393043 /nfs/dbraw/zinc/39/30/43/286393043.db2.gz RLQNUNMHSJFKPX-KKSFZXQISA-N 0 3 309.475 3.209 50 0 DGAAHN c1ccc2c(c1)oc1c2ncnc1N1CC[C@@H](N2CCCC2)C1 ZINC000095469696 275071657 /nfs/dbraw/zinc/07/16/57/275071657.db2.gz HCIONTDFXZASLL-CYBMUJFWSA-N 0 3 308.385 3.051 50 0 DGAAHN CC(C)n1cc2cc(NC(=O)[C@@]3(C)CCCCN3)ccc2n1 ZINC000236799447 275784619 /nfs/dbraw/zinc/78/46/19/275784619.db2.gz MRGNRVCEQBYTAS-QGZVFWFLSA-N 0 3 300.406 3.088 50 0 DGAAHN CCN(Cc1noc(C)n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000069561595 276355682 /nfs/dbraw/zinc/35/56/82/276355682.db2.gz GZOSKPZWDFGHEP-YOEHRIQHSA-N 0 3 314.433 3.035 50 0 DGAAHN CC(C)C(=O)N(Cc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000034928823 277327430 /nfs/dbraw/zinc/32/74/30/277327430.db2.gz LRMRNQUUYIWSQD-UHFFFAOYSA-N 0 3 324.424 3.358 50 0 DGAAHN CC(=O)N1[C@@H](NC2CCCCC2)C[C@H](C)N1c1ccccc1 ZINC000004723600 278075105 /nfs/dbraw/zinc/07/51/05/278075105.db2.gz ZKJKFUBVDNZNIV-KBXCAEBGSA-N 0 3 301.434 3.297 50 0 DGAAHN C[C@@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000090518247 278233963 /nfs/dbraw/zinc/23/39/63/278233963.db2.gz RBUMWEATONXZAT-XLDJFRKUSA-N 0 3 307.459 3.180 50 0 DGAAHN Cc1cc(F)ccc1N1CCC[C@@H](NC2CCSCC2)C1=O ZINC000095398197 278700787 /nfs/dbraw/zinc/70/07/87/278700787.db2.gz FAEHTTRUVPCCCP-OAHLLOKOSA-N 0 3 322.449 3.115 50 0 DGAAHN C[C@H](Cn1cncn1)N[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000097034476 279389527 /nfs/dbraw/zinc/38/95/27/279389527.db2.gz BCGZDQBKUYFISC-GHMZBOCLSA-N 0 3 304.781 3.417 50 0 DGAAHN COc1ccc(C(=O)N2CCN(C3CCCCCC3)CC2)cc1 ZINC000000314158 431165126 /nfs/dbraw/zinc/16/51/26/431165126.db2.gz ARZYLHULRGEVPI-UHFFFAOYSA-N 0 3 316.445 3.176 50 0 DGAAHN Cc1ccc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069171381 431167014 /nfs/dbraw/zinc/16/70/14/431167014.db2.gz FYUORFZAMITFQZ-NRFANRHFSA-N 0 3 323.484 3.073 50 0 DGAAHN C[C@H](NCc1cnc(-c2ccccc2)nc1)[C@H](C)n1cccn1 ZINC000069434598 431185875 /nfs/dbraw/zinc/18/58/75/431185875.db2.gz NPJUIGHPMBVODV-GJZGRUSLSA-N 0 3 307.401 3.079 50 0 DGAAHN CN1CCC(OC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000000523633 431196498 /nfs/dbraw/zinc/19/64/98/431196498.db2.gz WWQKUFMZLAMMJO-UHFFFAOYSA-N 0 3 318.200 3.010 50 0 DGAAHN Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c(C)o1 ZINC000069601366 431202682 /nfs/dbraw/zinc/20/26/82/431202682.db2.gz FRBDTGHNDFXITC-RRQGHBQHSA-N 0 3 304.434 3.085 50 0 DGAAHN COc1cccc(C(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000000783084 431207176 /nfs/dbraw/zinc/20/71/76/431207176.db2.gz IPVDLPHKSIXDEZ-WBVHZDCISA-N 0 3 316.445 3.032 50 0 DGAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000069699785 431213313 /nfs/dbraw/zinc/21/33/13/431213313.db2.gz NGWGUYMFIHZAEM-CABCVRRESA-N 0 3 310.800 3.178 50 0 DGAAHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000069771507 431219192 /nfs/dbraw/zinc/21/91/92/431219192.db2.gz OLSKGRSJTGAYCX-LLVKDONJSA-N 0 3 318.314 3.011 50 0 DGAAHN CCOC1CCN(CCc2ncc(-c3ccccc3)o2)CC1 ZINC000069816831 431226798 /nfs/dbraw/zinc/22/67/98/431226798.db2.gz MTAICJSQNLLHJY-UHFFFAOYSA-N 0 3 300.402 3.385 50 0 DGAAHN O=C(c1cc(F)ccc1F)N1CCCC[C@@H](N2CCCC2)C1 ZINC000069980593 431237049 /nfs/dbraw/zinc/23/70/49/431237049.db2.gz RVLIMPIUPBYNPX-CQSZACIVSA-N 0 3 308.372 3.055 50 0 DGAAHN CCN1CCC[C@@H](c2nccn2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC000071422398 431279780 /nfs/dbraw/zinc/27/97/80/431279780.db2.gz GJUZAEGWPGLLNJ-MRXNPFEDSA-N 0 3 321.428 3.462 50 0 DGAAHN CN(C)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000003341074 431289469 /nfs/dbraw/zinc/28/94/69/431289469.db2.gz XAXHIPVGEGGUJJ-MRXNPFEDSA-N 0 3 308.381 3.466 50 0 DGAAHN CCC(=O)c1ccccc1OCCOCCN1CCC(C)CC1 ZINC000004842819 431304427 /nfs/dbraw/zinc/30/44/27/431304427.db2.gz CLHZGYIHZFWMLX-UHFFFAOYSA-N 0 3 319.445 3.407 50 0 DGAAHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCc1ccccc1Cl ZINC000071880544 431304527 /nfs/dbraw/zinc/30/45/27/431304527.db2.gz KEPSGZVQVMIMLN-ROUUACIJSA-N 0 3 320.864 3.358 50 0 DGAAHN C/C=C1\CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000004824953 431305297 /nfs/dbraw/zinc/30/52/97/431305297.db2.gz VBKQRUUVDAWDIP-KHVMLUJASA-N 0 3 310.397 3.014 50 0 DGAAHN CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000002645140 431261304 /nfs/dbraw/zinc/26/13/04/431261304.db2.gz PLCOWYWDBBRCQR-KRWDZBQOSA-N 0 3 316.832 3.302 50 0 DGAAHN O[C@@H](COc1ccc(Cl)cc1)CN1CCc2ccccc2C1 ZINC000002686980 431263027 /nfs/dbraw/zinc/26/30/27/431263027.db2.gz WRJLNDUZTGPAJR-QGZVFWFLSA-N 0 3 317.816 3.138 50 0 DGAAHN CCOC(=O)[C@H]1CCCN(CCCOc2cccc(C)c2C)C1 ZINC000006727820 431319684 /nfs/dbraw/zinc/31/96/84/431319684.db2.gz PWVWXJZNMITSMN-KRWDZBQOSA-N 0 3 319.445 3.347 50 0 DGAAHN Cc1cccc(CN2CCC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000072167277 431333038 /nfs/dbraw/zinc/33/30/38/431333038.db2.gz DIOMLRSXTSXCFY-HXUWFJFHSA-N 0 3 322.456 3.278 50 0 DGAAHN Cc1cc(C)c(NC(=S)N2CCCN(C)CC2)c(Cl)c1 ZINC000007325791 431342350 /nfs/dbraw/zinc/34/23/50/431342350.db2.gz DVAOLDQANJYOHO-UHFFFAOYSA-N 0 3 311.882 3.291 50 0 DGAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000009062534 431420155 /nfs/dbraw/zinc/42/01/55/431420155.db2.gz LHBZPBNPZBCFEJ-UHFFFAOYSA-N 0 3 320.436 3.488 50 0 DGAAHN CCOc1ccc(Br)cc1CNC[C@@H]1CCCO1 ZINC000008324563 431393726 /nfs/dbraw/zinc/39/37/26/431393726.db2.gz MLFWPKPLDGLVEF-ZDUSSCGKSA-N 0 3 314.223 3.116 50 0 DGAAHN CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000008752869 431411273 /nfs/dbraw/zinc/41/12/73/431411273.db2.gz HUPPGRGUNSEHGK-INIZCTEOSA-N 0 3 301.365 3.250 50 0 DGAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CCC3)C2)c(OC)c1 ZINC000012704315 431522278 /nfs/dbraw/zinc/52/22/78/431522278.db2.gz MKNOOJFMMRTJJM-CYBMUJFWSA-N 0 3 303.402 3.151 50 0 DGAAHN O=C(/C=C/c1ccco1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011818602 431485061 /nfs/dbraw/zinc/48/50/61/431485061.db2.gz HAJYYMDXHURPMK-DOJUMQAQSA-N 0 3 324.424 3.116 50 0 DGAAHN c1cnn(-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 ZINC000012523427 431513115 /nfs/dbraw/zinc/51/31/15/431513115.db2.gz PKQSDHHTBMYENT-UHFFFAOYSA-N 0 3 318.424 3.195 50 0 in-vivo DGAAHN CCN1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013745012 431569280 /nfs/dbraw/zinc/56/92/80/431569280.db2.gz NWADMXZQZFCXLF-UHFFFAOYSA-N 0 3 315.244 3.136 50 0 DGAAHN CCN1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000013744974 431569967 /nfs/dbraw/zinc/56/99/67/431569967.db2.gz WEDPMLGAWIVAQW-ZDUSSCGKSA-N 0 3 324.852 3.016 50 0 DGAAHN COCCC[C@H]1CCCN(Cc2n[nH]c3ccc(OC)cc32)C1 ZINC000077438362 431593152 /nfs/dbraw/zinc/59/31/52/431593152.db2.gz LPJFXHJAQSGAGS-CQSZACIVSA-N 0 3 317.433 3.210 50 0 DGAAHN COCCC[C@H]1CCCN(Cc2[nH]nc3ccc(OC)cc32)C1 ZINC000077438362 431593159 /nfs/dbraw/zinc/59/31/59/431593159.db2.gz LPJFXHJAQSGAGS-CQSZACIVSA-N 0 3 317.433 3.210 50 0 DGAAHN COCCC[C@@H]1CCCN(Cc2n[nH]c3ccc(OC)cc32)C1 ZINC000077438360 431593823 /nfs/dbraw/zinc/59/38/23/431593823.db2.gz LPJFXHJAQSGAGS-AWEZNQCLSA-N 0 3 317.433 3.210 50 0 DGAAHN COCCC[C@@H]1CCCN(Cc2[nH]nc3ccc(OC)cc32)C1 ZINC000077438360 431593828 /nfs/dbraw/zinc/59/38/28/431593828.db2.gz LPJFXHJAQSGAGS-AWEZNQCLSA-N 0 3 317.433 3.210 50 0 DGAAHN COc1ccccc1Oc1ncccc1CNC1CCOCC1 ZINC000014981049 431597052 /nfs/dbraw/zinc/59/70/52/431597052.db2.gz RRIVUAIPPJQBBS-UHFFFAOYSA-N 0 3 314.385 3.151 50 0 DGAAHN COCCC[C@@H]1CCCCN1Cc1nc(C)n2ccccc12 ZINC000077469753 431597939 /nfs/dbraw/zinc/59/79/39/431597939.db2.gz RFQARCUIHYFWIQ-INIZCTEOSA-N 0 3 301.434 3.424 50 0 DGAAHN COCCC[C@@H]1CCCCN1Cc1cn2cc(C)ccc2n1 ZINC000077540622 431607869 /nfs/dbraw/zinc/60/78/69/431607869.db2.gz IBBYIAVCPPLXIF-KRWDZBQOSA-N 0 3 301.434 3.424 50 0 DGAAHN Cc1cc(CN2CCN(c3ccncc3)CC2)c2ccccc2n1 ZINC000020992874 431630774 /nfs/dbraw/zinc/63/07/74/431630774.db2.gz ASXMQWFLSHEFHC-UHFFFAOYSA-N 0 3 318.424 3.260 50 0 DGAAHN CC[C@H](CNC(=O)NC1CCCC1)N1CCc2ccccc2C1 ZINC000031050190 431752711 /nfs/dbraw/zinc/75/27/11/431752711.db2.gz NOAQQSGYKOSLFL-GOSISDBHSA-N 0 3 315.461 3.065 50 0 DGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000032819908 431792698 /nfs/dbraw/zinc/79/26/98/431792698.db2.gz SXKVENRONXMXSF-MRXNPFEDSA-N 0 3 319.408 3.172 50 0 DGAAHN c1ccc2c(c1)OC[C@H](CNCc1cccc3cccnc31)O2 ZINC000032899494 431799827 /nfs/dbraw/zinc/79/98/27/431799827.db2.gz HIYOMLKCLCXLLB-INIZCTEOSA-N 0 3 306.365 3.164 50 0 DGAAHN Cc1ccccc1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000032399824 431776361 /nfs/dbraw/zinc/77/63/61/431776361.db2.gz VAXSFOGGHLLWSS-UHFFFAOYSA-N 0 3 322.452 3.102 50 0 DGAAHN Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000032398802 431776993 /nfs/dbraw/zinc/77/69/93/431776993.db2.gz FWFUYCTVRDQWRY-UHFFFAOYSA-N 0 3 308.425 3.173 50 0 DGAAHN Cc1ccc(CNc2cccc(CN3CCC(CO)CC3)c2)o1 ZINC000086258366 431844246 /nfs/dbraw/zinc/84/42/46/431844246.db2.gz ZOXNUSORCPLEIF-UHFFFAOYSA-N 0 3 314.429 3.404 50 0 DGAAHN Cc1ccc(CN(CC(C)C)C[C@@H](O)COc2ccccc2)o1 ZINC000036097513 431835280 /nfs/dbraw/zinc/83/52/80/431835280.db2.gz FONATRSYZSRQMI-QGZVFWFLSA-N 0 3 317.429 3.486 50 0 DGAAHN Cc1cccc(CN(C[C@@H](O)COc2ccccc2)C2CC2)c1 ZINC000036098793 431835638 /nfs/dbraw/zinc/83/56/38/431835638.db2.gz AKOKHRFGOXFFBM-LJQANCHMSA-N 0 3 311.425 3.399 50 0 DGAAHN COc1ccccc1CN(C[C@@H](O)COC(C)(C)C)C(C)C ZINC000036102859 431836006 /nfs/dbraw/zinc/83/60/06/431836006.db2.gz ZCXBNTQXYZXMCC-MRXNPFEDSA-N 0 3 309.450 3.082 50 0 DGAAHN CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000095459137 431926186 /nfs/dbraw/zinc/92/61/86/431926186.db2.gz FSOYWSRXIMLBTH-SOUVJXGZSA-N 0 3 304.434 3.135 50 0 DGAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc2ccccc2n1 ZINC000048235935 431921635 /nfs/dbraw/zinc/92/16/35/431921635.db2.gz IZJBHEGEBDCIMO-XIKOKIGWSA-N 0 3 320.348 3.402 50 0 DGAAHN CN(C)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000095349197 431923515 /nfs/dbraw/zinc/92/35/15/431923515.db2.gz GCMFNTCLLHNYMD-JTQLQIEISA-N 0 3 302.205 3.161 50 0 DGAAHN CSCCN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095436581 431924670 /nfs/dbraw/zinc/92/46/70/431924670.db2.gz BIHHLAJTWWDWQH-CHWSQXEVSA-N 0 3 305.365 3.176 50 0 DGAAHN C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2ccncc2)CC1 ZINC000089913758 431885804 /nfs/dbraw/zinc/88/58/04/431885804.db2.gz DUXOSCJXOLUFPZ-CQSZACIVSA-N 0 3 314.433 3.250 50 0 DGAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC2)cc1 ZINC000045568003 431886881 /nfs/dbraw/zinc/88/68/81/431886881.db2.gz GJMGZQGLVUSGAW-UHFFFAOYSA-N 0 3 323.440 3.331 50 0 DGAAHN C[C@H]1C[C@H](NCCn2cnnc2C2CC2)c2ccsc2S1 ZINC000090033988 431889319 /nfs/dbraw/zinc/88/93/19/431889319.db2.gz NWXLNTFTKUEBNG-GWCFXTLKSA-N 0 3 320.487 3.432 50 0 DGAAHN CC(C)(CN[C@H]1CCc2c1cc(Cl)cc2Cl)C(N)=O ZINC000095462748 431925976 /nfs/dbraw/zinc/92/59/76/431925976.db2.gz SWCGBFZQZGRHQE-LBPRGKRZSA-N 0 3 301.217 3.082 50 0 DGAAHN Cc1[nH]c2c(cccc2C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)c1C ZINC000097634927 431972445 /nfs/dbraw/zinc/97/24/45/431972445.db2.gz IKWMDJGZGPPBRF-ROUUACIJSA-N 0 3 319.408 3.139 50 0 DGAAHN Cc1nc2ccccc2nc1CN1CCC(c2cc[nH]n2)CC1 ZINC000097759394 431974403 /nfs/dbraw/zinc/97/44/03/431974403.db2.gz IXLNLFDIZTZBBK-UHFFFAOYSA-N 0 3 307.401 3.041 50 0 DGAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2occc2C)s1 ZINC000055227518 431978754 /nfs/dbraw/zinc/97/87/54/431978754.db2.gz KBLGTTDPXGJFKZ-UHFFFAOYSA-N 0 3 306.431 3.162 50 0 DGAAHN CC(C)N(Cc1cc(F)cc(Br)c1)C[C@H](C)O ZINC000095963692 431928742 /nfs/dbraw/zinc/92/87/42/431928742.db2.gz WHBDYJJNRMMESL-JTQLQIEISA-N 0 3 304.203 3.179 50 0 DGAAHN CCn1cnnc1CN[C@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000095967315 431928841 /nfs/dbraw/zinc/92/88/41/431928841.db2.gz LTVMUKGKBRWXSA-ZZFFKQLHSA-N 0 3 302.466 3.383 50 0 DGAAHN CCOc1cccc(CN[C@H]2CCSC2)c1OC(F)F ZINC000095969251 431930019 /nfs/dbraw/zinc/93/00/19/431930019.db2.gz NXNCTSQRYMSQCV-NSHDSACASA-N 0 3 303.374 3.282 50 0 DGAAHN Cc1cc(O)ccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000095976461 431930521 /nfs/dbraw/zinc/93/05/21/431930521.db2.gz JUFDTJDHCWRHMO-KRWDZBQOSA-N 0 3 324.424 3.095 50 0 DGAAHN C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1cccnc1 ZINC000048683234 431930750 /nfs/dbraw/zinc/93/07/50/431930750.db2.gz INLACHUSXPCIKR-HNNXBMFYSA-N 0 3 322.412 3.245 50 0 DGAAHN C[C@H](CNCc1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000095988834 431932617 /nfs/dbraw/zinc/93/26/17/431932617.db2.gz KSBDOLFAWSOPJI-CYBMUJFWSA-N 0 3 302.397 3.037 50 0 DGAAHN Cc1ncsc1CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000095988580 431932656 /nfs/dbraw/zinc/93/26/56/431932656.db2.gz FZHJYTKKDWGFRJ-UKRRQHHQSA-N 0 3 310.369 3.350 50 0 DGAAHN CCOC(=O)c1ccc(CN[C@H]2CCOC3(CCCCC3)C2)o1 ZINC000095988476 431932773 /nfs/dbraw/zinc/93/27/73/431932773.db2.gz SNGCPVVUQFOZHB-AWEZNQCLSA-N 0 3 321.417 3.428 50 0 DGAAHN Nc1ccnc2ccc(-c3cccc(CN4CCOCC4)c3)cc12 ZINC000096164431 431940798 /nfs/dbraw/zinc/94/07/98/431940798.db2.gz XQGVKKWIVUJOMQ-UHFFFAOYSA-N 0 3 319.408 3.316 50 0 DGAAHN C/C(=C\C(=O)N(C)C1CCN(C)CC1)CCc1ccccc1 ZINC000096257562 431943730 /nfs/dbraw/zinc/94/37/30/431943730.db2.gz YECYBXXSAYNPKK-FOCLMDBBSA-N 0 3 300.446 3.118 50 0 DGAAHN FC(F)(F)Oc1cccc(CNCCc2nccs2)c1 ZINC000096403759 431945256 /nfs/dbraw/zinc/94/52/56/431945256.db2.gz OAQHUJUHWQETIC-UHFFFAOYSA-N 0 3 302.321 3.374 50 0 DGAAHN Cc1[nH]cnc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000096429875 431947819 /nfs/dbraw/zinc/94/78/19/431947819.db2.gz FFDPCOUTVBMYIS-INIZCTEOSA-N 0 3 308.341 3.078 50 0 DGAAHN Cc1cc(NC(=O)CCN(C)[C@H](C)c2ccccc2F)no1 ZINC000051407358 431952138 /nfs/dbraw/zinc/95/21/38/431952138.db2.gz OKNKFZMFXGHLHP-GFCCVEGCSA-N 0 3 305.353 3.144 50 0 DGAAHN Cc1cc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)on1 ZINC000096468610 431952269 /nfs/dbraw/zinc/95/22/69/431952269.db2.gz CEOWBGUVUFOUGF-HOCLYGCPSA-N 0 3 304.390 3.444 50 0 DGAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H]1CCSC1 ZINC000096499646 431954353 /nfs/dbraw/zinc/95/43/53/431954353.db2.gz OVWNRSAXHPOXHO-LDYMZIIASA-N 0 3 307.385 3.218 50 0 DGAAHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1cccc2ccccc21 ZINC000052500111 431956194 /nfs/dbraw/zinc/95/61/94/431956194.db2.gz WFSBDTFFBUWMBH-ZBFHGGJFSA-N 0 3 311.429 3.294 50 0 DGAAHN Cc1ccccc1[C@H](C)NCCC(=O)Nc1cc(N)ccc1F ZINC000097032974 431956283 /nfs/dbraw/zinc/95/62/83/431956283.db2.gz YGZDUDPEWDTDPX-ZDUSSCGKSA-N 0 3 315.392 3.396 50 0 DGAAHN Cc1noc(C)c1[C@H](C)NC1CCN(c2nccs2)CC1 ZINC000097036971 431956784 /nfs/dbraw/zinc/95/67/84/431956784.db2.gz RGKCLBQFWXVLHT-JTQLQIEISA-N 0 3 306.435 3.068 50 0 DGAAHN O[C@@]1(CNCc2ccc(Oc3ccccc3)o2)CCSC1 ZINC000097054833 431958480 /nfs/dbraw/zinc/95/84/80/431958480.db2.gz MCDVZWLGTCLHQU-MRXNPFEDSA-N 0 3 305.399 3.030 50 0 DGAAHN COc1ccc([C@H](C)NCc2cnccc2N(C)C)cc1F ZINC000097049524 431958870 /nfs/dbraw/zinc/95/88/70/431958870.db2.gz KCSZFLRNUYXPSY-LBPRGKRZSA-N 0 3 303.381 3.146 50 0 DGAAHN C[C@H](NC1CC(c2ccc(F)cc2)C1)C(=O)N1CCCCC1 ZINC000097084826 431960180 /nfs/dbraw/zinc/96/01/80/431960180.db2.gz XYWDFAQFVUMUJR-KTAKPFMOSA-N 0 3 304.409 3.062 50 0 DGAAHN CC(C)(C)c1n[nH]cc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000097159159 431963151 /nfs/dbraw/zinc/96/31/51/431963151.db2.gz VUPAKQGXARNPFV-HNNXBMFYSA-N 0 3 316.449 3.227 50 0 DGAAHN CC(C)(C)c1n[nH]cc1CNC[C@H](O)c1cccc(Cl)c1 ZINC000097159581 431963338 /nfs/dbraw/zinc/96/33/38/431963338.db2.gz YFXJWUMMZAAFIC-AWEZNQCLSA-N 0 3 307.825 3.184 50 0 DGAAHN CC(C)n1cncc1CN(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000097179502 431964015 /nfs/dbraw/zinc/96/40/15/431964015.db2.gz LZDQAINMTVWBKP-KRWDZBQOSA-N 0 3 312.461 3.422 50 0 DGAAHN Cc1nn(C)cc1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000097235487 431966465 /nfs/dbraw/zinc/96/64/65/431966465.db2.gz PGRAFBRUBUZFHO-UHFFFAOYSA-N 0 3 317.408 3.049 50 0 DGAAHN Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCCC2)nc1 ZINC000071837186 281058845 /nfs/dbraw/zinc/05/88/45/281058845.db2.gz CBCRSMHAEMWHLO-SFHVURJKSA-N 0 3 308.429 3.162 50 0 DGAAHN Cc1cc(CN(C)[C@H](C)c2ccncc2)ccc1-n1cncn1 ZINC000183716331 432319501 /nfs/dbraw/zinc/31/95/01/432319501.db2.gz FANOFRMLUAATIO-OAHLLOKOSA-N 0 3 307.401 3.164 50 0 DGAAHN Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(C)n1 ZINC000248983778 432332220 /nfs/dbraw/zinc/33/22/20/432332220.db2.gz DQROBIMQYHWRHP-ROUUACIJSA-N 0 3 324.428 3.265 50 0 DGAAHN CCc1noc(CC)c1CN[C@@H]1CCc2c(cccc2OC)C1 ZINC000192444493 432374847 /nfs/dbraw/zinc/37/48/47/432374847.db2.gz LQDFKLFHXXLOJB-CQSZACIVSA-N 0 3 314.429 3.455 50 0 DGAAHN CCCCN1CCCC[C@@H]1C(=O)N(C)Cc1ccc(F)cc1 ZINC000252479314 432377841 /nfs/dbraw/zinc/37/78/41/432377841.db2.gz BCWGZBBVCBAQQM-QGZVFWFLSA-N 0 3 306.425 3.439 50 0 DGAAHN CCN(C)c1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000252483721 432378073 /nfs/dbraw/zinc/37/80/73/432378073.db2.gz FHIFAZOCVDOIQV-CYBMUJFWSA-N 0 3 313.401 3.117 50 0 DGAAHN CNCc1cc(CC[C@H]2COc3ccccc3O2)ccc1OC ZINC000252478857 432378106 /nfs/dbraw/zinc/37/81/06/432378106.db2.gz AWIMAVHWXFOMJT-INIZCTEOSA-N 0 3 313.397 3.187 50 0 DGAAHN CCc1nc(C)sc1CN1CCN(C2CCCCC2)CC1 ZINC000252483614 432378355 /nfs/dbraw/zinc/37/83/55/432378355.db2.gz FFYRMEPVQGCSGH-UHFFFAOYSA-N 0 3 307.507 3.464 50 0 DGAAHN Cc1cc([C@@H](C)NCCc2ccc(S(C)(=O)=O)cc2)oc1C ZINC000252498881 432379275 /nfs/dbraw/zinc/37/92/75/432379275.db2.gz ROVADQFTIUSRNB-CYBMUJFWSA-N 0 3 321.442 3.193 50 0 DGAAHN Cc1cc([C@H](C)NCCc2ccc(S(C)(=O)=O)cc2)oc1C ZINC000252498882 432379653 /nfs/dbraw/zinc/37/96/53/432379653.db2.gz ROVADQFTIUSRNB-ZDUSSCGKSA-N 0 3 321.442 3.193 50 0 DGAAHN c1c[nH]c([C@@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)n1 ZINC000252501139 432381422 /nfs/dbraw/zinc/38/14/22/432381422.db2.gz UCWIZQVUXDATAP-QGZVFWFLSA-N 0 3 321.428 3.034 50 0 DGAAHN COc1cc(CN2CCC3(CC[C@@H]3O)CC2)ccc1OC(C)C ZINC000257187527 432416187 /nfs/dbraw/zinc/41/61/87/432416187.db2.gz LULQFASMPCQDHT-SFHVURJKSA-N 0 3 319.445 3.219 50 0 DGAAHN c1sc(CN2CCO[C@@H]3CCCC[C@H]32)cc1CN1CCCC1 ZINC000215960923 432647629 /nfs/dbraw/zinc/64/76/29/432647629.db2.gz ISUQJIPUHISPCH-QZTJIDSGSA-N 0 3 320.502 3.487 50 0 DGAAHN CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccc(C)o3)cc2)C1 ZINC000216220527 432647128 /nfs/dbraw/zinc/64/71/28/432647128.db2.gz LPUCDUQLXPOTFJ-GOSISDBHSA-N 0 3 312.413 3.356 50 0 DGAAHN Fc1ccc(/C=C\CN2CCC(OC3CCOCC3)CC2)cc1 ZINC000222079474 432670496 /nfs/dbraw/zinc/67/04/96/432670496.db2.gz DQNBHUUCCLUHFU-UPHRSURJSA-N 0 3 319.420 3.499 50 0 DGAAHN O[C@@H](c1ccccc1)C1CCN(Cc2cnn3ccccc23)CC1 ZINC000242087960 432817487 /nfs/dbraw/zinc/81/74/87/432817487.db2.gz WAPXIALJWLVYKO-FQEVSTJZSA-N 0 3 321.424 3.280 50 0 DGAAHN CCn1cc(CN2CCC[C@H](c3nccn3C(C)C)C2)cn1 ZINC000243915058 432820032 /nfs/dbraw/zinc/82/00/32/432820032.db2.gz BMILQEKLQWCMHX-INIZCTEOSA-N 0 3 301.438 3.060 50 0 DGAAHN Cc1nc(CN2CCC3(C=Cc4ccccc43)CC2)cc(=O)[nH]1 ZINC000244678842 432821483 /nfs/dbraw/zinc/82/14/83/432821483.db2.gz ILEDVFDJAZZXCK-UHFFFAOYSA-N 0 3 307.397 3.051 50 0 DGAAHN Cc1nc[nH]c1CN1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000244633343 432822631 /nfs/dbraw/zinc/82/26/31/432822631.db2.gz GBGBVBWOXUANIB-INIZCTEOSA-N 0 3 313.380 3.461 50 0 DGAAHN C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCN1Cc1ccccc1 ZINC000245344140 432825833 /nfs/dbraw/zinc/82/58/33/432825833.db2.gz XTTHEKRQQNIZNO-XXQMMXQMSA-N 0 3 312.457 3.202 50 0 DGAAHN CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1 ZINC000073415460 288841148 /nfs/dbraw/zinc/84/11/48/288841148.db2.gz GHNOJRKNBCXUSN-KRWDZBQOSA-N 0 3 301.434 3.017 50 0 DGAAHN CC(C)c1cc(-c2nc(-c3ccccc3)c3n2CCNC3)n[nH]1 ZINC000299778683 433380306 /nfs/dbraw/zinc/38/03/06/433380306.db2.gz QFIOEKKXUUYOJV-UHFFFAOYSA-N 0 3 307.401 3.167 50 0 DGAAHN CCSc1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000299798855 433384836 /nfs/dbraw/zinc/38/48/36/433384836.db2.gz WDXTZLGBMASMNQ-UHFFFAOYSA-N 0 3 307.463 3.406 50 0 DGAAHN CC(C)N(C(=O)c1ccccc1-c1ccc(CN)cn1)C(C)C ZINC000426604205 433540113 /nfs/dbraw/zinc/54/01/13/433540113.db2.gz BAWFPNVSXPAXIM-UHFFFAOYSA-N 0 3 311.429 3.466 50 0 DGAAHN Cc1ccc(CNCc2ccc(OC3CCN(C)CC3)cc2)o1 ZINC000283808424 433780984 /nfs/dbraw/zinc/78/09/84/433780984.db2.gz BGVUAOGSLBGEBX-UHFFFAOYSA-N 0 3 314.429 3.351 50 0 DGAAHN COc1ccccc1[C@@H](N[C@H]1CCC(=O)N(C)C1)C1CCCC1 ZINC000091344101 295385814 /nfs/dbraw/zinc/38/58/14/295385814.db2.gz AKEWYXYTFMEQLO-KXBFYZLASA-N 0 3 316.445 3.137 50 0 DGAAHN Cc1ncc([C@@H](C)NC[C@@]2(O)CCCc3ccccc32)s1 ZINC000090409033 332088047 /nfs/dbraw/zinc/08/80/47/332088047.db2.gz NMUZASMSHDVDLU-PXAZEXFGSA-N 0 3 302.443 3.326 50 0 DGAAHN Cc1ccccc1[C@H](CNC(=O)CCC(F)(F)F)N(C)C ZINC000534589044 334293522 /nfs/dbraw/zinc/29/35/22/334293522.db2.gz NKJMCWGRCAXICU-ZDUSSCGKSA-N 0 3 302.340 3.056 50 0 DGAAHN Cc1ccc([C@@H](NC2CCN(C)CC2)c2cccnc2)cc1C ZINC000534648746 334316667 /nfs/dbraw/zinc/31/66/67/334316667.db2.gz TZAYDOYUBIOWOY-HXUWFJFHSA-N 0 3 309.457 3.472 50 0 DGAAHN CC(=O)c1c(C)cc(C)c(CN2CC[C@H](N3CCCC3)C2)c1C ZINC000084075108 545782800 /nfs/dbraw/zinc/78/28/00/545782800.db2.gz XMAHHDCHNXGYMJ-SFHVURJKSA-N 0 3 314.473 3.485 50 0 DGAAHN Cn1cccc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000097941072 545865436 /nfs/dbraw/zinc/86/54/36/545865436.db2.gz HUZRYELYHYFGEB-HNNXBMFYSA-N 0 3 308.385 3.065 50 0 DGAAHN Cc1cc(-n2cccn2)ccc1CN1CCN(C2CCCC2)CC1 ZINC000220521149 546264750 /nfs/dbraw/zinc/26/47/50/546264750.db2.gz IDCLSERQPQNRAZ-UHFFFAOYSA-N 0 3 324.472 3.241 50 0 DGAAHN CNCc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000685949947 549810580 /nfs/dbraw/zinc/81/05/80/549810580.db2.gz XPPBPXRCLXWSJB-UHFFFAOYSA-N 0 3 300.587 3.212 50 0 DGAAHN Cc1nc2ccccc2n1CCN[C@@H](C)c1cnc(Cl)n1C ZINC000888099214 618625754 /nfs/dbraw/zinc/62/57/54/618625754.db2.gz XEBCFPUZRGAATR-NSHDSACASA-N 0 3 317.824 3.082 50 0 DGAAHN OC[C@]1(CCc2ccccc2)CCCN(Cc2ccncc2)C1 ZINC000012308715 660527573 /nfs/dbraw/zinc/52/75/73/660527573.db2.gz LDUIGZHXPIHJGT-FQEVSTJZSA-N 0 3 310.441 3.289 50 0 DGAAHN CN(Cc1cccnc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019939985 656068635 /nfs/dbraw/zinc/06/86/35/656068635.db2.gz CWRJZSFJJQYGFY-SFHVURJKSA-N 0 3 313.420 3.317 50 0 DGAAHN Clc1ccc(OC2CCN(CCn3cccn3)CC2)cc1 ZINC000019721069 658679510 /nfs/dbraw/zinc/67/95/10/658679510.db2.gz NOHQWWZTLKRFFN-UHFFFAOYSA-N 0 3 305.809 3.080 50 0 DGAAHN Cc1[nH]nc(CN(C)C[C@H]2CCN(c3ccccc3)C2)c1Cl ZINC000952975930 662209962 /nfs/dbraw/zinc/20/99/62/662209962.db2.gz MFTRLZPYUOWJFJ-CQSZACIVSA-N 0 3 318.852 3.330 50 0 DGAAHN Cc1cccc(N2CCN(C3CSCCSC3)CC2)c1C ZINC000952980908 662209994 /nfs/dbraw/zinc/20/99/94/662209994.db2.gz 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ZINC000039447173 183018360 /nfs/dbraw/zinc/01/83/60/183018360.db2.gz LABKDRADQWIFSG-LJQANCHMSA-N 0 3 318.505 3.218 50 0 DGAAHN O=C(c1ccccc1)C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000040487742 183078460 /nfs/dbraw/zinc/07/84/60/183078460.db2.gz FMMURWOQSJRIOQ-LJQANCHMSA-N 0 3 309.409 3.315 50 0 DGAAHN CC(C)(C)OC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000044138814 183396603 /nfs/dbraw/zinc/39/66/03/183396603.db2.gz IVRZAYIFKATGFM-UHFFFAOYSA-N 0 3 304.434 3.218 50 0 DGAAHN CCN(C(=O)c1ccccn1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106754017 194250325 /nfs/dbraw/zinc/25/03/25/194250325.db2.gz KZBYAZPOTCUKDD-AEFFLSMTSA-N 0 3 323.440 3.379 50 0 DGAAHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157127958 197163587 /nfs/dbraw/zinc/16/35/87/197163587.db2.gz FUGNQFUPHMWKLQ-ZFWWWQNUSA-N 0 3 304.434 3.135 50 0 DGAAHN CN(C)[C@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000057287882 184032148 /nfs/dbraw/zinc/03/21/48/184032148.db2.gz DSTFEGBBWGAUEG-HNNXBMFYSA-N 0 3 316.832 3.243 50 0 DGAAHN CN(C)CCN(C(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000058100508 184074965 /nfs/dbraw/zinc/07/49/65/184074965.db2.gz LVQJINNDTOJSCW-CMDGGOBGSA-N 0 3 300.427 3.356 50 0 DGAAHN O=C(C[C@H]1C=CCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058229162 184091575 /nfs/dbraw/zinc/09/15/75/184091575.db2.gz YLBVRAHUSSSVHW-HKUYNNGSSA-N 0 3 312.457 3.371 50 0 DGAAHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cccs1 ZINC000058289255 184100312 /nfs/dbraw/zinc/10/03/12/184100312.db2.gz FKMXJRHFIMTLHZ-ZDUSSCGKSA-N 0 3 320.483 3.452 50 0 DGAAHN CCN1CCCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058324763 184105286 /nfs/dbraw/zinc/10/52/86/184105286.db2.gz JUYDIVCCSAEKJE-UHFFFAOYSA-N 0 3 315.339 3.265 50 0 DGAAHN c1cc(CN2CCC[C@@H](c3nncn3Cc3ccccc3)C2)co1 ZINC000065287780 184322716 /nfs/dbraw/zinc/32/27/16/184322716.db2.gz RJNJABSRLVJECP-GOSISDBHSA-N 0 3 322.412 3.299 50 0 DGAAHN C[C@H](CC(F)(F)F)NCc1cnn(-c2cccc(F)c2)c1 ZINC000065371438 184329999 /nfs/dbraw/zinc/32/99/99/184329999.db2.gz STGFPXWNRPOZGH-SNVBAGLBSA-N 0 3 301.287 3.442 50 0 DGAAHN O=C(CCc1ccccc1)NCC1=CCN([C@@H]2C=CCCC2)CC1 ZINC000065381108 184332086 /nfs/dbraw/zinc/33/20/86/184332086.db2.gz ZKBWIHPYMZELFI-HXUWFJFHSA-N 0 3 324.468 3.476 50 0 DGAAHN COc1cc(CC[C@H](C)NCc2c(C)noc2C)ccc1O ZINC000065526861 184359648 /nfs/dbraw/zinc/35/96/48/184359648.db2.gz YLPQGABUOUDNFU-NSHDSACASA-N 0 3 304.390 3.117 50 0 DGAAHN CC[C@H]1CN(CCOc2ccc(C)cc2OC)CCN1C(C)C ZINC000065508802 184357448 /nfs/dbraw/zinc/35/74/48/184357448.db2.gz PRCGGWSDDXOAHI-KRWDZBQOSA-N 0 3 320.477 3.187 50 0 DGAAHN CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000065865492 184381657 /nfs/dbraw/zinc/38/16/57/184381657.db2.gz DVTINYHKGBMBLT-OAHLLOKOSA-N 0 3 304.409 3.049 50 0 DGAAHN CCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)o1 ZINC000338962277 253380544 /nfs/dbraw/zinc/38/05/44/253380544.db2.gz LCLXFJGWAKUVAB-AWEZNQCLSA-N 0 3 316.401 3.077 50 0 DGAAHN CCCC[N@H+](C)Cc1cc(Br)c([O-])c(OC)c1 ZINC000003682051 257267335 /nfs/dbraw/zinc/26/73/35/257267335.db2.gz ZNFSAFBFSKRFKO-UHFFFAOYSA-N 0 3 302.212 3.395 50 0 DGAAHN CCCC[N@@H+](C)Cc1cc(Br)c([O-])c(OC)c1 ZINC000003682051 257267337 /nfs/dbraw/zinc/26/73/37/257267337.db2.gz ZNFSAFBFSKRFKO-UHFFFAOYSA-N 0 3 302.212 3.395 50 0 DGAAHN Cc1ccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)s1 ZINC000121936333 195377654 /nfs/dbraw/zinc/37/76/54/195377654.db2.gz JTFPLIVDISMCPA-HNNXBMFYSA-N 0 3 304.463 3.177 50 0 DGAAHN CC(C)c1cc(CN(C)C(=O)CN2CCCCCCC2)on1 ZINC000584893200 400121721 /nfs/dbraw/zinc/12/17/21/400121721.db2.gz YYQHEAHWZHWHMJ-UHFFFAOYSA-N 0 3 307.438 3.023 50 0 DGAAHN C[C@@H](NC1CCN(c2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000584890870 400122076 /nfs/dbraw/zinc/12/20/76/400122076.db2.gz KWDZLBAWSYCPGS-CYBMUJFWSA-N 0 3 318.852 3.393 50 0 DGAAHN Cc1ccc(CN[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000097103490 400283280 /nfs/dbraw/zinc/28/32/80/400283280.db2.gz BYQKRHHPTIUBMB-GJZGRUSLSA-N 0 3 319.449 3.316 50 0 DGAAHN O=C(c1cccc(CN[C@@H]2CCCSC2)c1)N1CCCCC1 ZINC000097370985 400284870 /nfs/dbraw/zinc/28/48/70/400284870.db2.gz ORKHAXQVSSHNSA-QGZVFWFLSA-N 0 3 318.486 3.298 50 0 DGAAHN c1csc(CCN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000072299902 400379619 /nfs/dbraw/zinc/37/96/19/400379619.db2.gz OKJWHHOFXJNWKF-CYBMUJFWSA-N 0 3 303.431 3.431 50 0 DGAAHN CNC(=O)Cc1nc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)cs1 ZINC000072309160 400381366 /nfs/dbraw/zinc/38/13/66/400381366.db2.gz VWBDLMMUWLIOSM-ZIAGYGMSSA-N 0 3 323.506 3.126 50 0 DGAAHN COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C ZINC000106779248 400331461 /nfs/dbraw/zinc/33/14/61/400331461.db2.gz RSAYYYLRMFCXQR-LSDHHAIUSA-N 0 3 322.836 3.047 50 0 DGAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000071882223 400371781 /nfs/dbraw/zinc/37/17/81/400371781.db2.gz LQTXGYFNSLUSRN-ZIAGYGMSSA-N 0 3 313.405 3.222 50 0 DGAAHN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCc1ccncc1 ZINC000072267587 400375698 /nfs/dbraw/zinc/37/56/98/400375698.db2.gz JEPHMHHIRNXBOD-AWEZNQCLSA-N 0 3 304.825 3.157 50 0 DGAAHN Cc1noc(C)c1[C@H](C)N[C@H](C)CC(=O)N1CCCCCC1 ZINC000168221155 400756485 /nfs/dbraw/zinc/75/64/85/400756485.db2.gz 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/nfs/dbraw/zinc/92/52/74/400925274.db2.gz TWBWQYFDAKLOCX-OLZOCXBDSA-N 0 3 322.503 3.009 50 0 DGAAHN C[C@@H](O)CCN[C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553588 400925404 /nfs/dbraw/zinc/92/54/04/400925404.db2.gz LUSGTYRQXSEEKN-NXEZZACHSA-N 0 3 315.339 3.014 50 0 DGAAHN Nc1cc(CN2CC[C@@H](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000225616389 400957919 /nfs/dbraw/zinc/95/79/19/400957919.db2.gz KPXDBTVTHIKKIT-AWEZNQCLSA-N 0 3 303.356 3.007 50 0 DGAAHN CCCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000229608631 400966363 /nfs/dbraw/zinc/96/63/63/400966363.db2.gz PIGLVPZWIWEUKT-HUUCEWRRSA-N 0 3 321.490 3.114 50 0 DGAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000248131500 401066911 /nfs/dbraw/zinc/06/69/11/401066911.db2.gz NGWGUYMFIHZAEM-HUUCEWRRSA-N 0 3 310.800 3.178 50 0 DGAAHN CCc1csc([C@@H]2CCCN(CCO[C@@H]3CCCCO3)C2)n1 ZINC000193047606 165316133 /nfs/dbraw/zinc/31/61/33/165316133.db2.gz GDOSMUZGYLKKGG-GDBMZVCRSA-N 0 3 324.490 3.428 50 0 DGAAHN CC[C@H](C(=O)N1CCCSC[C@H]1CN(C)C)c1ccccc1 ZINC000090699974 287460714 /nfs/dbraw/zinc/46/07/14/287460714.db2.gz HDTOKXPIDQQWLZ-SJORKVTESA-N 0 3 320.502 3.076 50 0 DGAAHN COc1ccc(NC(=O)C[C@H](C)NCc2ccsc2)cc1 ZINC000095420300 262546099 /nfs/dbraw/zinc/54/60/99/262546099.db2.gz GARNRVZCJTVCFX-LBPRGKRZSA-N 0 3 304.415 3.264 50 0 DGAAHN C[C@@H](CNC(=O)Nc1cc(F)cc(F)c1)N1CCCC[C@H]1C ZINC000045985979 274222721 /nfs/dbraw/zinc/22/27/21/274222721.db2.gz NDMNDYQINJDEOO-NEPJUHHUSA-N 0 3 311.376 3.349 50 0 DGAAHN C[C@@H]1C[C@@H](C)CN(CCn2cnc3c(Cl)cccc3c2=O)C1 ZINC000043089108 274384059 /nfs/dbraw/zinc/38/40/59/274384059.db2.gz LDHBXILIVNSRBO-CHWSQXEVSA-N 0 3 319.836 3.028 50 0 DGAAHN CC(C)(C)c1n[nH]cc1CNC[C@H](c1ccco1)N1CCCC1 ZINC000097159160 275539496 /nfs/dbraw/zinc/53/94/96/275539496.db2.gz VUPAKQGXARNPFV-OAHLLOKOSA-N 0 3 316.449 3.227 50 0 DGAAHN CCCN(Cc1cc(-c2ccncc2)no1)C[C@H]1CCCO1 ZINC000244734268 276001008 /nfs/dbraw/zinc/00/10/08/276001008.db2.gz NCGDPJVTQAIUCT-OAHLLOKOSA-N 0 3 301.390 3.128 50 0 DGAAHN CCCN(Cc1ccsc1)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000244795229 276002733 /nfs/dbraw/zinc/00/27/33/276002733.db2.gz RBYMGDUGZLNGMG-HNNXBMFYSA-N 0 3 317.458 3.371 50 0 DGAAHN CN1CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccccc1 ZINC000008394156 277036325 /nfs/dbraw/zinc/03/63/25/277036325.db2.gz FQHYKXOCXNPSAK-UHFFFAOYSA-N 0 3 321.424 3.176 50 0 DGAAHN COc1cc(CNCc2ccccc2-n2cccn2)cc(OC)c1 ZINC000058208848 277818313 /nfs/dbraw/zinc/81/83/13/277818313.db2.gz VKRJNVQKOQYDFA-UHFFFAOYSA-N 0 3 323.396 3.179 50 0 DGAAHN C[C@@H](NCc1ccnc(-c2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069372210 278359198 /nfs/dbraw/zinc/35/91/98/278359198.db2.gz RSDBWRFKXXCWMT-CABCVRRESA-N 0 3 307.401 3.079 50 0 DGAAHN Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000000049941 431115054 /nfs/dbraw/zinc/11/50/54/431115054.db2.gz OTWWFLPZFHQNBN-UHFFFAOYSA-N 0 3 323.440 3.146 50 0 DGAAHN CCOC(=O)c1cnc2c(Cl)cccc2c1NCCN(C)C ZINC000000144052 431133693 /nfs/dbraw/zinc/13/36/93/431133693.db2.gz PBUKUBONNQAXMX-UHFFFAOYSA-N 0 3 321.808 3.038 50 0 DGAAHN COc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000000176494 431139702 /nfs/dbraw/zinc/13/97/02/431139702.db2.gz HFZLHYUIMOEZFZ-UHFFFAOYSA-N 0 3 310.397 3.082 50 0 DGAAHN CCOc1cccc(CN[C@@H](C)[C@@H](C)n2cccn2)c1OC ZINC000069368515 431179733 /nfs/dbraw/zinc/17/97/33/431179733.db2.gz VBFGZUZHPRQBSI-UONOGXRCSA-N 0 3 303.406 3.030 50 0 DGAAHN CCOc1cccc(CN[C@H](C)[C@H](C)n2cccn2)c1OC ZINC000069368526 431180678 /nfs/dbraw/zinc/18/06/78/431180678.db2.gz VBFGZUZHPRQBSI-KGLIPLIRSA-N 0 3 303.406 3.030 50 0 DGAAHN CCN(C(=O)c1ccc[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000069413921 431184939 /nfs/dbraw/zinc/18/49/39/431184939.db2.gz CTGOYQZDOVTMIC-DOTOQJQBSA-N 0 3 311.429 3.312 50 0 DGAAHN C[C@H](Cn1cccn1)NCc1ccc(OCc2cccnc2)cc1 ZINC000069442468 431187429 /nfs/dbraw/zinc/18/74/29/431187429.db2.gz CAGVTGGYMRVBMN-MRXNPFEDSA-N 0 3 322.412 3.035 50 0 DGAAHN Cc1ccc2cc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)[nH]c2c1 ZINC000069490170 431192139 /nfs/dbraw/zinc/19/21/39/431192139.db2.gz HXIZDZJKZAOJEA-MSOLQXFVSA-N 0 3 311.429 3.175 50 0 DGAAHN C[C@H](CN1CCCC1)OC(=O)c1ccc(Br)cc1 ZINC000000210700 431146516 /nfs/dbraw/zinc/14/65/16/431146516.db2.gz FTGYIFWMHPWALZ-LLVKDONJSA-N 0 3 312.207 3.090 50 0 DGAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000000239245 431150357 /nfs/dbraw/zinc/15/03/57/431150357.db2.gz LFLRPHTYKDQUGX-CYBMUJFWSA-N 0 3 315.335 3.481 50 0 DGAAHN CCOc1ccc(NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000000250022 431153410 /nfs/dbraw/zinc/15/34/10/431153410.db2.gz CEONUKADDXRNBN-GASCZTMLSA-N 0 3 319.449 3.470 50 0 DGAAHN Cc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000000256782 431153786 /nfs/dbraw/zinc/15/37/86/431153786.db2.gz AJPQTOHVYNSTHW-UHFFFAOYSA-N 0 3 323.440 3.146 50 0 DGAAHN COc1ccc(C)cc1NC(=O)CCN1CCc2ccccc2C1 ZINC000000254542 431155056 /nfs/dbraw/zinc/15/50/56/431155056.db2.gz OSZYFFRSPWSSJI-UHFFFAOYSA-N 0 3 324.424 3.391 50 0 DGAAHN COc1ccccc1CN1CCC(C(=O)NCCC(C)C)CC1 ZINC000000299523 431161046 /nfs/dbraw/zinc/16/10/46/431161046.db2.gz UFOFWWUXPIDMSI-UHFFFAOYSA-N 0 3 318.461 3.070 50 0 DGAAHN Fc1ccc(CN2CCC[C@H]2Cn2cccn2)c2ncccc12 ZINC000069811421 431225656 /nfs/dbraw/zinc/22/56/56/431225656.db2.gz MXCPZJBTHFGOSF-HNNXBMFYSA-N 0 3 310.376 3.235 50 0 DGAAHN COc1cccc(OC)c1OCCCCNCc1ccco1 ZINC000002277385 431249062 /nfs/dbraw/zinc/24/90/62/431249062.db2.gz NWBGPWSXIXUYHZ-UHFFFAOYSA-N 0 3 305.374 3.246 50 0 DGAAHN CCOC(=O)CCC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000002514541 431254882 /nfs/dbraw/zinc/25/48/82/431254882.db2.gz WHRNLDCWDWJFGX-UHFFFAOYSA-N 0 3 303.402 3.199 50 0 DGAAHN Fc1cc2cccnc2c(CN2CCC[C@@H]2Cn2cccn2)c1 ZINC000071875655 431304974 /nfs/dbraw/zinc/30/49/74/431304974.db2.gz QIVUCWGKSHKMFA-QGZVFWFLSA-N 0 3 310.376 3.235 50 0 DGAAHN COc1ccc(-c2ccc(CNC(C)(C)CO)o2)cc1Cl ZINC000006883163 431322655 /nfs/dbraw/zinc/32/26/55/431322655.db2.gz XGZPJNZQBPBJPR-UHFFFAOYSA-N 0 3 309.793 3.469 50 0 DGAAHN CCCN1CCN(c2nc(C)nc3sc4c(c32)CCC4)CC1 ZINC000008063299 431378842 /nfs/dbraw/zinc/37/88/42/431378842.db2.gz WZRUOWJTEOXJHX-UHFFFAOYSA-N 0 3 316.474 3.020 50 0 DGAAHN CC[C@@H](CO)NCc1cccc(OCc2ccccc2F)c1 ZINC000008326385 431391993 /nfs/dbraw/zinc/39/19/93/431391993.db2.gz LLYQGHJMQQQHFU-INIZCTEOSA-N 0 3 303.377 3.265 50 0 DGAAHN CCCCNCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000008343464 431392262 /nfs/dbraw/zinc/39/22/62/431392262.db2.gz IVTLTXOHIRRRQT-UHFFFAOYSA-N 0 3 313.426 3.313 50 0 DGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1nccs1 ZINC000042739062 279848300 /nfs/dbraw/zinc/84/83/00/279848300.db2.gz TVNCMXBNNPPGSJ-AWEZNQCLSA-N 0 3 316.430 3.102 50 0 DGAAHN CN(C)Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000012696832 431522596 /nfs/dbraw/zinc/52/25/96/431522596.db2.gz UQFAFOFNZODBLH-UHFFFAOYSA-N 0 3 315.442 3.336 50 0 DGAAHN Cc1ccc([C@H](O)CN[C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572712 431484560 /nfs/dbraw/zinc/48/45/60/431484560.db2.gz MVYIVVBGOJMVDA-MAUKXSAKSA-N 0 3 312.413 3.035 50 0 DGAAHN CC(=O)Nc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1 ZINC000075898572 431503804 /nfs/dbraw/zinc/50/38/04/431503804.db2.gz JJQYMFWYRWELFB-LJQANCHMSA-N 0 3 312.413 3.201 50 0 DGAAHN COc1cc(C)ccc1OCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020167692 431622224 /nfs/dbraw/zinc/62/22/24/431622224.db2.gz REFQRQKUKTWIFL-HOTGVXAUSA-N 0 3 307.434 3.272 50 0 DGAAHN c1cc(-c2cccc(-c3ccccc3N3CCNCC3)c2)n[nH]1 ZINC000020255951 431622576 /nfs/dbraw/zinc/62/25/76/431622576.db2.gz GRRHDFOXLWNBJA-UHFFFAOYSA-N 0 3 304.397 3.153 50 0 DGAAHN CCOc1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020167561 431623866 /nfs/dbraw/zinc/62/38/66/431623866.db2.gz KHMIEYFZCOFTEM-HZPDHXFCSA-N 0 3 307.434 3.354 50 0 DGAAHN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(C)CC2)cc1 ZINC000078578651 431685572 /nfs/dbraw/zinc/68/55/72/431685572.db2.gz VCBGIVLLQXDAFE-GOSISDBHSA-N 0 3 318.461 3.240 50 0 DGAAHN Cc1cc(N2CCN(c3nccs3)CC2)c2ccccc2n1 ZINC000089583055 280560865 /nfs/dbraw/zinc/56/08/65/280560865.db2.gz JWVPLSMQXPBYCY-UHFFFAOYSA-N 0 3 310.426 3.326 50 0 DGAAHN COC(=O)c1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000032806018 431792831 /nfs/dbraw/zinc/79/28/31/431792831.db2.gz LPIUXADZGWPPLD-GFCCVEGCSA-N 0 3 317.360 3.472 50 0 DGAAHN CN(C)CCNc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000033012215 431804217 /nfs/dbraw/zinc/80/42/17/431804217.db2.gz SUXIYNJKRXBDEF-UHFFFAOYSA-N 0 3 310.376 3.409 50 0 DGAAHN CCCN(Cc1ccccc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068889 431806279 /nfs/dbraw/zinc/80/62/79/431806279.db2.gz SFUAGQSXZFNAJY-UHFFFAOYSA-N 0 3 313.426 3.168 50 0 DGAAHN O=C(NCCC1=CCCCC1)C1CCN(c2ccncc2)CC1 ZINC000033128979 431808263 /nfs/dbraw/zinc/80/82/63/431808263.db2.gz CHABZXGCTKTFLG-UHFFFAOYSA-N 0 3 313.445 3.305 50 0 DGAAHN Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(C)c1 ZINC000032398926 431776863 /nfs/dbraw/zinc/77/68/63/431776863.db2.gz KDGSHFHJULHUDU-UHFFFAOYSA-N 0 3 322.452 3.482 50 0 DGAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(F)c1 ZINC000032398867 431776910 /nfs/dbraw/zinc/77/69/10/431776910.db2.gz SSMMMRAHBNEOPA-UHFFFAOYSA-N 0 3 312.388 3.004 50 0 DGAAHN Cc1ccoc1CNc1cccc(CN2CCC(CO)CC2)c1 ZINC000086258115 431844391 /nfs/dbraw/zinc/84/43/91/431844391.db2.gz AQVIQJJYTOTRHU-UHFFFAOYSA-N 0 3 314.429 3.404 50 0 DGAAHN Brc1csc(CNCCOc2ccccn2)c1 ZINC000035287305 431827751 /nfs/dbraw/zinc/82/77/51/431827751.db2.gz VKBSFDMYRGDJGB-UHFFFAOYSA-N 0 3 313.220 3.074 50 0 DGAAHN CCCN(Cc1ccco1)C[C@@H](O)COCc1ccccc1 ZINC000036096496 431834904 /nfs/dbraw/zinc/83/49/04/431834904.db2.gz KUFDGDMEPORTMO-QGZVFWFLSA-N 0 3 303.402 3.069 50 0 DGAAHN CN(C)CCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000036613532 431839518 /nfs/dbraw/zinc/83/95/18/431839518.db2.gz ZHHXVQHMFUDJSB-UHFFFAOYSA-N 0 3 316.352 3.197 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)c1cccc(C)n1)c1ccsc1 ZINC000036397331 431839793 /nfs/dbraw/zinc/83/97/93/431839793.db2.gz RBGXTFXRZNOGSD-INIZCTEOSA-N 0 3 317.458 3.264 50 0 DGAAHN CC(C)CCN1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000047867672 431916082 /nfs/dbraw/zinc/91/60/82/431916082.db2.gz PDJVOBDWPJTWJS-CQSZACIVSA-N 0 3 308.470 3.092 50 0 DGAAHN COc1cccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000048252807 431921722 /nfs/dbraw/zinc/92/17/22/431921722.db2.gz KPBNPRKQURCWMW-QGZVFWFLSA-N 0 3 313.401 3.120 50 0 DGAAHN O=C(Nc1cccnc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000048313090 431923132 /nfs/dbraw/zinc/92/31/32/431923132.db2.gz FEKDGKJTINBVAO-HNNXBMFYSA-N 0 3 313.376 3.071 50 0 DGAAHN CCCc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)o1 ZINC000095386462 431923845 /nfs/dbraw/zinc/92/38/45/431923845.db2.gz RUIWFDXPIXSPGT-JKSUJKDBSA-N 0 3 316.445 3.065 50 0 DGAAHN O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000089827698 431881275 /nfs/dbraw/zinc/88/12/75/431881275.db2.gz GMGFLZUEHDPSIJ-SFHVURJKSA-N 0 3 312.457 3.241 50 0 DGAAHN C[C@H]1C[C@@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 ZINC000089920328 431885559 /nfs/dbraw/zinc/88/55/59/431885559.db2.gz JRDBICHPJLHHPH-GXTWGEPZSA-N 0 3 314.351 3.108 50 0 DGAAHN Cc1nc2c(s1)[C@H](NC[C@](C)(O)c1ccc(F)cc1)CCC2 ZINC000090891119 431897714 /nfs/dbraw/zinc/89/77/14/431897714.db2.gz GTZXKYHIVIGPQP-PBHICJAKSA-N 0 3 320.433 3.465 50 0 DGAAHN CN(CCSc1ccccc1)C(=O)[C@@H]1CCCCCN1C ZINC000097600926 431971814 /nfs/dbraw/zinc/97/18/14/431971814.db2.gz OVDQJHWRRUHGMY-INIZCTEOSA-N 0 3 306.475 3.112 50 0 DGAAHN Fc1ccc(COc2cccc(-c3nc4c([nH]3)CNCC4)c2)cc1 ZINC000097732732 431974453 /nfs/dbraw/zinc/97/44/53/431974453.db2.gz AUMBUYIHPHXMME-UHFFFAOYSA-N 0 3 323.371 3.441 50 0 DGAAHN CCOc1ccc(CN(C(=O)[C@@H](C)N2CCCC2)C2CC2)cc1 ZINC000055072809 431976420 /nfs/dbraw/zinc/97/64/20/431976420.db2.gz HCDAKZZGQJOZFP-OAHLLOKOSA-N 0 3 316.445 3.061 50 0 DGAAHN C[C@@H](NC[C@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095943533 431927506 /nfs/dbraw/zinc/92/75/06/431927506.db2.gz CQDGOPJCQIYBHB-SCZZXKLOSA-N 0 3 319.232 3.378 50 0 DGAAHN COc1ccccc1[C@@H](CNc1nc2ccccc2[nH]1)N(C)C ZINC000095947813 431927955 /nfs/dbraw/zinc/92/79/55/431927955.db2.gz XZEWWBDBZMRTNU-MRXNPFEDSA-N 0 3 310.401 3.286 50 0 DGAAHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000095975169 431931148 /nfs/dbraw/zinc/93/11/48/431931148.db2.gz POQKKXHVMWEZGH-PWSUYJOCSA-N 0 3 321.314 3.128 50 0 DGAAHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000095975166 431931181 /nfs/dbraw/zinc/93/11/81/431931181.db2.gz 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GCEDPWWAJIKWGK-KHPPLWFESA-N 0 3 307.397 3.329 50 0 DGAAHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1ncc2ccccc21 ZINC000096451800 431950716 /nfs/dbraw/zinc/95/07/16/431950716.db2.gz CWLDWXKEXURPIK-UHFFFAOYSA-N 0 3 322.412 3.045 50 0 DGAAHN CSC[C@@H](CCO)N[C@H](C)c1ccc(Br)s1 ZINC000096478195 431952749 /nfs/dbraw/zinc/95/27/49/431952749.db2.gz LAKLVMFWLRGXAG-RKDXNWHRSA-N 0 3 324.309 3.275 50 0 DGAAHN COc1cc([C@@H](C)N[C@H]2CCc3nc(C)cn3C2)ccc1F ZINC000096489379 431953577 /nfs/dbraw/zinc/95/35/77/431953577.db2.gz AKAAWMPZMUVNBJ-OCCSQVGLSA-N 0 3 303.381 3.005 50 0 DGAAHN O=S1(=O)CCC[C@@H]1CN[C@H](CC1CCC1)c1ccccc1 ZINC000097034750 431957302 /nfs/dbraw/zinc/95/73/02/431957302.db2.gz NRIZTVJGMVHWKG-IAGOWNOFSA-N 0 3 307.459 3.085 50 0 DGAAHN Cc1cc(C)nc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000097038364 431957380 /nfs/dbraw/zinc/95/73/80/431957380.db2.gz FHIBONSZYJXEMP-ZDUSSCGKSA-N 0 3 319.430 3.243 50 0 DGAAHN CC(=O)NC[C@H]1CCCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000097085930 431960172 /nfs/dbraw/zinc/96/01/72/431960172.db2.gz NRZGFHVZCHUXNZ-MRXNPFEDSA-N 0 3 311.429 3.204 50 0 DGAAHN O=c1cc(CN2CCC[C@@H]2C2CCCCC2)nc2sccn21 ZINC000053211312 431961511 /nfs/dbraw/zinc/96/15/11/431961511.db2.gz UWNGVNFPRYCMLF-OAHLLOKOSA-N 0 3 317.458 3.301 50 0 DGAAHN COc1ccc(CCNCc2c[nH]nc2C(C)(C)C)cc1OC ZINC000097159604 431963010 /nfs/dbraw/zinc/96/30/10/431963010.db2.gz ABBITSRZFPVXQD-UHFFFAOYSA-N 0 3 317.433 3.057 50 0 DGAAHN CC(C)c1nnc2n1C[C@@H](NCc1ccc(Cl)s1)CC2 ZINC000097199489 431963984 /nfs/dbraw/zinc/96/39/84/431963984.db2.gz NGPUWDTXOVMPLM-JTQLQIEISA-N 0 3 310.854 3.221 50 0 DGAAHN CN(C)[C@H](CNc1ncnc2ccsc21)c1cccs1 ZINC000053496574 431964294 /nfs/dbraw/zinc/96/42/94/431964294.db2.gz JAYNTLRMHJHWMA-LLVKDONJSA-N 0 3 304.444 3.468 50 0 DGAAHN CC(C)c1nnc2n1C[C@@H](NCc1ccc(Cl)c(F)c1)CC2 ZINC000097199437 431964549 /nfs/dbraw/zinc/96/45/49/431964549.db2.gz ABUBNRMRRLSIPF-LBPRGKRZSA-N 0 3 322.815 3.299 50 0 DGAAHN Cn1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1=O ZINC000053644013 431964699 /nfs/dbraw/zinc/96/46/99/431964699.db2.gz LSCCKZSHZSFKHY-KRWDZBQOSA-N 0 3 302.393 3.401 50 0 DGAAHN Cc1cc(C)n(-c2cccc(CN3CC(N4CCCCC4)C3)c2)n1 ZINC000097288716 431966611 /nfs/dbraw/zinc/96/66/11/431966611.db2.gz ZAJPNOLFACXPAD-UHFFFAOYSA-N 0 3 324.472 3.159 50 0 DGAAHN COc1ccc(/C=C/CN2CC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000097360127 431968120 /nfs/dbraw/zinc/96/81/20/431968120.db2.gz FWWRLLIIUDXTIN-SHCNBLLESA-N 0 3 311.429 3.469 50 0 DGAAHN COc1ccc(OCC2CCN(Cc3[nH]cnc3C)CC2)cc1 ZINC000097437004 431969472 /nfs/dbraw/zinc/96/94/72/431969472.db2.gz QAKUIBJGEVDKHX-UHFFFAOYSA-N 0 3 315.417 3.018 50 0 DGAAHN C(c1nc(C2CCCC2)no1)N1CCC[C@H]1CN1CCCCC1 ZINC000152313738 432323546 /nfs/dbraw/zinc/32/35/46/432323546.db2.gz SUFHPCGIFRQBHU-INIZCTEOSA-N 0 3 318.465 3.178 50 0 DGAAHN CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000252453006 432376659 /nfs/dbraw/zinc/37/66/59/432376659.db2.gz VMZHTWSAQSNGLX-OALUTQOASA-N 0 3 314.473 3.485 50 0 DGAAHN CNCc1cc(CC[C@@H]2COc3ccccc3O2)ccc1OC ZINC000252478858 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ZINC000195548510 432626835 /nfs/dbraw/zinc/62/68/35/432626835.db2.gz RFDPTZQQZIRLQG-NVXWUHKLSA-N 0 3 301.386 3.376 50 0 DGAAHN C[C@@H]1CNC(=O)CCN1Cc1ccc(Oc2ccccc2)cc1 ZINC000215236323 432643770 /nfs/dbraw/zinc/64/37/70/432643770.db2.gz RIJKMYRDNGUUMX-OAHLLOKOSA-N 0 3 310.397 3.189 50 0 DGAAHN OC[C@H]1CCCCCN1Cc1cnc(C2CCCCC2)nc1 ZINC000215217666 432643824 /nfs/dbraw/zinc/64/38/24/432643824.db2.gz ZJDHRDOHILAPJX-QGZVFWFLSA-N 0 3 303.450 3.261 50 0 DGAAHN Cc1ccc(F)cc1CN1CCN(C2Cc3ccccc3C2)CC1 ZINC000215658295 432645288 /nfs/dbraw/zinc/64/52/88/432645288.db2.gz KQAYTTYJKFBJEH-UHFFFAOYSA-N 0 3 324.443 3.419 50 0 DGAAHN Cc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000225827633 432699898 /nfs/dbraw/zinc/69/98/98/432699898.db2.gz JLOXREWWNJGYOF-IBGZPJMESA-N 0 3 312.413 3.060 50 0 DGAAHN C[C@H](NCC[C@H](C)[S@@](C)=O)c1cc(Br)cs1 ZINC000226397893 432706409 /nfs/dbraw/zinc/70/64/09/432706409.db2.gz CMOSJYRMWPLOMG-OMQMVUIESA-N 0 3 324.309 3.318 50 0 DGAAHN C[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1n1ccnc1 ZINC000242389605 432818182 /nfs/dbraw/zinc/81/81/82/432818182.db2.gz ZYTJSWGYRHMFTF-VQIMIIECSA-N 0 3 321.428 3.152 50 0 DGAAHN CCCN(Cc1cc(-c2ccncc2)no1)C[C@@H]1CCCO1 ZINC000244734267 432822216 /nfs/dbraw/zinc/82/22/16/432822216.db2.gz NCGDPJVTQAIUCT-HNNXBMFYSA-N 0 3 301.390 3.128 50 0 DGAAHN COc1cccc([C@@H](C)N(C)CCC(=O)Nc2cccnc2)c1 ZINC000244882814 432823646 /nfs/dbraw/zinc/82/36/46/432823646.db2.gz XZLKLDVIMILUDX-CQSZACIVSA-N 0 3 313.401 3.112 50 0 DGAAHN O=C(CCN1CCC[C@@H]1c1ccc(F)cc1)Nc1nccs1 ZINC000244873234 432823845 /nfs/dbraw/zinc/82/38/45/432823845.db2.gz WMICAMAGLVEOAJ-CQSZACIVSA-N 0 3 319.405 3.448 50 0 DGAAHN O=C(CCN1CCC[C@H]1c1ccc(F)cc1)Nc1nccs1 ZINC000244873233 432824368 /nfs/dbraw/zinc/82/43/68/432824368.db2.gz WMICAMAGLVEOAJ-AWEZNQCLSA-N 0 3 319.405 3.448 50 0 DGAAHN O=C(c1cc(F)cc(Cl)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000268073760 432843142 /nfs/dbraw/zinc/84/31/42/432843142.db2.gz BDZZUABWEGCJIY-HNNXBMFYSA-N 0 3 310.800 3.180 50 0 DGAAHN COc1ccc(F)c(CN[C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000339370808 433539843 /nfs/dbraw/zinc/53/98/43/433539843.db2.gz FBVQYAYOASDQIP-OAHLLOKOSA-N 0 3 317.408 3.259 50 0 DGAAHN CCOCCN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285869865 434091072 /nfs/dbraw/zinc/09/10/72/434091072.db2.gz YWDBCLCSNDCRGM-SFHVURJKSA-N 0 3 300.402 3.000 50 0 DGAAHN COc1cc([C@@H](C)NC[C@H](CCO)c2ccccc2)c(F)cn1 ZINC000287631377 434414599 /nfs/dbraw/zinc/41/45/99/434414599.db2.gz KJZYSEVHGCHHCP-HIFRSBDPSA-N 0 3 318.392 3.046 50 0 DGAAHN CC(=O)NC[C@H]1CCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000408524703 434585968 /nfs/dbraw/zinc/58/59/68/434585968.db2.gz XYLWCJHNOABLRR-QGZVFWFLSA-N 0 3 324.424 3.437 50 0 DGAAHN CSc1cccc(F)c1CNC[C@H](O)Cc1ccccc1 ZINC000578007439 316293546 /nfs/dbraw/zinc/29/35/46/316293546.db2.gz QDRGQAPNENJXRY-CQSZACIVSA-N 0 3 305.418 3.241 50 0 DGAAHN c1cc(Oc2ccccc2)oc1CN[C@@H]1CCc2n[nH]cc2C1 ZINC000097236034 323210501 /nfs/dbraw/zinc/21/05/01/323210501.db2.gz OTOQLBDIMYIYRS-CQSZACIVSA-N 0 3 309.369 3.442 50 0 DGAAHN C[C@H](CN1CCCCC1)NCc1cc(-c2ccc(F)cc2)no1 ZINC000534642856 334306016 /nfs/dbraw/zinc/30/60/16/334306016.db2.gz CBVZOTSYQBTMAW-CQSZACIVSA-N 0 3 317.408 3.445 50 0 DGAAHN C[C@H](NC(=O)N1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC000534646520 334306253 /nfs/dbraw/zinc/30/62/53/334306253.db2.gz XIMVORKKRDMKDZ-INIZCTEOSA-N 0 3 315.461 3.265 50 0 DGAAHN C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccccc1N(C)C ZINC000090779784 545831687 /nfs/dbraw/zinc/83/16/87/545831687.db2.gz QKTAFNYVPHBCRC-MGPUTAFESA-N 0 3 310.441 3.237 50 0 DGAAHN CC(C)(CN1CCC[C@H]1CC1CCCCC1)S(C)(=O)=O ZINC000092644146 545849434 /nfs/dbraw/zinc/84/94/34/545849434.db2.gz KYXCMRPJZLXALI-HNNXBMFYSA-N 0 3 301.496 3.244 50 0 DGAAHN c1n[nH]cc1[C@@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000092810200 545851911 /nfs/dbraw/zinc/85/19/11/545851911.db2.gz FQFGZRMFEXSPLO-OAHLLOKOSA-N 0 3 307.401 3.179 50 0 DGAAHN CN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1OC(F)(F)F)C2 ZINC000215075650 546261108 /nfs/dbraw/zinc/26/11/08/546261108.db2.gz FDIMXWAAYUIAMR-JSGCOSHPSA-N 0 3 314.351 3.111 50 0 DGAAHN CN(CCn1ccnc1)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000670473768 547759252 /nfs/dbraw/zinc/75/92/52/547759252.db2.gz MJUNKPNDWVTVAS-HNNXBMFYSA-N 0 3 305.447 3.318 50 0 DGAAHN CC(C)(C(=O)N[C@@H](c1ccccc1)c1ccncc1)N1CCCC1 ZINC000299756461 563804201 /nfs/dbraw/zinc/80/42/01/563804201.db2.gz ISYUNZKKENCHBJ-SFHVURJKSA-N 0 3 323.440 3.162 50 0 DGAAHN Cc1ccc(-c2noc(C34CCCN(CCC3)C4)n2)cc1F ZINC000874435610 620716008 /nfs/dbraw/zinc/71/60/08/620716008.db2.gz ZESHPPUOCDUKLQ-UHFFFAOYSA-N 0 3 301.365 3.312 50 0 DGAAHN CCC[C@]1(CO)CCN(CCOc2ccc(F)cc2Cl)C1 ZINC000808797150 626862425 /nfs/dbraw/zinc/86/24/25/626862425.db2.gz XQUDJKFLQUUUDA-INIZCTEOSA-N 0 3 315.816 3.342 50 0 DGAAHN CCc1cc2c(c([C@H](O)CN3CCCCC3)c1CC)OCCO2 ZINC000022078742 655599301 /nfs/dbraw/zinc/59/93/01/655599301.db2.gz OKTRVEJUVHRWPY-MRXNPFEDSA-N 0 3 319.445 3.102 50 0 DGAAHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)NC1CCCC1 ZINC000171127598 659261080 /nfs/dbraw/zinc/26/10/80/659261080.db2.gz MUIFIHLAYNUASI-QGZVFWFLSA-N 0 3 306.837 3.440 50 0 DGAAHN CN1CCCCC[C@@H]1C(=O)NCc1csc2c1CCCC2 ZINC000952964823 662209077 /nfs/dbraw/zinc/20/90/77/662209077.db2.gz DOTULLDYVBRSHW-OAHLLOKOSA-N 0 3 306.475 3.118 50 0 DGAAHN Cc1ncc(Cl)c(NC[C@@H]2CCCN(Cc3ccco3)C2)n1 ZINC001772710965 1176676873 /nfs/dbraw/zinc/67/68/73/1176676873.db2.gz UJEGTGZHBSQSGS-ZDUSSCGKSA-N 0 3 320.824 3.356 50 0 DGAAHN CN(C)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1 ZINC000033985849 1177343525 /nfs/dbraw/zinc/34/35/25/1177343525.db2.gz HHLRKHUOLBJFQS-UHFFFAOYSA-N 0 3 317.816 3.274 50 0 DGAAHN CCCNc1ncc(CN2CCC[C@@]3(CCC[C@H]3OC)C2)cn1 ZINC001704300395 1202519479 /nfs/dbraw/zinc/51/94/79/1202519479.db2.gz STSSMMGXRPXDFM-AEFFLSMTSA-N 0 3 318.465 3.080 50 0 DGAAHN CC[C@@H](C(=O)N(C)Cc1ccc(C(F)(F)F)cc1)N(C)CC ZINC000822541620 1091662938 /nfs/dbraw/zinc/66/29/38/1091662938.db2.gz NGDCCECZSLVBEI-AWEZNQCLSA-N 0 3 316.367 3.394 50 0 DGAAHN CCn1nc(C)cc1C(=O)Nc1ccccc1CN1CCCC1 ZINC000823599015 1091694971 /nfs/dbraw/zinc/69/49/71/1091694971.db2.gz 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/nfs/dbraw/zinc/15/68/06/182156806.db2.gz ZUYPTSPXKIXCHL-SFHVURJKSA-N 0 3 301.361 3.468 50 0 biogenic DGAAHN O[C@H](CNCc1ccc(Br)cc1)c1ccccc1 ZINC000019872088 182158888 /nfs/dbraw/zinc/15/88/88/182158888.db2.gz GEBVOHRPXOMGGY-OAHLLOKOSA-N 0 3 306.203 3.272 50 0 DGAAHN CCN1CCN(CCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000020390277 182213902 /nfs/dbraw/zinc/21/39/02/182213902.db2.gz ZAPFRUUMVFUUAX-UHFFFAOYSA-N 0 3 317.260 3.400 50 0 DGAAHN c1ccc(COc2ccccc2CN[C@@H]2CN3CCC2CC3)cc1 ZINC000020476899 182221418 /nfs/dbraw/zinc/22/14/18/182221418.db2.gz SJNCTBQRRYKWRO-HXUWFJFHSA-N 0 3 322.452 3.449 50 0 DGAAHN Cc1nc(-c2ccccc2)[nH]c1CN1CCN(C(C)C)[C@@H](C)C1 ZINC000020562437 182232174 /nfs/dbraw/zinc/23/21/74/182232174.db2.gz UBNRJVPAMHTBLC-HNNXBMFYSA-N 0 3 312.461 3.300 50 0 DGAAHN COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)cc(Cl)c1[O-] ZINC000020515096 182226871 /nfs/dbraw/zinc/22/68/71/182226871.db2.gz DOGPIVZKOIVNIL-ZDUSSCGKSA-N 0 3 319.788 3.148 50 0 DGAAHN OCC[C@@H]1CN(Cc2cccc(F)c2)CCN1C1CCCCC1 ZINC000020537424 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/nfs/dbraw/zinc/03/09/12/183030912.db2.gz QXGXRZXHLKOLNQ-UHFFFAOYSA-N 0 3 317.477 3.481 50 0 DGAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc(F)cc2)o1 ZINC000040152247 183040276 /nfs/dbraw/zinc/04/02/76/183040276.db2.gz JFTXUZJQOZGGKZ-UHFFFAOYSA-N 0 3 319.380 3.323 50 0 DGAAHN CC(=O)Nc1cccc(NC(=O)CN(C)C2CCCCCC2)c1 ZINC000040477562 183076043 /nfs/dbraw/zinc/07/60/43/183076043.db2.gz XJPCCMOVXQNRRS-UHFFFAOYSA-N 0 3 317.433 3.238 50 0 DGAAHN CCc1cccc(C)c1NC(=O)NC1CCN(C2CC2)CC1 ZINC000040525492 183092270 /nfs/dbraw/zinc/09/22/70/183092270.db2.gz XTFFNHGHARTQOS-UHFFFAOYSA-N 0 3 301.434 3.306 50 0 DGAAHN C[C@H](CNC(=O)c1ccc(F)cc1Cl)N1CCC[C@@H](C)C1 ZINC000106078720 194184637 /nfs/dbraw/zinc/18/46/37/194184637.db2.gz VBTKLWXJTQZEFS-VXGBXAGGSA-N 0 3 312.816 3.329 50 0 DGAAHN C[C@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)CCCC2 ZINC000049590361 183744704 /nfs/dbraw/zinc/74/47/04/183744704.db2.gz PNLBFGDBGWVKLS-AWEZNQCLSA-N 0 3 312.413 3.125 50 0 DGAAHN O=C(CCC1CCCC1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000049949255 183764937 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184281946 /nfs/dbraw/zinc/28/19/46/184281946.db2.gz YGENYCGJRDBUKN-CQSZACIVSA-N 0 3 317.458 3.300 50 0 DGAAHN CCN(Cc1ccc(C)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590811 184301127 /nfs/dbraw/zinc/30/11/27/184301127.db2.gz AZSZNPKEUWIRHC-UHFFFAOYSA-N 0 3 321.424 3.333 50 0 DGAAHN Cc1ccsc1CNCC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000065467467 184350993 /nfs/dbraw/zinc/35/09/93/184350993.db2.gz CBGMKGKLEHABNW-AWEZNQCLSA-N 0 3 302.443 3.332 50 0 DGAAHN CN1CCC[C@H]1CNC(=O)CCSc1ccc(Cl)cc1 ZINC000065590711 184369901 /nfs/dbraw/zinc/36/99/01/184369901.db2.gz AJCISCKDXJPSOP-ZDUSSCGKSA-N 0 3 312.866 3.033 50 0 DGAAHN CN1CCC(Cc2nc(Cc3ccc4c(c3)CCC4)no2)CC1 ZINC000289889163 221293452 /nfs/dbraw/zinc/29/34/52/221293452.db2.gz WAHDPXALVQHEEW-UHFFFAOYSA-N 0 3 311.429 3.033 50 0 DGAAHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000239653806 257259863 /nfs/dbraw/zinc/25/98/63/257259863.db2.gz BLKQWNLNPLSKKL-FZKQIMNGSA-N 0 3 309.413 3.444 50 0 DGAAHN O=C(NCC1CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000604418485 400774931 /nfs/dbraw/zinc/77/49/31/400774931.db2.gz ZWHZQOUYJITFOC-UHFFFAOYSA-N 0 3 320.436 3.234 50 0 DGAAHN C[C@@H](O)[C@@H]1CCCN(Cc2cn(C)nc2C2CCCCC2)C1 ZINC000136833504 432163431 /nfs/dbraw/zinc/16/34/31/432163431.db2.gz ZAGNCWIRSNRLBU-GDBMZVCRSA-N 0 3 305.466 3.061 50 0 DGAAHN C[C@@H]1C[C@@H](N(C)c2ncnc3sc4c(c32)CCC4)CCN1C ZINC000170642911 274386781 /nfs/dbraw/zinc/38/67/81/274386781.db2.gz YKQYNVAGEHCZBW-NEPJUHHUSA-N 0 3 316.474 3.099 50 0 DGAAHN Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000229415808 279246594 /nfs/dbraw/zinc/24/65/94/279246594.db2.gz SGECJZIECLHGFB-MGPQQGTHSA-N 0 3 321.465 3.203 50 0 DGAAHN Cc1ccc(N2C(=O)C[C@H](NC[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000000183104 431141160 /nfs/dbraw/zinc/14/11/60/431141160.db2.gz YWJWWPVGOBPONZ-QAPCUYQASA-N 0 3 322.408 3.020 50 0 DGAAHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000000317553 431164514 /nfs/dbraw/zinc/16/45/14/431164514.db2.gz BLOWQNVJGWCPNR-OAHLLOKOSA-N 0 3 318.436 3.296 50 0 DGAAHN Cc1cccc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)c1 ZINC000069171392 431169285 /nfs/dbraw/zinc/16/92/85/431169285.db2.gz PMPMHILJYWZRSB-NRFANRHFSA-N 0 3 323.484 3.073 50 0 DGAAHN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1CN1CCCCC1 ZINC000069221215 431170499 /nfs/dbraw/zinc/17/04/99/431170499.db2.gz QUXXHGKLWCKLIT-CQSZACIVSA-N 0 3 323.387 3.447 50 0 DGAAHN CN1CCC(OC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000000383089 431172719 /nfs/dbraw/zinc/17/27/19/431172719.db2.gz ATECQNVCCVLUKJ-UHFFFAOYSA-N 0 3 305.418 3.000 50 0 DGAAHN Cc1cccc(-c2n[nH]cc2CN[C@H](C)[C@H](C)n2cccn2)c1 ZINC000069368412 431179080 /nfs/dbraw/zinc/17/90/80/431179080.db2.gz FZNBUMQHKSPRAQ-CABCVRRESA-N 0 3 309.417 3.321 50 0 DGAAHN C[C@@H](Cn1cccn1)NCc1ccc(OCc2cccnc2)cc1 ZINC000069442463 431187417 /nfs/dbraw/zinc/18/74/17/431187417.db2.gz CAGVTGGYMRVBMN-INIZCTEOSA-N 0 3 322.412 3.035 50 0 DGAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2c[nH]nc2-c2cccs2)c1 ZINC000069463569 431189267 /nfs/dbraw/zinc/18/92/67/431189267.db2.gz PKSOPHXPQJZRPH-OLZOCXBDSA-N 0 3 315.446 3.382 50 0 DGAAHN c1nc2n(n1)C[C@H](NCc1cccc(-c3ccccc3)c1)CC2 ZINC000069493260 431192259 /nfs/dbraw/zinc/19/22/59/431192259.db2.gz PEUVUDCMUTZQIR-GOSISDBHSA-N 0 3 304.397 3.050 50 0 DGAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000000241126 431151242 /nfs/dbraw/zinc/15/12/42/431151242.db2.gz KBZRUJSGDUTFMQ-INIZCTEOSA-N 0 3 305.418 3.087 50 0 DGAAHN C[C@@H](CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1 ZINC000000249792 431155104 /nfs/dbraw/zinc/15/51/04/431155104.db2.gz PBMKRUYNWHALTG-ZDUSSCGKSA-N 0 3 311.809 3.136 50 0 DGAAHN Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2c1 ZINC000069619088 431206051 /nfs/dbraw/zinc/20/60/51/431206051.db2.gz QXGYKCFPGHBXPX-ZWKOTPCHSA-N 0 3 311.429 3.175 50 0 DGAAHN Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)cc2c1 ZINC000069619097 431207074 /nfs/dbraw/zinc/20/70/74/431207074.db2.gz QXGYKCFPGHBXPX-MSOLQXFVSA-N 0 3 311.429 3.175 50 0 DGAAHN C[C@@H]1CCC[C@H](N2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000000783017 431208026 /nfs/dbraw/zinc/20/80/26/431208026.db2.gz OSVKRSHERBDJFS-CABCVRRESA-N 0 3 304.409 3.162 50 0 DGAAHN Cc1cccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000000819277 431210842 /nfs/dbraw/zinc/21/08/42/431210842.db2.gz DWTKDRKQCHLHIA-UHFFFAOYSA-N 0 3 314.473 3.466 50 0 DGAAHN CN1CCC(N(Cc2ccccc2F)C(=O)c2ccoc2)CC1 ZINC000069704792 431211467 /nfs/dbraw/zinc/21/14/67/431211467.db2.gz GHEYFZPNIPQCDP-UHFFFAOYSA-N 0 3 316.376 3.155 50 0 DGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000069699787 431212575 /nfs/dbraw/zinc/21/25/75/431212575.db2.gz NGWGUYMFIHZAEM-GJZGRUSLSA-N 0 3 310.800 3.178 50 0 DGAAHN Cc1nc2ccccc2nc1CN1CCCC[C@@H]1Cn1cccn1 ZINC000069920235 431230983 /nfs/dbraw/zinc/23/09/83/431230983.db2.gz GWWNMIGKNQWMCL-MRXNPFEDSA-N 0 3 321.428 3.189 50 0 DGAAHN FC(F)(F)c1cc(N2CCNCC2)c2cccc(Cl)c2n1 ZINC000002243385 431247331 /nfs/dbraw/zinc/24/73/31/431247331.db2.gz GYLMHFWBDILTEA-UHFFFAOYSA-N 0 3 315.726 3.317 50 0 DGAAHN CC1CCN(CCNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000002499691 431254021 /nfs/dbraw/zinc/25/40/21/431254021.db2.gz NQDNILSHSVKYQJ-UHFFFAOYSA-N 0 3 302.447 3.062 50 0 DGAAHN Cc1c(Cl)cccc1NC(=O)CCNCc1ccncc1 ZINC000071792594 431286617 /nfs/dbraw/zinc/28/66/17/431286617.db2.gz GGUZHDUMELYXDG-UHFFFAOYSA-N 0 3 303.793 3.162 50 0 DGAAHN CN(CCOCCOc1ccc(F)cc1)Cc1ccccc1 ZINC000002823912 431272610 /nfs/dbraw/zinc/27/26/10/431272610.db2.gz ZAMWTLSJCCCRBL-UHFFFAOYSA-N 0 3 303.377 3.353 50 0 DGAAHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccncc1 ZINC000071921037 431317508 /nfs/dbraw/zinc/31/75/08/431317508.db2.gz AIRPCBGRWJMIRK-MRXNPFEDSA-N 0 3 324.428 3.210 50 0 DGAAHN CS[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000071915330 431317540 /nfs/dbraw/zinc/31/75/40/431317540.db2.gz QZBUGIORULXYAW-BFYDXBDKSA-N 0 3 320.502 3.249 50 0 DGAAHN CN1CCCN(c2ncnc3sc4c(c32)CCCCC4)CC1 ZINC000008849905 431414132 /nfs/dbraw/zinc/41/41/32/431414132.db2.gz ICOJWOLUYITXLF-UHFFFAOYSA-N 0 3 316.474 3.102 50 0 DGAAHN Cc1n[nH]cc1CNC[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000075126873 431454526 /nfs/dbraw/zinc/45/45/26/431454526.db2.gz CWYDTVNTUCWGQJ-CQSZACIVSA-N 0 3 318.852 3.296 50 0 DGAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCc2ccccc21 ZINC000010449405 431463719 /nfs/dbraw/zinc/46/37/19/431463719.db2.gz YNTOWLSXMPNKFR-UHFFFAOYSA-N 0 3 306.409 3.485 50 0 DGAAHN Cc1ncsc1C(=O)N[C@H]1CCCN(C2CCCCCC2)C1 ZINC000012752004 431525711 /nfs/dbraw/zinc/52/57/11/431525711.db2.gz YOHIWPRTYODNAL-AWEZNQCLSA-N 0 3 321.490 3.369 50 0 DGAAHN O=C1C[C@@H](NCc2ccsc2)CN1CCCc1ccccc1 ZINC000012715145 431526350 /nfs/dbraw/zinc/52/63/50/431526350.db2.gz ORHMNFBXKJUKHZ-QGZVFWFLSA-N 0 3 314.454 3.071 50 0 DGAAHN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C2CCOCC2)C1 ZINC000012387407 431505382 /nfs/dbraw/zinc/50/53/82/431505382.db2.gz WEVGWFWLSRSMSO-AWEZNQCLSA-N 0 3 307.821 3.414 50 0 DGAAHN COc1ccccc1NC(=O)[C@H](C)N[C@H]1CCc2ccccc21 ZINC000013001902 431543584 /nfs/dbraw/zinc/54/35/84/431543584.db2.gz QMWFOLDFTHDURZ-BBRMVZONSA-N 0 3 310.397 3.299 50 0 DGAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000013744972 431568592 /nfs/dbraw/zinc/56/85/92/431568592.db2.gz WEDPMLGAWIVAQW-CYBMUJFWSA-N 0 3 324.852 3.016 50 0 DGAAHN O=C(NCCN1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000013755532 431570202 /nfs/dbraw/zinc/57/02/02/431570202.db2.gz MWYOFPSSMVPDDI-UHFFFAOYSA-N 0 3 322.452 3.421 50 0 DGAAHN Cc1ccccc1C[C@@]1(CO)CCCN(Cc2ccccn2)C1 ZINC000015076268 431601770 /nfs/dbraw/zinc/60/17/70/431601770.db2.gz QHNZHHSPBCNOFV-FQEVSTJZSA-N 0 3 310.441 3.207 50 0 DGAAHN O=C1Nc2ccccc2[C@H]1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000020759448 431625236 /nfs/dbraw/zinc/62/52/36/431625236.db2.gz YGURMDITZSVQME-FUHWJXTLSA-N 0 3 303.365 3.091 50 0 biogenic DGAAHN CN(C)C(=O)CCN1CCc2sccc2[C@H]1c1ccccc1 ZINC000025946060 431668383 /nfs/dbraw/zinc/66/83/83/431668383.db2.gz HIKLHVBPLMHWTC-GOSISDBHSA-N 0 3 314.454 3.174 50 0 DGAAHN CN(C)C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000028317074 431706254 /nfs/dbraw/zinc/70/62/54/431706254.db2.gz METLGLASTQLSIU-FQEVSTJZSA-N 0 3 320.440 3.265 50 0 DGAAHN Cc1cccn2c(=O)cc(CN(C)[C@H]3CCc4ccccc43)nc12 ZINC000029486260 431725498 /nfs/dbraw/zinc/72/54/98/431725498.db2.gz PGNIVVMAVQDXIN-SFHVURJKSA-N 0 3 319.408 3.122 50 0 DGAAHN O=C(CCc1ccccc1)NCCCN1CCc2ccccc2C1 ZINC000029838603 431728699 /nfs/dbraw/zinc/72/86/99/431728699.db2.gz ZEGNBRIGHRPDBN-UHFFFAOYSA-N 0 3 322.452 3.184 50 0 DGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000032819909 431792505 /nfs/dbraw/zinc/79/25/05/431792505.db2.gz SXKVENRONXMXSF-INIZCTEOSA-N 0 3 319.408 3.172 50 0 DGAAHN COc1cccc(CN2CCN(C3CCCCC3)CC2)c1OC ZINC000032520041 431782922 /nfs/dbraw/zinc/78/29/22/431782922.db2.gz CLPVOKSGZYGHJX-UHFFFAOYSA-N 0 3 318.461 3.154 50 0 DGAAHN COCCOc1ccc(CN[C@H]2CCc3ccc(C)cc32)cn1 ZINC000089657352 431873931 /nfs/dbraw/zinc/87/39/31/431873931.db2.gz SFBHCNXJASMJBC-SFHVURJKSA-N 0 3 312.413 3.192 50 0 DGAAHN O[C@@H](CNCc1cc(Br)cs1)c1ccccc1 ZINC000035112778 431823738 /nfs/dbraw/zinc/82/37/38/431823738.db2.gz JRMJXVNBFWVVCO-ZDUSSCGKSA-N 0 3 312.232 3.334 50 0 DGAAHN COc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000048252805 431921418 /nfs/dbraw/zinc/92/14/18/431921418.db2.gz KPBNPRKQURCWMW-KRWDZBQOSA-N 0 3 313.401 3.120 50 0 DGAAHN CN(C)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000048265714 431921814 /nfs/dbraw/zinc/92/18/14/431921814.db2.gz MVYNKDDHUPVENR-INIZCTEOSA-N 0 3 302.805 3.373 50 0 DGAAHN c1cc(-c2ccc(CN3CCC[C@]4(CCOC4)C3)s2)n[nH]1 ZINC000095367693 431922708 /nfs/dbraw/zinc/92/27/08/431922708.db2.gz CFCGRTHZXMASTB-INIZCTEOSA-N 0 3 303.431 3.141 50 0 DGAAHN C[C@H]1CCCCN1C1CN(C(=O)C2=Cc3ccccc3OC=C2)C1 ZINC000095375059 431924294 /nfs/dbraw/zinc/92/42/94/431924294.db2.gz CDPUROVFGKUGQB-HNNXBMFYSA-N 0 3 324.424 3.061 50 0 DGAAHN Cc1cccc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)n1 ZINC000095383368 431924338 /nfs/dbraw/zinc/92/43/38/431924338.db2.gz NFPKXKYGPBBNJB-PZJWPPBQSA-N 0 3 321.468 3.486 50 0 DGAAHN c1nc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)cs1 ZINC000095382771 431924452 /nfs/dbraw/zinc/92/44/52/431924452.db2.gz QCHOWYNCGIFYMK-FUHWJXTLSA-N 0 3 313.470 3.240 50 0 DGAAHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccsc2)cc1 ZINC000095420292 431925051 /nfs/dbraw/zinc/92/50/51/431925051.db2.gz KHCBKOHWWXUHCN-GFCCVEGCSA-N 0 3 324.471 3.361 50 0 DGAAHN CCN1CCC[C@@H]1CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000044670855 431876003 /nfs/dbraw/zinc/87/60/03/431876003.db2.gz HUDDAKGMPHFFKG-MRXNPFEDSA-N 0 3 313.445 3.091 50 0 DGAAHN Cc1nc(Cl)cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000089708991 431876560 /nfs/dbraw/zinc/87/65/60/431876560.db2.gz CDCLRFAWJNZEKQ-XJKSGUPXSA-N 0 3 302.809 3.296 50 0 DGAAHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422863 431925310 /nfs/dbraw/zinc/92/53/10/431925310.db2.gz FNPQCDJKTZNANN-CMPLNLGQSA-N 0 3 314.401 3.273 50 0 DGAAHN CCc1nc2c(s1)[C@H](NCCOc1cccnc1)CCC2 ZINC000095422458 431925372 /nfs/dbraw/zinc/92/53/72/431925372.db2.gz NGEIAFVPTFCKDA-CYBMUJFWSA-N 0 3 303.431 3.147 50 0 DGAAHN COc1ccccc1[C@@H](C)N(C)CCC(=O)Nc1cc(C)on1 ZINC000044914499 431879456 /nfs/dbraw/zinc/87/94/56/431879456.db2.gz LKXIYWZZMJWQRS-CYBMUJFWSA-N 0 3 317.389 3.013 50 0 DGAAHN CC[C@@H](NC1CCN(Cc2ccccn2)CC1)c1nccs1 ZINC000095422820 431925584 /nfs/dbraw/zinc/92/55/84/431925584.db2.gz RYDNYZFUJVMFPR-MRXNPFEDSA-N 0 3 316.474 3.243 50 0 DGAAHN CC(=O)Nc1cccc([C@H](C)NC[C@@]2(O)CCc3ccccc32)c1 ZINC000090780106 431895369 /nfs/dbraw/zinc/89/53/69/431895369.db2.gz DOGDSMWIVWTNCD-XOBRGWDASA-N 0 3 324.424 3.130 50 0 DGAAHN Cc1ccccc1CC1(NC(=O)Nc2cccc(CN)c2)CC1 ZINC000097575112 431971828 /nfs/dbraw/zinc/97/18/28/431971828.db2.gz LLDJCSYIVZGADZ-UHFFFAOYSA-N 0 3 309.413 3.351 50 0 DGAAHN Cc1c2cc(F)ccc2[nH]c1CN(C)[C@H](C)Cc1cnccn1 ZINC000097637913 431972566 /nfs/dbraw/zinc/97/25/66/431972566.db2.gz INPKMTPOUNSQOA-GFCCVEGCSA-N 0 3 312.392 3.468 50 0 DGAAHN Cc1ccc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN(C)C4)cc2)o1 ZINC000097675282 431973153 /nfs/dbraw/zinc/97/31/53/431973153.db2.gz RYZZIKFWOCCBFM-MAUKXSAKSA-N 0 3 324.424 3.421 50 0 DGAAHN Cc1noc(C2CCN(CCCOc3ccc(F)cc3)CC2)n1 ZINC000054678592 431973172 /nfs/dbraw/zinc/97/31/72/431973172.db2.gz OJECOICTBVWANX-UHFFFAOYSA-N 0 3 319.380 3.166 50 0 DGAAHN COc1ccc2c(c1)CCC[C@@H]2NCC[S@](=O)C(C)(C)C ZINC000127546959 431974774 /nfs/dbraw/zinc/97/47/74/431974774.db2.gz RLQNUNMHSJFKPX-HRAATJIYSA-N 0 3 309.475 3.209 50 0 DGAAHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccccc1 ZINC000055405272 431980856 /nfs/dbraw/zinc/98/08/56/431980856.db2.gz BTMDDCNPVWZPLY-UONOGXRCSA-N 0 3 310.388 3.015 50 0 DGAAHN CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000055065554 431976473 /nfs/dbraw/zinc/97/64/73/431976473.db2.gz KANFRUSNGPHTDQ-UHFFFAOYSA-N 0 3 323.440 3.357 50 0 DGAAHN Cc1cc(C)c(CNCc2cncn2CC(C)C)c(C)c1CO ZINC000055108932 431977083 /nfs/dbraw/zinc/97/70/83/431977083.db2.gz KTMBNSPMORLQTB-UHFFFAOYSA-N 0 3 315.461 3.246 50 0 DGAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2cccn2-c2ncccn2)c1 ZINC000055120066 431977173 /nfs/dbraw/zinc/97/71/73/431977173.db2.gz LBEVSILHFJICJO-MRXNPFEDSA-N 0 3 321.428 3.034 50 0 DGAAHN CN1CCCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095947457 431926823 /nfs/dbraw/zinc/92/68/23/431926823.db2.gz HUDLAYFGGVOKBI-UHFFFAOYSA-N 0 3 309.335 3.396 50 0 DGAAHN O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc(Cl)c(F)c1 ZINC000095956253 431928405 /nfs/dbraw/zinc/92/84/05/431928405.db2.gz PMBZRZVGYSKNFS-CQSZACIVSA-N 0 3 306.768 3.335 50 0 DGAAHN C[C@@H](NC[C@]1(O)CCCc2ccccc21)c1cncc(F)c1 ZINC000095967848 431928766 /nfs/dbraw/zinc/92/87/66/431928766.db2.gz VUYCHCVDPUQMKS-FZKQIMNGSA-N 0 3 300.377 3.095 50 0 DGAAHN Cc1cc(C)n(-c2ccc(CCN[C@@H](C)c3cnccn3)cc2)n1 ZINC000095967308 431929508 /nfs/dbraw/zinc/92/95/08/431929508.db2.gz UHAVRUVMICTWHA-INIZCTEOSA-N 0 3 321.428 3.172 50 0 DGAAHN Cc1cnc([C@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 ZINC000095968581 431930209 /nfs/dbraw/zinc/93/02/09/431930209.db2.gz NJTXZEDNFPRIPT-NWDGAFQWSA-N 0 3 319.396 3.129 50 0 DGAAHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 ZINC000095978201 431931059 /nfs/dbraw/zinc/93/10/59/431931059.db2.gz KXYJLFLMABIJNV-DYVFJYSZSA-N 0 3 313.376 3.075 50 0 DGAAHN Cc1cccc(C)c1CNc1cc(C(N)=O)ccc1CN(C)C ZINC000095986875 431931859 /nfs/dbraw/zinc/93/18/59/431931859.db2.gz QJMKVHYBWFJDAO-UHFFFAOYSA-N 0 3 311.429 3.076 50 0 DGAAHN CCc1nc(C)c([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000125715925 431934500 /nfs/dbraw/zinc/93/45/00/431934500.db2.gz JBTCPBOOBVQZDM-GXSJLCMTSA-N 0 3 321.412 3.301 50 0 DGAAHN Cc1ccc([C@@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1 ZINC000049922601 431944067 /nfs/dbraw/zinc/94/40/67/431944067.db2.gz KJTDZQIBTDLENU-FQEVSTJZSA-N 0 3 310.441 3.159 50 0 DGAAHN Fc1ccc(OC2CCN(CCc3ccccn3)CC2)cc1 ZINC000096406611 431945998 /nfs/dbraw/zinc/94/59/98/431945998.db2.gz DFNAVQKLQDINKD-UHFFFAOYSA-N 0 3 300.377 3.307 50 0 DGAAHN CC(C)C(=O)N1CC[C@@H](N[C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000096479352 431952886 /nfs/dbraw/zinc/95/28/86/431952886.db2.gz XKSOWUJRVZZBFR-UKRRQHHQSA-N 0 3 304.434 3.140 50 0 DGAAHN CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C ZINC000096492739 431953745 /nfs/dbraw/zinc/95/37/45/431953745.db2.gz IYBDTAGGJRWYEV-KBPBESRZSA-N 0 3 323.437 3.342 50 0 DGAAHN C[C@H](O)CCN(C)Cc1ccc(Br)c2cccnc12 ZINC000096497172 431954871 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/nfs/dbraw/zinc/96/74/91/431967491.db2.gz XIVGYNCEYFXQKN-UHFFFAOYSA-N 0 3 309.365 3.439 50 0 DGAAHN COc1cccc2ccc(CN(C)CCc3ccncc3)nc21 ZINC000097463601 431969266 /nfs/dbraw/zinc/96/92/66/431969266.db2.gz UIOLEJZHFYPXQJ-UHFFFAOYSA-N 0 3 307.397 3.313 50 0 DGAAHN CCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1CCCC1 ZINC000097491335 431969822 /nfs/dbraw/zinc/96/98/22/431969822.db2.gz OFBVSBAMSWMSCA-UHFFFAOYSA-N 0 3 308.388 3.298 50 0 DGAAHN c1ccc(C[C@H]2CCCN2Cc2nc(-c3cccnc3)no2)cc1 ZINC000055528370 431983362 /nfs/dbraw/zinc/98/33/62/431983362.db2.gz AAUSBQQBZZFZIF-QGZVFWFLSA-N 0 3 320.396 3.339 50 0 DGAAHN Cc1ccc2nc(C)c(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)cc2c1 ZINC000091526275 281152554 /nfs/dbraw/zinc/15/25/54/281152554.db2.gz KSMDSZRSZMATJP-NVXWUHKLSA-N 0 3 323.440 3.018 50 0 DGAAHN CCOC(=O)N1CCC(NC2(c3ccccc3F)CC2)CC1 ZINC000183158915 432263657 /nfs/dbraw/zinc/26/36/57/432263657.db2.gz QMYALSBKRMLWNE-UHFFFAOYSA-N 0 3 306.381 3.025 50 0 DGAAHN FC(F)(F)c1ccn([C@@H]2CCCN(C[C@H]3CCC=CO3)C2)n1 ZINC000249039862 432335166 /nfs/dbraw/zinc/33/51/66/432335166.db2.gz UNBCKSOTSYHSSG-CHWSQXEVSA-N 0 3 315.339 3.232 50 0 DGAAHN CCc1nc(CN[C@@H]2CCc3c(cccc3OC)C2)cs1 ZINC000192442195 432374607 /nfs/dbraw/zinc/37/46/07/432374607.db2.gz NPAKQPCNROJCGL-CYBMUJFWSA-N 0 3 302.443 3.361 50 0 DGAAHN Cc1[nH]ncc1CN(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000252479583 432378159 /nfs/dbraw/zinc/37/81/59/432378159.db2.gz BHZGDTLFJRSAFN-UHFFFAOYSA-N 0 3 317.780 3.054 50 0 DGAAHN C[C@@H](c1ccccn1)N(C)CC[C@H]1CCCCC12OCCO2 ZINC000252585803 432382999 /nfs/dbraw/zinc/38/29/99/432382999.db2.gz LEVIVGLUNPERDV-JKSUJKDBSA-N 0 3 304.434 3.398 50 0 DGAAHN COc1cc([C@H](C)NC[C@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417290 432395508 /nfs/dbraw/zinc/39/55/08/432395508.db2.gz XIJDQQWNWWUYGH-SJCJKPOMSA-N 0 3 307.365 3.294 50 0 DGAAHN Fc1ccc2c(c1)OCCC[C@@H]2NCCCOC1CCOCC1 ZINC000195557713 432627713 /nfs/dbraw/zinc/62/77/13/432627713.db2.gz QXELPWCEMBJMRX-KRWDZBQOSA-N 0 3 323.408 3.215 50 0 DGAAHN CN(Cc1cnn(-c2cccc(F)c2)c1)[C@@H]1CCOC(C)(C)C1 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0 DGAAHN CCCc1nc(C)c(CNC(=O)Nc2cccc(CN)c2)s1 ZINC000299789094 433388207 /nfs/dbraw/zinc/38/82/07/433388207.db2.gz VTIONYQKDMRPBV-UHFFFAOYSA-N 0 3 318.446 3.184 50 0 DGAAHN Fc1cc(OCCN2CC[C@]3(C2)CCCOC3)ccc1Cl ZINC000341999840 433406634 /nfs/dbraw/zinc/40/66/34/433406634.db2.gz YMLYLWDQMANIJR-INIZCTEOSA-N 0 3 313.800 3.360 50 0 DGAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccccc2)c1 ZINC000069453445 293004330 /nfs/dbraw/zinc/00/43/30/293004330.db2.gz MTYWYQPPLLJYOD-CABCVRRESA-N 0 3 309.417 3.321 50 0 DGAAHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccsc1 ZINC000293802067 433876400 /nfs/dbraw/zinc/87/64/00/433876400.db2.gz VCYSHEHQWFDQDQ-AWEZNQCLSA-N 0 3 302.443 3.436 50 0 DGAAHN c1cc([C@@H]2CCCN2CCc2ccc3c(c2)OCCO3)ccn1 ZINC000360206688 434547508 /nfs/dbraw/zinc/54/75/08/434547508.db2.gz BMNLMKLYNUNZTO-KRWDZBQOSA-N 0 3 310.397 3.232 50 0 DGAAHN CC(=O)N(C[C@H]1CCCN1CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000408524876 434586229 /nfs/dbraw/zinc/58/62/29/434586229.db2.gz DMCVHKXXXUUHSR-GXTWGEPZSA-N 0 3 319.276 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627223585 /nfs/dbraw/zinc/22/35/85/627223585.db2.gz VARABESNJATTOP-YWEYNIOJSA-N 0 3 310.397 3.319 50 0 DGAAHN O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)C1CCN(Cc2ccco2)CC1 ZINC000952967756 662209121 /nfs/dbraw/zinc/20/91/21/662209121.db2.gz LEUMEUDGDQNNEY-WBAXXEDZSA-N 0 3 316.445 3.187 50 0 DGAAHN C[C@@H]1CCCCN1C1CN(Cc2ccc3cc(F)ccc3n2)C1 ZINC001704356784 1202522996 /nfs/dbraw/zinc/52/29/96/1202522996.db2.gz KNSXOWXNUGPDBT-CQSZACIVSA-N 0 3 313.420 3.433 50 0 DGAAHN FCCn1ccc(-c2ccc(CNCc3cccnc3)s2)n1 ZINC000200515938 1081973413 /nfs/dbraw/zinc/97/34/13/1081973413.db2.gz IXNDCLLWAGSBEN-UHFFFAOYSA-N 0 3 316.405 3.266 50 0 DGAAHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1CCCc1ccccc1 ZINC000675011228 1083440888 /nfs/dbraw/zinc/44/08/88/1083440888.db2.gz QXOOALCSRWSDHA-SJORKVTESA-N 0 3 323.440 3.055 50 0 DGAAHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1CCCc1ccccc1 ZINC000675011228 1083440897 /nfs/dbraw/zinc/44/08/97/1083440897.db2.gz QXOOALCSRWSDHA-SJORKVTESA-N 0 3 323.440 3.055 50 0 DGAAHN CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@@H](CC)C1 ZINC000089949162 185270962 /nfs/dbraw/zinc/27/09/62/185270962.db2.gz ZUJJUNHZHFKKHQ-SWLSCSKDSA-N 0 3 321.490 3.147 50 0 DGAAHN CC(C)CN1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 ZINC000082039555 192353445 /nfs/dbraw/zinc/35/34/45/192353445.db2.gz HTJSOABHXIYFJT-AWEZNQCLSA-N 0 3 322.474 3.013 50 0 DGAAHN COc1cc(CN2CCN3CCCC[C@@H]3C2)cc(Cl)c1OC ZINC000092616076 185329370 /nfs/dbraw/zinc/32/93/70/185329370.db2.gz UTZCLECNDDYBPM-CQSZACIVSA-N 0 3 324.852 3.027 50 0 DGAAHN CC(C)c1ccc(NC(=O)C[C@H]2CNCCO2)c(C(C)C)c1 ZINC000095403635 185355195 /nfs/dbraw/zinc/35/51/95/185355195.db2.gz ALPYNXZYCIZHFJ-HNNXBMFYSA-N 0 3 304.434 3.250 50 0 DGAAHN C[C@@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 ZINC000095423306 185361268 /nfs/dbraw/zinc/36/12/68/185361268.db2.gz YUSBSWRTCZQGOW-BZNIZROVSA-N 0 3 311.328 3.439 50 0 DGAAHN C[C@@H](CCCO)NCc1cc(Br)ccc1Cl ZINC000095425781 185361630 /nfs/dbraw/zinc/36/16/30/185361630.db2.gz VXMKHTBCFRPZRX-VIFPVBQESA-N 0 3 306.631 3.353 50 0 DGAAHN Cc1cc(C)nc(NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000097008951 185396605 /nfs/dbraw/zinc/39/66/05/185396605.db2.gz BDGKXRHCXYNLBM-AWEZNQCLSA-N 0 3 302.447 3.404 50 0 DGAAHN C[C@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 ZINC000095423305 185361121 /nfs/dbraw/zinc/36/11/21/185361121.db2.gz YUSBSWRTCZQGOW-ZBEGNZNMSA-N 0 3 311.328 3.439 50 0 DGAAHN COC(=O)C1=C(C)O[C@@H](CN[C@H](C)c2ccc(Cl)cc2)C1 ZINC000095446907 185367820 /nfs/dbraw/zinc/36/78/20/185367820.db2.gz XSOXYMCLBXLXSF-QMTHXVAHSA-N 0 3 309.793 3.227 50 0 DGAAHN CC(C)Oc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000095466219 185371842 /nfs/dbraw/zinc/37/18/42/185371842.db2.gz HJSNSLVFXZGHHX-HOCLYGCPSA-N 0 3 317.433 3.032 50 0 DGAAHN Cc1ccc(CN(CCN(C)C)Cc2cccc(C)n2)s1 ZINC000063846409 432007475 /nfs/dbraw/zinc/00/74/75/432007475.db2.gz WKSYZZKMGFEKPG-UHFFFAOYSA-N 0 3 303.475 3.324 50 0 DGAAHN CC(C)c1nn(C)cc1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000097159041 185417054 /nfs/dbraw/zinc/41/70/54/185417054.db2.gz KENDUAXKCVPNIW-OAHLLOKOSA-N 0 3 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/nfs/dbraw/zinc/61/17/25/296611725.db2.gz QCHHISYKCWBUHC-UHFFFAOYSA-N 0 3 308.429 3.170 50 0 DGAAHN O=C(NC1CCN(C2CCC2)CC1)c1nccc2ccsc21 ZINC000627669140 401483371 /nfs/dbraw/zinc/48/33/71/401483371.db2.gz UIPADZQMKHTHGN-UHFFFAOYSA-N 0 3 315.442 3.043 50 0 DGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1 ZINC000000525831 292356015 /nfs/dbraw/zinc/35/60/15/292356015.db2.gz OVDAQVIEYIDYQE-PKOBYXMFSA-N 0 3 306.409 3.443 50 0 biogenic DGAAHN FC(F)(F)[C@H]1CCC[C@H](NCc2nncn2-c2ccccc2)C1 ZINC000129264373 196033640 /nfs/dbraw/zinc/03/36/40/196033640.db2.gz NIGBYKMQTPUVLE-STQMWFEESA-N 0 3 324.350 3.478 50 0 DGAAHN C[C@@H](O)[C@H]1CCCN(Cc2cn(C)nc2C2CCCCC2)C1 ZINC000136833608 432163444 /nfs/dbraw/zinc/16/34/44/432163444.db2.gz ZAGNCWIRSNRLBU-ZBFHGGJFSA-N 0 3 305.466 3.061 50 0 DGAAHN C[C@@H](C(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000131301877 196159394 /nfs/dbraw/zinc/15/93/94/196159394.db2.gz YKDAWUNWURTEJA-MRXNPFEDSA-N 0 3 323.440 3.218 50 0 DGAAHN CCc1nc2c(s1)[C@@H](N(C)CCCn1ccnc1)CCC2 ZINC000182956284 432245378 /nfs/dbraw/zinc/24/53/78/432245378.db2.gz CKGXWYCCMDXXMT-AWEZNQCLSA-N 0 3 304.463 3.302 50 0 DGAAHN CC[C@H](N[C@@H](C)Cn1cc(Br)cn1)c1ccncc1 ZINC000163711378 273752125 /nfs/dbraw/zinc/75/21/25/273752125.db2.gz KNQAJUOKOIXNTA-FZMZJTMJSA-N 0 3 323.238 3.170 50 0 DGAAHN C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000230211496 287701339 /nfs/dbraw/zinc/70/13/39/287701339.db2.gz QIMXVAQVVXWPFY-OWCLPIDISA-N 0 3 309.498 3.375 50 0 DGAAHN CCN(C(=O)c1ccncc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060127899 276301460 /nfs/dbraw/zinc/30/14/60/276301460.db2.gz KOEHSYLEWCJSAR-QFBILLFUSA-N 0 3 323.440 3.379 50 0 DGAAHN CCN(CC)[C@@H](CNc1ncnc2oc(C)nc21)c1ccco1 ZINC000055358179 276336987 /nfs/dbraw/zinc/33/69/87/276336987.db2.gz JXOJXNRQYVNGLP-LBPRGKRZSA-N 0 3 315.377 3.014 50 0 DGAAHN CN1CCCCc2c(N)c3cc(Br)ccc3nc21 ZINC000000321321 277047409 /nfs/dbraw/zinc/04/74/09/277047409.db2.gz ULSVGSPJCPZLEO-UHFFFAOYSA-N 0 3 306.207 3.352 50 0 biogenic DGAAHN COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000010017885 278007644 /nfs/dbraw/zinc/00/76/44/278007644.db2.gz KUMMQVPQKJKKPC-SFHVURJKSA-N 0 3 312.413 3.036 50 0 DGAAHN CSc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000242302187 278172571 /nfs/dbraw/zinc/17/25/71/278172571.db2.gz YQGGBPVPWGVWOS-QGZVFWFLSA-N 0 3 320.502 3.095 50 0 DGAAHN C[C@@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000090518244 278233913 /nfs/dbraw/zinc/23/39/13/278233913.db2.gz RBUMWEATONXZAT-QDUSTFBWSA-N 0 3 307.459 3.180 50 0 DGAAHN CC(C)Oc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 ZINC000000007547 431111736 /nfs/dbraw/zinc/11/17/36/431111736.db2.gz GYYRMJMXXLJZAB-UHFFFAOYSA-N 0 3 309.413 3.436 50 0 in-vitro DGAAHN CN(C[C@@H]1CCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064453 431116573 /nfs/dbraw/zinc/11/65/73/431116573.db2.gz NPKQYXUTEDEBMG-VQISRLSMSA-N 0 3 316.228 3.062 50 0 DGAAHN C[C@@H](NC(C)(C)CNC(=O)CC(F)(F)F)c1ccccc1 ZINC000068385586 431126116 /nfs/dbraw/zinc/12/61/16/431126116.db2.gz UHQYSKSNADDUPF-LLVKDONJSA-N 0 3 302.340 3.184 50 0 DGAAHN C[C@@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000300485 431161564 /nfs/dbraw/zinc/16/15/64/431161564.db2.gz HBHDQNPFGNFTOS-RHSMWYFYSA-N 0 3 304.409 3.162 50 0 DGAAHN CCN(CC)[C@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000000347602 431167716 /nfs/dbraw/zinc/16/77/16/431167716.db2.gz AHWONPJLHQVHGO-CYBMUJFWSA-N 0 3 300.446 3.333 50 0 DGAAHN Cc1cccc(C)c1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000000351999 431171427 /nfs/dbraw/zinc/17/14/27/431171427.db2.gz ZRSMIXOOTWJODX-IBGZPJMESA-N 0 3 311.425 3.101 50 0 DGAAHN C[C@@H](NCc1c[nH]nc1-c1cccs1)[C@@H](C)n1cccn1 ZINC000069368643 431181118 /nfs/dbraw/zinc/18/11/18/431181118.db2.gz ZVSWDFXKYJTFKU-VXGBXAGGSA-N 0 3 301.419 3.074 50 0 DGAAHN CN(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1 ZINC000000454038 431185724 /nfs/dbraw/zinc/18/57/24/431185724.db2.gz FZRODLTYNSZVDS-UHFFFAOYSA-N 0 3 304.340 3.425 50 0 DGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000069512776 431192571 /nfs/dbraw/zinc/19/25/71/431192571.db2.gz 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/nfs/dbraw/zinc/21/97/15/431219715.db2.gz KZBYAZPOTCUKDD-FUHWJXTLSA-N 0 3 323.440 3.379 50 0 DGAAHN CCN1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000069895083 431229463 /nfs/dbraw/zinc/22/94/63/431229463.db2.gz OQIMNEAROIZQDF-UHFFFAOYSA-N 0 3 318.314 3.012 50 0 DGAAHN Cc1ccsc1CN(C)Cc1cc(C)n(-n2cnnc2)c1C ZINC000071416077 431280453 /nfs/dbraw/zinc/28/04/53/431280453.db2.gz XSTUZTDEEVNGMW-UHFFFAOYSA-N 0 3 315.446 3.010 50 0 DGAAHN Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21 ZINC000003136738 431285326 /nfs/dbraw/zinc/28/53/26/431285326.db2.gz SGPHAVYYCSVFLI-UHFFFAOYSA-N 0 3 320.400 3.031 50 0 aggregator DGAAHN O[C@@H](CNCc1ccccc1)COCc1ccc(Cl)cc1 ZINC000003241687 431288071 /nfs/dbraw/zinc/28/80/71/431288071.db2.gz HUJBPYXFFMWRCZ-KRWDZBQOSA-N 0 3 305.805 3.007 50 0 DGAAHN CC[C@H](OC1CCCC1)C(=O)NC1CCN(CC=C(C)C)CC1 ZINC000071903939 431313157 /nfs/dbraw/zinc/31/31/57/431313157.db2.gz KLHVYEZFBZFFPY-SFHVURJKSA-N 0 3 322.493 3.271 50 0 DGAAHN COc1ccc(CNCCc2ccc(F)cc2)c(OC)c1C ZINC000002729612 431263356 /nfs/dbraw/zinc/26/33/56/431263356.db2.gz SFXWOJHKBOPAHQ-UHFFFAOYSA-N 0 3 303.377 3.484 50 0 DGAAHN O=C1C[C@H](NCc2ccsc2)CN1CCCc1ccccc1 ZINC000012715150 431525743 /nfs/dbraw/zinc/52/57/43/431525743.db2.gz ORHMNFBXKJUKHZ-KRWDZBQOSA-N 0 3 314.454 3.071 50 0 DGAAHN COc1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012773673 431526615 /nfs/dbraw/zinc/52/66/15/431526615.db2.gz WSHWHGAFGMRJEG-SFHVURJKSA-N 0 3 310.397 3.131 50 0 DGAAHN Cc1ccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)s1 ZINC000011878803 431483175 /nfs/dbraw/zinc/48/31/75/431483175.db2.gz ITPLIPLIILAKFQ-AWEZNQCLSA-N 0 3 306.475 3.327 50 0 DGAAHN Cc1occc1C(=O)N[C@H]1CCCN(CC2CCCCC2)C1 ZINC000011874879 431483545 /nfs/dbraw/zinc/48/35/45/431483545.db2.gz ZLMTZPCTBIYNBW-INIZCTEOSA-N 0 3 304.434 3.363 50 0 DGAAHN Cc1ccc([C@@H](O)CN[C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000075572715 431486648 /nfs/dbraw/zinc/48/66/48/431486648.db2.gz MVYIVVBGOJMVDA-QAPCUYQASA-N 0 3 312.413 3.035 50 0 DGAAHN c1ccc2c(c1)ccc1nnc(SCCN3CCCCC3)n12 ZINC000011907570 431489046 /nfs/dbraw/zinc/48/90/46/431489046.db2.gz GWHSEPAIYOHWPM-UHFFFAOYSA-N 0 3 312.442 3.461 50 0 DGAAHN Cc1c([C@@H](C)NCC(C)(C)CO)cnn1-c1ccc(F)cc1F ZINC000012072831 431490922 /nfs/dbraw/zinc/49/09/22/431490922.db2.gz ZFXWHLFDPPFYQU-LLVKDONJSA-N 0 3 323.387 3.128 50 0 DGAAHN CCCCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012971263 431538481 /nfs/dbraw/zinc/53/84/81/431538481.db2.gz ZRAVQFGGECTWKX-UHFFFAOYSA-N 0 3 303.450 3.140 50 0 DGAAHN CCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000013326241 431552325 /nfs/dbraw/zinc/55/23/25/431552325.db2.gz PVZNCUDMLOSYHK-UHFFFAOYSA-N 0 3 301.217 3.208 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000014903539 431599040 /nfs/dbraw/zinc/59/90/40/431599040.db2.gz BJNPVXNSOUBGGS-HHNLSAEISA-N 0 3 312.413 3.492 50 0 DGAAHN Fc1ccc2[nH]c(C3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000077322777 431584580 /nfs/dbraw/zinc/58/45/80/431584580.db2.gz UYIKYJLNHJEVAD-UHFFFAOYSA-N 0 3 310.376 3.477 50 0 DGAAHN OCc1nc2ccccc2n1CN1CC=C(c2ccccc2)CC1 ZINC000025763920 431666587 /nfs/dbraw/zinc/66/65/87/431666587.db2.gz ZMOFNRIVAAJZFR-UHFFFAOYSA-N 0 3 319.408 3.275 50 0 DGAAHN CCN(C)CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000078678887 431696691 /nfs/dbraw/zinc/69/66/91/431696691.db2.gz WKOMCXMWPAHDJB-UHFFFAOYSA-N 0 3 314.404 3.483 50 0 DGAAHN Cc1c(C)n(C[C@H](O)CNCc2ccco2)c2ccc(F)cc12 ZINC000028297184 431706389 /nfs/dbraw/zinc/70/63/89/431706389.db2.gz LBQVPLSLINQRDH-OAHLLOKOSA-N 0 3 316.376 3.141 50 0 DGAAHN C[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032779373 431791004 /nfs/dbraw/zinc/79/10/04/431791004.db2.gz RDTJYYSKQKYZCL-MRXNPFEDSA-N 0 3 315.461 3.235 50 0 DGAAHN CCCCN[C@H](CN1CCCCC1)Oc1ccccc1OC ZINC000033619184 431814024 /nfs/dbraw/zinc/81/40/24/431814024.db2.gz XGVSPFYWCCLYBO-SFHVURJKSA-N 0 3 306.450 3.276 50 0 DGAAHN CC[C@@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000036869666 431841668 /nfs/dbraw/zinc/84/16/68/431841668.db2.gz QVHFAMAWDPXLLD-CQSZACIVSA-N 0 3 305.809 3.112 50 0 DGAAHN COc1ccccc1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000040157951 431857378 /nfs/dbraw/zinc/85/73/78/431857378.db2.gz FMSZOFHRQOMJSK-UHFFFAOYSA-N 0 3 324.424 3.221 50 0 DGAAHN CS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000089319434 431863525 /nfs/dbraw/zinc/86/35/25/431863525.db2.gz OFFPAQDWPSWJQS-JKSUJKDBSA-N 0 3 321.490 3.496 50 0 DGAAHN C[C@H]1C[C@H](C)CN(CCn2cnc3c(Cl)cccc3c2=O)C1 ZINC000043089104 431867212 /nfs/dbraw/zinc/86/72/12/431867212.db2.gz LDHBXILIVNSRBO-STQMWFEESA-N 0 3 319.836 3.028 50 0 DGAAHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2)[C@H](F)C1 ZINC000034531716 431820418 /nfs/dbraw/zinc/82/04/18/431820418.db2.gz JXBLMDWEOQDVAC-HUUCEWRRSA-N 0 3 308.397 3.124 50 0 DGAAHN c1ccc(CCCN2CCN(CCc3ccccc3)CC2)cc1 ZINC000034946822 431820946 /nfs/dbraw/zinc/82/09/46/431820946.db2.gz YASKXVBOOYYZMJ-UHFFFAOYSA-N 0 3 308.469 3.480 50 0 DGAAHN COc1ccc(CCN[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000036585023 431839359 /nfs/dbraw/zinc/83/93/59/431839359.db2.gz HRXPSPDAQKNYEO-SFHVURJKSA-N 0 3 310.397 3.430 50 0 DGAAHN COc1ccc(CCN[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000036585021 431839750 /nfs/dbraw/zinc/83/97/50/431839750.db2.gz HRXPSPDAQKNYEO-GOSISDBHSA-N 0 3 310.397 3.430 50 0 DGAAHN O=C(/C=C/c1cccnc1)Nc1cccc(CN2CCCC2)c1 ZINC000047452440 431909912 /nfs/dbraw/zinc/90/99/12/431909912.db2.gz CBDOFUMHCHYNNE-CMDGGOBGSA-N 0 3 307.397 3.329 50 0 DGAAHN O[C@H](COCc1ccco1)CN1CCC[C@@H]1c1cccs1 ZINC000048277776 431922578 /nfs/dbraw/zinc/92/25/78/431922578.db2.gz ZZNPBETXQKRFTD-DZGCQCFKSA-N 0 3 307.415 3.056 50 0 DGAAHN Cc1nc2sccc2c(N2CC(N3CCCC[C@@H]3C)C2)n1 ZINC000095370427 431923926 /nfs/dbraw/zinc/92/39/26/431923926.db2.gz KUJSAEYYPWBSOT-NSHDSACASA-N 0 3 302.447 3.063 50 0 DGAAHN Cc1cc(N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)nc(N)n1 ZINC000095379279 431924376 /nfs/dbraw/zinc/92/43/76/431924376.db2.gz PWNFDEAVYUCHND-LJQANCHMSA-N 0 3 322.412 3.202 50 0 DGAAHN O=C(OCC1CCN(Cc2ccco2)CC1)c1ccc(F)cc1 ZINC000089797753 431879894 /nfs/dbraw/zinc/87/98/94/431879894.db2.gz WEGKLOVVQDHRPN-UHFFFAOYSA-N 0 3 317.360 3.488 50 0 DGAAHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422865 431925470 /nfs/dbraw/zinc/92/54/70/431925470.db2.gz FNPQCDJKTZNANN-JQWIXIFHSA-N 0 3 314.401 3.273 50 0 DGAAHN c1cc(-c2ccc(CN3CCC(c4cc[nH]n4)CC3)s2)n[nH]1 ZINC000097594837 431971866 /nfs/dbraw/zinc/97/18/66/431971866.db2.gz IPMONGNMSHMPHL-UHFFFAOYSA-N 0 3 313.430 3.241 50 0 DGAAHN COc1ccc(F)c(CN2CCC(Cn3ccnc3C)CC2)c1 ZINC000097610279 431972309 /nfs/dbraw/zinc/97/23/09/431972309.db2.gz BOORSPYATRGFLH-UHFFFAOYSA-N 0 3 317.408 3.251 50 0 DGAAHN CN(C)[C@@H](CNc1ncnc2sccc21)c1cccs1 ZINC000054771837 431973151 /nfs/dbraw/zinc/97/31/51/431973151.db2.gz ZDYMMBVFXYTRKS-NSHDSACASA-N 0 3 304.444 3.468 50 0 DGAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1 ZINC000055383046 431980832 /nfs/dbraw/zinc/98/08/32/431980832.db2.gz YJCNPVVANLMVNQ-OAHLLOKOSA-N 0 3 312.413 3.224 50 0 DGAAHN CNC(=O)[C@@H]1CCCCN1CC(c1ccccc1)c1ccccc1 ZINC000097785619 431975142 /nfs/dbraw/zinc/97/51/42/431975142.db2.gz RBMZILLJPPXTGG-FQEVSTJZSA-N 0 3 322.452 3.419 50 0 DGAAHN c1cc(-c2cccnc2)oc1CNCCc1cn2c(n1)CCCC2 ZINC000097922861 431975421 /nfs/dbraw/zinc/97/54/21/431975421.db2.gz OZRGKAGZIWJNCF-UHFFFAOYSA-N 0 3 322.412 3.207 50 0 DGAAHN COc1ccc(CN(Cc2ccccn2)CC(C)C)cc1CO ZINC000055098781 431976654 /nfs/dbraw/zinc/97/66/54/431976654.db2.gz FGHKPXAZCULQMQ-UHFFFAOYSA-N 0 3 314.429 3.241 50 0 DGAAHN O=C(/C=C/c1ccccn1)Nc1cccc(CN2CCCC2)c1 ZINC000055308156 431979241 /nfs/dbraw/zinc/97/92/41/431979241.db2.gz IUYSHACEGVTKML-MDZDMXLPSA-N 0 3 307.397 3.329 50 0 DGAAHN C[C@@H](NC[C@@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095943531 431927320 /nfs/dbraw/zinc/92/73/20/431927320.db2.gz CQDGOPJCQIYBHB-PSASIEDQSA-N 0 3 319.232 3.378 50 0 DGAAHN CC(C)N(Cc1cc(F)cc(Br)c1)C[C@@H](C)O ZINC000095963691 431929056 /nfs/dbraw/zinc/92/90/56/431929056.db2.gz WHBDYJJNRMMESL-SNVBAGLBSA-N 0 3 304.203 3.179 50 0 DGAAHN Cc1cc(F)ccc1[C@@H](O)CN1CCN(C)c2ccccc2C1 ZINC000095963074 431929445 /nfs/dbraw/zinc/92/94/45/431929445.db2.gz GJWWFYNVIQYYGZ-IBGZPJMESA-N 0 3 314.404 3.120 50 0 DGAAHN 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c1cn(Cc2cccnc2)c([C@H]2CCCN(c3ccncc3)C2)n1 ZINC000092004427 193139911 /nfs/dbraw/zinc/13/99/11/193139911.db2.gz WCURNADPPVMTBG-KRWDZBQOSA-N 0 3 319.412 3.105 50 0 DGAAHN Cc1nc([C@H](C)NC(=O)C2(N3CCCC3)CCCC2)cs1 ZINC000215225816 201454345 /nfs/dbraw/zinc/45/43/45/201454345.db2.gz CKTWPRINKARZRN-LBPRGKRZSA-N 0 3 307.463 3.037 50 0 DGAAHN CCn1c(CNC[C@H]2CCCn3cc(C)nc32)nc2ccccc21 ZINC000089305494 283944390 /nfs/dbraw/zinc/94/43/90/283944390.db2.gz ZRPOASNAJMAYAD-OAHLLOKOSA-N 0 3 323.444 3.228 50 0 DGAAHN COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(C)(C)N)cc1 ZINC000262487405 203307660 /nfs/dbraw/zinc/30/76/60/203307660.db2.gz VBYHFBMCTXKOAO-CYBMUJFWSA-N 0 3 312.413 3.277 50 0 DGAAHN Cc1ccc(CN2CCC(N3CCCCC3=O)CC2)c(C)c1 ZINC000093741648 193299021 /nfs/dbraw/zinc/29/90/21/193299021.db2.gz PNNNMSPITKJWBE-UHFFFAOYSA-N 0 3 300.446 3.280 50 0 DGAAHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 ZINC000095978202 193472478 /nfs/dbraw/zinc/47/24/78/193472478.db2.gz KXYJLFLMABIJNV-SUMWQHHRSA-N 0 3 313.376 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OCC[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C1CCCC1 ZINC000023361177 182358209 /nfs/dbraw/zinc/35/82/09/182358209.db2.gz NVIMHEXGZJLAGD-GOSISDBHSA-N 0 3 322.880 3.151 50 0 DGAAHN CN(C)C[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000024991145 182397428 /nfs/dbraw/zinc/39/74/28/182397428.db2.gz HBBWDFIBTISGQR-MRXNPFEDSA-N 0 3 301.365 3.250 50 0 DGAAHN CN1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000025598054 182417597 /nfs/dbraw/zinc/41/75/97/182417597.db2.gz MCYVNWHVLNGFCR-UHFFFAOYSA-N 0 3 309.413 3.254 50 0 DGAAHN CN(C)CCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000036613617 182828382 /nfs/dbraw/zinc/82/83/82/182828382.db2.gz STSJYDXLMKXSAN-UHFFFAOYSA-N 0 3 310.323 3.194 50 0 DGAAHN Cc1ccccc1OC[C@@H](O)CN(C)[C@@H]1CCc2ccccc21 ZINC000040049834 183029911 /nfs/dbraw/zinc/02/99/11/183029911.db2.gz JSHQYXIKYNOEOR-PKOBYXMFSA-N 0 3 311.425 3.354 50 0 DGAAHN Cc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)cc1C ZINC000039437038 183018372 /nfs/dbraw/zinc/01/83/72/183018372.db2.gz YPKCDBZOFAVJQT-LJQANCHMSA-N 0 3 318.505 3.218 50 0 DGAAHN Cc1cc(C)cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000039537426 183020409 /nfs/dbraw/zinc/02/04/09/183020409.db2.gz JVHAQGYVEAIXAE-HXUWFJFHSA-N 0 3 316.489 3.115 50 0 DGAAHN CC[C@@H](NCCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 ZINC000039975604 183026087 /nfs/dbraw/zinc/02/60/87/183026087.db2.gz JWYSGZWMCNTIMR-OAHLLOKOSA-N 0 3 317.389 3.061 50 0 DGAAHN Cc1cc(NC(=O)CCN2CCC[C@@H]2c2ccsc2)no1 ZINC000040528262 183093664 /nfs/dbraw/zinc/09/36/64/183093664.db2.gz SJRINRXYRSUBFW-CYBMUJFWSA-N 0 3 305.403 3.210 50 0 DGAAHN CN(Cc1cc(Br)cs1)C[C@H]1CCCOC1 ZINC000104352631 194001283 /nfs/dbraw/zinc/00/12/83/194001283.db2.gz HBBQDRGBMXQQBR-SNVBAGLBSA-N 0 3 304.253 3.369 50 0 DGAAHN C[C@H](CNC(=S)NCc1ccc(F)cc1)N1CCCC[C@@H]1C ZINC000105675674 194118965 /nfs/dbraw/zinc/11/89/65/194118965.db2.gz SNMRRVUCTSMAKW-UONOGXRCSA-N 0 3 323.481 3.053 50 0 DGAAHN CCN(C(=O)c1ccncc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106630827 194238830 /nfs/dbraw/zinc/23/88/30/194238830.db2.gz KOEHSYLEWCJSAR-VQIMIIECSA-N 0 3 323.440 3.379 50 0 DGAAHN CC(=O)Nc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000058232222 184092325 /nfs/dbraw/zinc/09/23/25/184092325.db2.gz JUAXHYWTKUQUEY-QGZVFWFLSA-N 0 3 318.804 3.122 50 0 DGAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000058264452 184095482 /nfs/dbraw/zinc/09/54/82/184095482.db2.gz JQNIQVXJFIVLAX-KRWDZBQOSA-N 0 3 300.446 3.205 50 0 DGAAHN Cn1nccc1C1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000058331384 184106468 /nfs/dbraw/zinc/10/64/68/184106468.db2.gz JYDXHJPQGRMOEJ-UHFFFAOYSA-N 0 3 324.403 3.487 50 0 DGAAHN CN(C)[C@H](CNC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000060321942 184146189 /nfs/dbraw/zinc/14/61/89/184146189.db2.gz DKPCJHOCLMZEBJ-GOSISDBHSA-N 0 3 319.408 3.268 50 0 DGAAHN O=C(CN1CCC[C@H]1Cc1cccc2ccccc21)NC1CC1 ZINC000060890655 184157648 /nfs/dbraw/zinc/15/76/48/184157648.db2.gz BWMZPIJSEVBXGH-SFHVURJKSA-N 0 3 308.425 3.125 50 0 DGAAHN Cc1noc(C2CCN(CCCOc3ccccc3)CC2)n1 ZINC000064940150 184306588 /nfs/dbraw/zinc/30/65/88/184306588.db2.gz WFOUKAOAZJCUKX-UHFFFAOYSA-N 0 3 301.390 3.027 50 0 DGAAHN CCCN(Cc1ccccc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590787 184301030 /nfs/dbraw/zinc/30/10/30/184301030.db2.gz KQUTULSCAWESMI-UHFFFAOYSA-N 0 3 321.424 3.415 50 0 DGAAHN Cc1nc(-c2cccs2)sc1C(=O)NCCN(C)C1CC1 ZINC000065430403 184343434 /nfs/dbraw/zinc/34/34/34/184343434.db2.gz POHUVNVVHVZTNH-UHFFFAOYSA-N 0 3 321.471 3.004 50 0 DGAAHN CC(C)(C)n1cc(C2=CCN(CCc3ccccn3)CC2)cn1 ZINC000065492764 184354321 /nfs/dbraw/zinc/35/43/21/184354321.db2.gz QRXHHINMXIMWSW-UHFFFAOYSA-N 0 3 310.445 3.365 50 0 DGAAHN Cc1ccc(NC(=O)CN[C@@H](C)Cc2ccsc2)cc1F ZINC000065533456 184361579 /nfs/dbraw/zinc/36/15/79/184361579.db2.gz BLDMVRGUZRIRGI-LBPRGKRZSA-N 0 3 306.406 3.355 50 0 DGAAHN Fc1ccc2cc(CN[C@H]3CCO[C@@H]3c3cccnc3)[nH]c2c1 ZINC000343386565 254135609 /nfs/dbraw/zinc/13/56/09/254135609.db2.gz GORLBARLDUIYIN-FUHWJXTLSA-N 0 3 311.360 3.322 50 0 DGAAHN Cc1cc(N2CCC[C@]3(C=Cc4ccccc4O3)CC2)nc(N)n1 ZINC000095379278 291936318 /nfs/dbraw/zinc/93/63/18/291936318.db2.gz PWNFDEAVYUCHND-IBGZPJMESA-N 0 3 322.412 3.202 50 0 DGAAHN Cc1c2ccccc2oc1[C@@H](NCCN1CCNC1=O)C(C)C ZINC000289640476 221121104 /nfs/dbraw/zinc/12/11/04/221121104.db2.gz BYXFJICNRPYBIX-INIZCTEOSA-N 0 3 315.417 3.053 50 0 DGAAHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000095422822 257253288 /nfs/dbraw/zinc/25/32/88/257253288.db2.gz NVMCDAQICBYVJN-VHSXEESVSA-N 0 3 301.217 3.265 50 0 DGAAHN c1ccc(CN2CCC(c3nnc4n3CCCCC4)CC2)cc1 ZINC000065381137 285474368 /nfs/dbraw/zinc/47/43/68/285474368.db2.gz INAYAJTWJWTUTD-UHFFFAOYSA-N 0 3 310.445 3.384 50 0 DGAAHN c1ccc2c(c1)CCC[C@@H]2NCc1cnc(N2CCCC2)nc1 ZINC000048680984 285501516 /nfs/dbraw/zinc/50/15/16/285501516.db2.gz ZDJMXCXAQOMDFI-SFHVURJKSA-N 0 3 308.429 3.244 50 0 DGAAHN O[C@]12CCCC[C@H]1[C@@H](c1cccc(Br)c1)NCC2 ZINC000006471269 400092471 /nfs/dbraw/zinc/09/24/71/400092471.db2.gz MBLRVINXDJTALG-ZNMIVQPWSA-N 0 3 310.235 3.405 50 0 DGAAHN Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092071627 400151078 /nfs/dbraw/zinc/15/10/78/400151078.db2.gz SJURZQBLETTZGX-MRXNPFEDSA-N 0 3 321.428 3.283 50 0 DGAAHN C[C@@H]1C[C@H](NCc2ccccc2)CC(=O)N1Cc1ccccc1 ZINC000096027113 400274434 /nfs/dbraw/zinc/27/44/34/400274434.db2.gz JKTYSVSOUOJAQP-APWZRJJASA-N 0 3 308.425 3.356 50 0 DGAAHN Cc1ccc(CN[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000097103489 400283623 /nfs/dbraw/zinc/28/36/23/400283623.db2.gz BYQKRHHPTIUBMB-CABCVRRESA-N 0 3 319.449 3.316 50 0 DGAAHN Cn1cc(CN2CC[C@@]3(CCOC3)C2)c(C2CCCCC2)n1 ZINC000097372985 400285630 /nfs/dbraw/zinc/28/56/30/400285630.db2.gz AYFCGIGHZRDEOS-GOSISDBHSA-N 0 3 303.450 3.080 50 0 DGAAHN CCOC(=O)[C@]1(c2ccccc2)C[C@H](CC)C=C[C@@H]1N(C)C ZINC000102197694 400295551 /nfs/dbraw/zinc/29/55/51/400295551.db2.gz WZJMDVVXTPWBRB-AYBZRNKSSA-N 0 3 301.430 3.404 50 0 DGAAHN c1csc(CCN2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000072299901 400380095 /nfs/dbraw/zinc/38/00/95/400380095.db2.gz OKJWHHOFXJNWKF-ZDUSSCGKSA-N 0 3 303.431 3.431 50 0 DGAAHN COc1cccc([C@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC000072286216 400378001 /nfs/dbraw/zinc/37/80/01/400378001.db2.gz UYADEKAIWXWVCW-LJQANCHMSA-N 0 3 319.445 3.152 50 0 DGAAHN Cc1coc2c1c1oc(=O)cc(C)c1cc2OCCN(C)C ZINC000075283140 400569990 /nfs/dbraw/zinc/56/99/90/400569990.db2.gz CISRKNNNZHXEMI-UHFFFAOYSA-N 0 3 301.342 3.096 50 0 DGAAHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccncc2)s1 ZINC000075415418 400584552 /nfs/dbraw/zinc/58/45/52/400584552.db2.gz OOZGNFQGIWCPNO-UHFFFAOYSA-N 0 3 318.446 3.047 50 0 DGAAHN CCCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000075572568 400596106 /nfs/dbraw/zinc/59/61/06/400596106.db2.gz ZNUUXGNDFMTXFI-UHFFFAOYSA-N 0 3 307.438 3.076 50 0 DGAAHN COc1cccc(F)c1[C@H](C)NC1CCC2(CC1)OCCO2 ZINC000156054698 400707300 /nfs/dbraw/zinc/70/73/00/400707300.db2.gz GMNFOEDVEIYUHV-LBPRGKRZSA-N 0 3 309.381 3.171 50 0 DGAAHN C[C@@H]1CCN(CCSc2nnc(Cc3cccs3)o2)C1 ZINC000079058376 400842894 /nfs/dbraw/zinc/84/28/94/400842894.db2.gz ZQWSWDSGZCUIPY-LLVKDONJSA-N 0 3 309.460 3.156 50 0 DGAAHN CCC[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccnc1 ZINC000195561694 400925006 /nfs/dbraw/zinc/92/50/06/400925006.db2.gz PTPMGIIDPCEQOV-QZTJIDSGSA-N 0 3 315.461 3.304 50 0 DGAAHN C[C@@H]1C[C@@H](CNC(=O)c2cccc([O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000195556819 400925949 /nfs/dbraw/zinc/92/59/49/400925949.db2.gz ZJRLWPBKBXIZCK-WBVHZDCISA-N 0 3 324.424 3.033 50 0 DGAAHN C[C@@H]1C[C@@H](CNC(=O)c2cccc([O-])c2)C[N@H+]1Cc1ccccc1 ZINC000195556819 400925951 /nfs/dbraw/zinc/92/59/51/400925951.db2.gz ZJRLWPBKBXIZCK-WBVHZDCISA-N 0 3 324.424 3.033 50 0 DGAAHN C[C@@H]1CC[C@H](CN2CCC(OCc3ccccc3F)CC2)O1 ZINC000225598105 400959107 /nfs/dbraw/zinc/95/91/07/400959107.db2.gz HUUUNAYJZGXZED-RHSMWYFYSA-N 0 3 307.409 3.374 50 0 DGAAHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000629729859 401060679 /nfs/dbraw/zinc/06/06/79/401060679.db2.gz HPUSQUDNKLQHPQ-LKFCYVNXSA-N 0 3 311.307 3.145 50 0 DGAAHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000629729859 401060683 /nfs/dbraw/zinc/06/06/83/401060683.db2.gz HPUSQUDNKLQHPQ-LKFCYVNXSA-N 0 3 311.307 3.145 50 0 DGAAHN O[C@@H](COCc1ccco1)CN1CCC[C@H]1c1ccsc1 ZINC000058581576 401061613 /nfs/dbraw/zinc/06/16/13/401061613.db2.gz UTTNBJQVAXNPCC-ZBFHGGJFSA-N 0 3 307.415 3.056 50 0 DGAAHN C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)C1 ZINC000252142004 401093606 /nfs/dbraw/zinc/09/36/06/401093606.db2.gz NIUIYONNBJSBMH-PVAVHDDUSA-N 0 3 306.494 3.439 50 0 DGAAHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc2n[nH]cc2c1 ZINC000253369351 401098575 /nfs/dbraw/zinc/09/85/75/401098575.db2.gz BKHNRUYZQFZMMY-KBXCAEBGSA-N 0 3 321.428 3.280 50 0 DGAAHN Cc1nc(CN(Cc2ccc(F)cc2)[C@@H]2CCN(C)C2)oc1C ZINC000089558279 401227177 /nfs/dbraw/zinc/22/71/77/401227177.db2.gz BUALLUHICDEBBN-QGZVFWFLSA-N 0 3 317.408 3.137 50 0 DGAAHN COc1c(CN[C@H]2C[C@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421528 286184153 /nfs/dbraw/zinc/18/41/53/286184153.db2.gz LEEBKBCHHBKOQZ-HOCLYGCPSA-N 0 3 317.408 3.337 50 0 DGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1 ZINC000000052258 292355115 /nfs/dbraw/zinc/35/51/15/292355115.db2.gz OVDAQVIEYIDYQE-HKUYNNGSSA-N 0 3 306.409 3.443 50 0 biogenic DGAAHN CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H](C)c1ccccn1 ZINC000106853083 287008493 /nfs/dbraw/zinc/00/84/93/287008493.db2.gz GMUXCGUQLIDVPV-HZPDHXFCSA-N 0 3 318.465 3.049 50 0 DGAAHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(CC(N)=O)CC1 ZINC000069518649 287132786 /nfs/dbraw/zinc/13/27/86/287132786.db2.gz SUXAXPVCYOOIRO-NSHDSACASA-N 0 3 314.351 3.354 50 0 DGAAHN Cc1ccccc1CN1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000039931183 274806641 /nfs/dbraw/zinc/80/66/41/274806641.db2.gz WFSIGTSTVDHBQZ-UHFFFAOYSA-N 0 3 322.408 3.110 50 0 DGAAHN C[C@@H](NCc1c[nH]nc1-c1cccs1)[C@H](C)n1cccn1 ZINC000069368647 278356865 /nfs/dbraw/zinc/35/68/65/278356865.db2.gz ZVSWDFXKYJTFKU-NEPJUHHUSA-N 0 3 301.419 3.074 50 0 DGAAHN OC(c1cccs1)(c1cccs1)[C@@H]1CN2CCC1CC2 ZINC000000038074 431113167 /nfs/dbraw/zinc/11/31/67/431113167.db2.gz CTYCSOSPTSAGHP-CYBMUJFWSA-N 0 3 305.468 3.387 50 0 in-vitro DGAAHN CCOc1ccccc1CN1CCC(C(=O)N[C@H](C)CC)CC1 ZINC000000299618 431162732 /nfs/dbraw/zinc/16/27/32/431162732.db2.gz OUSDROFTWHVKMI-OAHLLOKOSA-N 0 3 318.461 3.212 50 0 DGAAHN Cc1ccc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069171383 431169097 /nfs/dbraw/zinc/16/90/97/431169097.db2.gz FYUORFZAMITFQZ-OAQYLSRUSA-N 0 3 323.484 3.073 50 0 DGAAHN O=C(CCN1CC=C(c2ccccc2)CC1)NCc1ccccc1 ZINC000000410092 431178721 /nfs/dbraw/zinc/17/87/21/431178721.db2.gz LBWOTVQUFHARSN-UHFFFAOYSA-N 0 3 320.436 3.482 50 0 DGAAHN C[C@H](NCc1ccnc(-c2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069372208 431180661 /nfs/dbraw/zinc/18/06/61/431180661.db2.gz RSDBWRFKXXCWMT-GJZGRUSLSA-N 0 3 307.401 3.079 50 0 DGAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1OC ZINC000000211971 431147873 /nfs/dbraw/zinc/14/78/73/431147873.db2.gz ROOBULYVOVIYRW-GOSISDBHSA-N 0 3 308.381 3.420 50 0 biogenic DGAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000000239784 431150909 /nfs/dbraw/zinc/15/09/09/431150909.db2.gz UPMSIIUPFDIZBD-OAHLLOKOSA-N 0 3 308.853 3.420 50 0 DGAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000252366 431152743 /nfs/dbraw/zinc/15/27/43/431152743.db2.gz ZOLBVZZPJKANQA-FQEVSTJZSA-N 0 3 322.452 3.038 50 0 DGAAHN O=C(NC1CCN(C2CC2)CC1)N(CC1CC1)C1CCCCC1 ZINC000069762509 431219309 /nfs/dbraw/zinc/21/93/09/431219309.db2.gz ZURIHPUWVFUSMZ-UHFFFAOYSA-N 0 3 319.493 3.368 50 0 DGAAHN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C ZINC000069779861 431223171 /nfs/dbraw/zinc/22/31/71/431223171.db2.gz CRNHLMLIHYGZNR-KGLIPLIRSA-N 0 3 321.490 3.274 50 0 DGAAHN Cc1cnn(CCNCc2ccccc2Oc2cccnc2)c1 ZINC000071872140 431305261 /nfs/dbraw/zinc/30/52/61/431305261.db2.gz VIAHNGANNWUTEJ-UHFFFAOYSA-N 0 3 308.385 3.169 50 0 DGAAHN Cc1c2cccc(F)c2oc1C(=O)NCCN1CCCCCC1 ZINC000071884620 431308904 /nfs/dbraw/zinc/30/89/04/431308904.db2.gz OJVREXLAXKBZIN-UHFFFAOYSA-N 0 3 318.392 3.486 50 0 DGAAHN COc1cc(OC)c(OC)cc1CNCCc1ccc(F)cc1 ZINC000002739090 431267483 /nfs/dbraw/zinc/26/74/83/431267483.db2.gz WIDPJSGOPUSLCS-UHFFFAOYSA-N 0 3 319.376 3.184 50 0 DGAAHN CN(C)Cc1ccccc1CNC(=O)Cc1ccccc1Cl ZINC000006992748 431328204 /nfs/dbraw/zinc/32/82/04/431328204.db2.gz MJGQHXQPGBKZAM-UHFFFAOYSA-N 0 3 316.832 3.261 50 0 DGAAHN Cc1cccc(CN2CCC[C@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000072167276 431330668 /nfs/dbraw/zinc/33/06/68/431330668.db2.gz DIOMLRSXTSXCFY-FQEVSTJZSA-N 0 3 322.456 3.278 50 0 DGAAHN CCCCN1C(=O)CC[C@H]2CN(CCC(F)(F)F)CC[C@H]21 ZINC000072447571 431335162 /nfs/dbraw/zinc/33/51/62/431335162.db2.gz JXDZFAJFFQUNNR-QWHCGFSZSA-N 0 3 306.372 3.052 50 0 DGAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000008922648 431418219 /nfs/dbraw/zinc/41/82/19/431418219.db2.gz LNAUVGGMYLZTPC-UHFFFAOYSA-N 0 3 306.409 3.083 50 0 DGAAHN Cc1ccc2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cc(=O)n2c1 ZINC000008266467 431389719 /nfs/dbraw/zinc/38/97/19/431389719.db2.gz ZDBMWOCLZKODTH-JKSUJKDBSA-N 0 3 311.429 3.015 50 0 DGAAHN COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000010017880 431452590 /nfs/dbraw/zinc/45/25/90/431452590.db2.gz NNDIDJBGZROFKN-QGZVFWFLSA-N 0 3 312.413 3.036 50 0 DGAAHN COc1cccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)c1 ZINC000010228873 431456926 /nfs/dbraw/zinc/45/69/26/431456926.db2.gz ITXBDYMDBXJUTJ-GOSISDBHSA-N 0 3 310.397 3.131 50 0 DGAAHN CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000010328142 431459424 /nfs/dbraw/zinc/45/94/24/431459424.db2.gz TWZLGCXKBMMSNS-INIZCTEOSA-N 0 3 302.805 3.373 50 0 DGAAHN CC(C)/C=C/C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012581129 431520066 /nfs/dbraw/zinc/52/00/66/431520066.db2.gz MTEGXMIIEALPJW-HYSAVQALSA-N 0 3 314.473 3.412 50 0 DGAAHN Cc1c(CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cnn1C ZINC000012151028 431495067 /nfs/dbraw/zinc/49/50/67/431495067.db2.gz YTTUMRHWPYRERU-HNNXBMFYSA-N 0 3 315.465 3.030 50 0 DGAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2cc(C)c(C)o2)C1 ZINC000012314824 431498921 /nfs/dbraw/zinc/49/89/21/431498921.db2.gz NRSBUKFVKPRGGZ-SFHVURJKSA-N 0 3 323.433 3.078 50 0 DGAAHN COc1ccccc1NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000013001896 431544510 /nfs/dbraw/zinc/54/45/10/431544510.db2.gz QMWFOLDFTHDURZ-CZUORRHYSA-N 0 3 310.397 3.299 50 0 DGAAHN CCN1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013326410 431552173 /nfs/dbraw/zinc/55/21/73/431552173.db2.gz AGRIGEPFAFMYKA-UHFFFAOYSA-N 0 3 315.244 3.136 50 0 DGAAHN Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000014093125 431576637 /nfs/dbraw/zinc/57/66/37/431576637.db2.gz CHEZGESQIISSEH-GOSISDBHSA-N 0 3 311.429 3.289 50 0 DGAAHN Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000014093126 431577342 /nfs/dbraw/zinc/57/73/42/431577342.db2.gz CHEZGESQIISSEH-SFHVURJKSA-N 0 3 311.429 3.289 50 0 DGAAHN CCCCN1C[C@]2(CCCN(Cc3ccncc3)C2)CCC1=O ZINC000077453771 431597204 /nfs/dbraw/zinc/59/72/04/431597204.db2.gz PHOPVELDEBKHLR-LJQANCHMSA-N 0 3 315.461 3.086 50 0 DGAAHN CN(C)[C@H](CNc1ncnc2sccc21)Cc1ccccc1 ZINC000015128907 431603231 /nfs/dbraw/zinc/60/32/31/431603231.db2.gz NSRJNKGSEVLFPI-AWEZNQCLSA-N 0 3 312.442 3.276 50 0 DGAAHN Cc1nc[nH]c1CN1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000077505309 431603466 /nfs/dbraw/zinc/60/34/66/431603466.db2.gz WPGQKKHUPYKBKZ-UHFFFAOYSA-N 0 3 313.380 3.113 50 0 DGAAHN CC(=O)c1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489315 431613063 /nfs/dbraw/zinc/61/30/63/431613063.db2.gz RWDDDQNNVPKZQX-GASCZTMLSA-N 0 3 305.418 3.157 50 0 DGAAHN C[C@H](C1CC1)N(CC(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000029725330 431728301 /nfs/dbraw/zinc/72/83/01/431728301.db2.gz VNDCEPLWGBGENN-LLVKDONJSA-N 0 3 324.371 3.489 50 0 DGAAHN CN(C)[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000032674919 431788165 /nfs/dbraw/zinc/78/81/65/431788165.db2.gz BQHYVHQTMGGDDD-FQEVSTJZSA-N 0 3 322.452 3.137 50 0 DGAAHN O=C(Cc1cccc2ccccc21)NC1CCN(C2CC2)CC1 ZINC000032752793 431789997 /nfs/dbraw/zinc/78/99/97/431789997.db2.gz WFWRZIOYCIYUSB-UHFFFAOYSA-N 0 3 308.425 3.125 50 0 DGAAHN Cc1cccc(CN2CCC3(CC2)Nc2ccccc2C(=O)N3)c1 ZINC000034812162 431818207 /nfs/dbraw/zinc/81/82/07/431818207.db2.gz LHCVGENMBBOJEH-UHFFFAOYSA-N 0 3 321.424 3.143 50 0 DGAAHN CCN(CC)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000037547718 431847385 /nfs/dbraw/zinc/84/73/85/431847385.db2.gz XDEWLCFKYFYDNI-MRXNPFEDSA-N 0 3 302.462 3.198 50 0 DGAAHN O=C1Nc2ccccc2[C@]12CCN[C@H]2c1c(F)cccc1Cl ZINC000040286036 431857328 /nfs/dbraw/zinc/85/73/28/431857328.db2.gz POYCKBAKVBLREV-RDJZCZTQSA-N 0 3 316.763 3.404 50 0 DGAAHN CC1(C)Cc2cccc(CNC[C@@H]3CCCn4ccnc43)c2O1 ZINC000084673787 431832401 /nfs/dbraw/zinc/83/24/01/431832401.db2.gz GIEBTHLVZZYQDF-INIZCTEOSA-N 0 3 311.429 3.264 50 0 DGAAHN CC(C)CN(Cc1ccsc1)C[C@@H](O)COCc1ccco1 ZINC000036099205 431835653 /nfs/dbraw/zinc/83/56/53/431835653.db2.gz ZQSSNJKAOFEWDY-MRXNPFEDSA-N 0 3 323.458 3.377 50 0 DGAAHN Cc1ccccc1CN(C[C@@H](O)COCc1ccco1)C1CC1 ZINC000036104561 431837686 /nfs/dbraw/zinc/83/76/86/431837686.db2.gz MGJXRKXUUCTWHM-GOSISDBHSA-N 0 3 315.413 3.130 50 0 DGAAHN CN(C)Cc1ccccc1CNC(=O)CCCc1ccccc1 ZINC000036397839 431839437 /nfs/dbraw/zinc/83/94/37/431839437.db2.gz PSEUORVSTAGMIS-UHFFFAOYSA-N 0 3 310.441 3.387 50 0 DGAAHN Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000085387394 431839463 /nfs/dbraw/zinc/83/94/63/431839463.db2.gz VZEHTFKFVMELPT-XYJFISCASA-N 0 3 317.477 3.346 50 0 DGAAHN CC(C)(CN[C@@H]1CCc2c1cc(Cl)cc2Cl)C(N)=O ZINC000095462747 431926162 /nfs/dbraw/zinc/92/61/62/431926162.db2.gz SWCGBFZQZGRHQE-GFCCVEGCSA-N 0 3 301.217 3.082 50 0 DGAAHN C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccs1 ZINC000095348762 431922049 /nfs/dbraw/zinc/92/20/49/431922049.db2.gz YJLIYSTYDMDGIF-LLVKDONJSA-N 0 3 302.378 3.319 50 0 DGAAHN Cc1cccc(CC2(NC(=O)[C@H]3CCCCCN3C)CC2)c1 ZINC000095359691 431923382 /nfs/dbraw/zinc/92/33/82/431923382.db2.gz QFAHAIYIRSZLBJ-QGZVFWFLSA-N 0 3 300.446 3.061 50 0 DGAAHN c1coc([C@@H](CNc2ncnc3ccccc32)N2CCCC2)c1 ZINC000048332320 431923553 /nfs/dbraw/zinc/92/35/53/431923553.db2.gz RMLPUDJOKHWMBS-MRXNPFEDSA-N 0 3 308.385 3.472 50 0 DGAAHN CN(C)Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1 ZINC000044504034 431874249 /nfs/dbraw/zinc/87/42/49/431874249.db2.gz PCOQSFHKVBARKF-UHFFFAOYSA-N 0 3 320.396 3.186 50 0 DGAAHN Cc1csc(N(C(=O)c2cccc(CN(C)C)c2)C2CC2)n1 ZINC000089705711 431875354 /nfs/dbraw/zinc/87/53/54/431875354.db2.gz HHMYOGRNZUPHON-UHFFFAOYSA-N 0 3 315.442 3.322 50 0 DGAAHN CCN1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Cl ZINC000044670873 431876188 /nfs/dbraw/zinc/87/61/88/431876188.db2.gz LHSAORDNHPFUND-LLVKDONJSA-N 0 3 315.244 3.136 50 0 DGAAHN C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cccs1 ZINC000095422769 431925334 /nfs/dbraw/zinc/92/53/34/431925334.db2.gz UCVCYKJQKWVMSQ-SECBINFHSA-N 0 3 316.352 3.320 50 0 DGAAHN c1cn2c(n1)[C@@H](CNCc1ccccc1OCC1CC1)CCC2 ZINC000089813991 431880790 /nfs/dbraw/zinc/88/07/90/431880790.db2.gz QSKRNQVEWHAWAB-QGZVFWFLSA-N 0 3 311.429 3.339 50 0 DGAAHN C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(Cl)nc1 ZINC000089905006 431884795 /nfs/dbraw/zinc/88/47/95/431884795.db2.gz WDBWGKGXRJFJCF-LBPRGKRZSA-N 0 3 313.792 3.167 50 0 DGAAHN CCCc1nc(C(=O)N(C)CCN2CCCCCC2)cs1 ZINC000097785063 431974919 /nfs/dbraw/zinc/97/49/19/431974919.db2.gz PKVBTBGVGTVRGV-UHFFFAOYSA-N 0 3 309.479 3.044 50 0 DGAAHN c1cnn(Cc2ccc(CN3CCC(c4cc[nH]n4)CC3)cc2)c1 ZINC000097785592 431975303 /nfs/dbraw/zinc/97/53/03/431975303.db2.gz VWWVCSXNUOAHJB-UHFFFAOYSA-N 0 3 321.428 3.034 50 0 DGAAHN CC(C)c1nn(-c2ccccc2)cc1CNC1CCC(O)CC1 ZINC000048686524 431930665 /nfs/dbraw/zinc/93/06/65/431930665.db2.gz NOPFKKIDMPWLMW-UHFFFAOYSA-N 0 3 313.445 3.389 50 0 DGAAHN Cc1cc(O)ccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000095976460 431930654 /nfs/dbraw/zinc/93/06/54/431930654.db2.gz JUFDTJDHCWRHMO-QGZVFWFLSA-N 0 3 324.424 3.095 50 0 DGAAHN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000048683503 431930877 /nfs/dbraw/zinc/93/08/77/431930877.db2.gz DMOBTBUAEYXRBY-CQSZACIVSA-N 0 3 324.432 3.070 50 0 DGAAHN c1[nH]nc(-c2ccc3c(c2)OCO3)c1CNCc1ccccc1 ZINC000048681413 431930932 /nfs/dbraw/zinc/93/09/32/431930932.db2.gz JLALKKRGCIGLSS-UHFFFAOYSA-N 0 3 307.353 3.095 50 0 DGAAHN CC(C)[C@H](O)C1(CNCc2c[nH]nc2-c2cccs2)CC1 ZINC000095989209 431932709 /nfs/dbraw/zinc/93/27/09/431932709.db2.gz UWADPIZYSDWFHP-HNNXBMFYSA-N 0 3 305.447 3.025 50 0 DGAAHN CC(=O)Nc1cccc(CN(C[C@@H](O)c2ccccc2)C2CC2)c1 ZINC000096410363 431946292 /nfs/dbraw/zinc/94/62/92/431946292.db2.gz SUVDSGFJMJJQJP-HXUWFJFHSA-N 0 3 324.424 3.343 50 0 DGAAHN CSc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1F ZINC000096435405 431949420 /nfs/dbraw/zinc/94/94/20/431949420.db2.gz GVZZZMRIORYDQK-ZDUSSCGKSA-N 0 3 323.437 3.250 50 0 DGAAHN C[S@@](=O)c1ccc(CNCCSc2ccccc2F)cc1 ZINC000096461183 431951491 /nfs/dbraw/zinc/95/14/91/431951491.db2.gz XQTCUGXSPSOGCZ-NRFANRHFSA-N 0 3 323.458 3.445 50 0 DGAAHN COc1cc([C@@H](C)N[C@@H]2CCc3nc(C)cn3C2)ccc1F ZINC000096489381 431953556 /nfs/dbraw/zinc/95/35/56/431953556.db2.gz AKAAWMPZMUVNBJ-TZMCWYRMSA-N 0 3 303.381 3.005 50 0 DGAAHN C[C@H](N[C@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234807 431965736 /nfs/dbraw/zinc/96/57/36/431965736.db2.gz KERVYLVYOCMPNI-IUCAKERBSA-N 0 3 314.501 3.339 50 0 DGAAHN O[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000053945772 431965801 /nfs/dbraw/zinc/96/58/01/431965801.db2.gz JDTFQALJQQDYMB-KRWDZBQOSA-N 0 3 311.360 3.039 50 0 DGAAHN C[C@@H](N[C@@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234805 431966205 /nfs/dbraw/zinc/96/62/05/431966205.db2.gz KERVYLVYOCMPNI-RKDXNWHRSA-N 0 3 314.501 3.339 50 0 DGAAHN CCOCc1cc(CN2CCCC[C@@H]2COC)ccc1OC ZINC000097307873 431967086 /nfs/dbraw/zinc/96/70/86/431967086.db2.gz SKXPCXVNQFWNSF-QGZVFWFLSA-N 0 3 307.434 3.233 50 0 DGAAHN CCc1cc(Cl)ccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000097288722 431967262 /nfs/dbraw/zinc/96/72/62/431967262.db2.gz SOQKOQNFNCOMCW-KRWDZBQOSA-N 0 3 321.852 3.462 50 0 DGAAHN CC[C@@H](CO)[N@H+](Cc1ccccc1C)Cc1nc(C)ccc1[O-] ZINC000055575724 431984197 /nfs/dbraw/zinc/98/41/97/431984197.db2.gz UECQVXXKWPJILI-KRWDZBQOSA-N 0 3 314.429 3.177 50 0 DGAAHN CC[C@@H](CO)[N@@H+](Cc1ccccc1C)Cc1nc(C)ccc1[O-] ZINC000055575724 431984198 /nfs/dbraw/zinc/98/41/98/431984198.db2.gz UECQVXXKWPJILI-KRWDZBQOSA-N 0 3 314.429 3.177 50 0 DGAAHN CCN(C[C@@H]1CCOC1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000252241512 432375806 /nfs/dbraw/zinc/37/58/06/432375806.db2.gz KHTYKGGMEKPUPZ-KGLIPLIRSA-N 0 3 301.390 3.156 50 0 DGAAHN CN(Cc1cncn1Cc1ccccc1)C1CCSCC1 ZINC000252489014 432380099 /nfs/dbraw/zinc/38/00/99/432380099.db2.gz JDQGGYDKCOUMFI-UHFFFAOYSA-N 0 3 301.459 3.259 50 0 DGAAHN Cc1cccnc1CN(C)CCC(=O)NC1CCCCCC1 ZINC000252488995 432380312 /nfs/dbraw/zinc/38/03/12/432380312.db2.gz JDKCMDUYUFTJIY-UHFFFAOYSA-N 0 3 303.450 3.051 50 0 DGAAHN CSCC(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000252500116 432381551 /nfs/dbraw/zinc/38/15/51/432381551.db2.gz SNFSUPSWZIHMKX-INIZCTEOSA-N 0 3 306.475 3.083 50 0 DGAAHN O=C1CCCCN1CC1CCN(c2ccnc3ccccc32)CC1 ZINC000192731436 432407201 /nfs/dbraw/zinc/40/72/01/432407201.db2.gz HPZXYQFKSKYPRL-UHFFFAOYSA-N 0 3 323.440 3.464 50 0 DGAAHN CCC1=NO[C@H](CN(C)Cc2ccc(OC)c3ncccc23)C1 ZINC000252500073 432382074 /nfs/dbraw/zinc/38/20/74/432382074.db2.gz SMTVBZNIDBZCJG-HNNXBMFYSA-N 0 3 313.401 3.230 50 0 DGAAHN CN1CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)CCC1=O ZINC000257185142 432416849 /nfs/dbraw/zinc/41/68/49/432416849.db2.gz JFZOXYNBFPBRGW-UHFFFAOYSA-N 0 3 322.399 3.189 50 0 DGAAHN Cc1ccc([C@](C)(O)CN[C@H]2CCCNc3ccccc32)o1 ZINC000192899870 432427298 /nfs/dbraw/zinc/42/72/98/432427298.db2.gz XMEFGQPCWPNWOX-FUHWJXTLSA-N 0 3 300.402 3.332 50 0 DGAAHN Cc1ccc([C@](C)(O)CN[C@@H]2CCCNc3ccccc32)o1 ZINC000192899845 432427683 /nfs/dbraw/zinc/42/76/83/432427683.db2.gz XMEFGQPCWPNWOX-SJLPKXTDSA-N 0 3 300.402 3.332 50 0 DGAAHN c1ccc([C@H]2CNCCN2Cc2nc3ccccc3s2)cc1 ZINC000262139184 432476896 /nfs/dbraw/zinc/47/68/96/432476896.db2.gz MGESERNAXOHOAC-MRXNPFEDSA-N 0 3 309.438 3.443 50 0 DGAAHN Clc1ccc(OCCN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193997082 432515790 /nfs/dbraw/zinc/51/57/90/432515790.db2.gz KUPSAKYSWOUVTF-ZDUSSCGKSA-N 0 3 305.809 3.322 50 0 DGAAHN CCc1ccc(CN2CCC(OCc3ccccn3)CC2)o1 ZINC000215986886 432647978 /nfs/dbraw/zinc/64/79/78/432647978.db2.gz GNZYOMRUXLWXJD-UHFFFAOYSA-N 0 3 300.402 3.418 50 0 DGAAHN CN(CCCc1nccn1C)Cc1cc(-c2ccccc2)no1 ZINC000215347074 432643188 /nfs/dbraw/zinc/64/31/88/432643188.db2.gz WUJKIAAJWJSOAH-UHFFFAOYSA-N 0 3 310.401 3.140 50 0 DGAAHN COCc1ccc(C(=O)NC(C)(C)CN2CCCCCC2)s1 ZINC000216097538 432646940 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DGAAHN Cc1ccccc1-c1ccc(CN2CCN(C)[C@H](CCO)C2)cc1 ZINC000036379400 661189582 /nfs/dbraw/zinc/18/95/82/661189582.db2.gz LOZMAUVVWDBWMB-HXUWFJFHSA-N 0 3 324.468 3.160 50 0 DGAAHN CSCC[C@H](N)c1nc(COc2ccccc2)nn1C(C)C ZINC000952968542 662209104 /nfs/dbraw/zinc/20/91/04/662209104.db2.gz CKRSSGMMSGCRMM-AWEZNQCLSA-N 0 3 320.462 3.191 50 0 DGAAHN CCOc1ccc(CCCNC(=O)[C@H]2CCCCCN2C)cc1 ZINC000952978112 662209927 /nfs/dbraw/zinc/20/99/27/662209927.db2.gz RZDJYLFWLOCELL-GOSISDBHSA-N 0 3 318.461 3.009 50 0 DGAAHN Cc1nccn1CCN(C)Cc1cncn1C1CCCCC1 ZINC001704353490 1202522590 /nfs/dbraw/zinc/52/25/90/1202522590.db2.gz FKFMZTFSPNKWPU-UHFFFAOYSA-N 0 3 301.438 3.025 50 0 DGAAHN CCN1CCC[C@H]1CNC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095506120 185375515 /nfs/dbraw/zinc/37/55/15/185375515.db2.gz MPRICOHNQRVUBU-NSHDSACASA-N 0 3 313.804 3.393 50 0 DGAAHN Cc1ccc(-c2noc([C@@H](C)N(C)C3CCCCC3)n2)nn1 ZINC000095509256 185375720 /nfs/dbraw/zinc/37/57/20/185375720.db2.gz FJPZDTWLSLEVGE-GFCCVEGCSA-N 0 3 301.394 3.161 50 0 DGAAHN 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182141949 /nfs/dbraw/zinc/14/19/49/182141949.db2.gz NPUDXMLTUITHIF-KRWDZBQOSA-N 0 3 322.518 3.340 50 0 DGAAHN O[C@@H](CNCc1ccc(Br)cc1)c1ccccc1 ZINC000019872086 182159296 /nfs/dbraw/zinc/15/92/96/182159296.db2.gz GEBVOHRPXOMGGY-HNNXBMFYSA-N 0 3 306.203 3.272 50 0 DGAAHN CN1CCN(CCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000020118467 182188988 /nfs/dbraw/zinc/18/89/88/182188988.db2.gz MBKRIQBFHQFWSH-UHFFFAOYSA-N 0 3 303.233 3.010 50 0 DGAAHN COc1cccc2c1OC[C@@H](NCc1ccc(F)c(F)c1)C2 ZINC000020455157 182219187 /nfs/dbraw/zinc/21/91/87/182219187.db2.gz MJXVYXBBSRIXGQ-ZDUSSCGKSA-N 0 3 305.324 3.067 50 0 DGAAHN OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccs1 ZINC000020918253 182253725 /nfs/dbraw/zinc/25/37/25/182253725.db2.gz NYYMKLCDRXYNCF-QGZVFWFLSA-N 0 3 322.518 3.197 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)c1ccoc1)c1cccc(OC)c1 ZINC000023076420 182346706 /nfs/dbraw/zinc/34/67/06/182346706.db2.gz ZTHADPXTQIYDML-KRWDZBQOSA-N 0 3 316.401 3.101 50 0 DGAAHN CN(C)C[C@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000135351752 284472545 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257274506 /nfs/dbraw/zinc/27/45/06/257274506.db2.gz IWQLCCXMWGECQC-UHFFFAOYSA-N 0 3 319.449 3.096 50 0 DGAAHN CN(C)Cc1ccccc1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000368277739 257241770 /nfs/dbraw/zinc/24/17/70/257241770.db2.gz UOGYUZBFSODYRA-SFHVURJKSA-N 0 3 324.424 3.042 50 0 DGAAHN CCNC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071762766 257270580 /nfs/dbraw/zinc/27/05/80/257270580.db2.gz IRQVRVSXSWYVHV-KRWDZBQOSA-N 0 3 321.440 3.088 50 0 DGAAHN COc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000004685735 400085096 /nfs/dbraw/zinc/08/50/96/400085096.db2.gz CRNCWJOFKGJZRW-WBVHZDCISA-N 0 3 316.445 3.032 50 0 DGAAHN Cc1csc([C@@H](C)NC(=O)C2(N3CCCC3)CCCCC2)n1 ZINC000584886239 400120546 /nfs/dbraw/zinc/12/05/46/400120546.db2.gz CNISXKCDEZSPRW-CQSZACIVSA-N 0 3 321.490 3.427 50 0 DGAAHN Fc1cc(F)cc(C2(NC3CSCCSC3)CC2)c1 ZINC000584889622 400121985 /nfs/dbraw/zinc/12/19/85/400121985.db2.gz YRQSLSCPBSIRRW-UHFFFAOYSA-N 0 3 301.427 3.392 50 0 DGAAHN Cc1nonc1CN[C@H](CCc1ccc(F)cc1)C1CCC1 ZINC000584898957 400123352 /nfs/dbraw/zinc/12/33/52/400123352.db2.gz GGOHYKKXOJJHRL-MRXNPFEDSA-N 0 3 303.381 3.408 50 0 DGAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCSC3)CC2)c1 ZINC000023283467 400208963 /nfs/dbraw/zinc/20/89/63/400208963.db2.gz OGILVWZUIHJFGQ-AWEZNQCLSA-N 0 3 316.392 3.333 50 0 DGAAHN CC(C)OCc1cccc(NC(=O)NC2(CN(C)C)CCC2)c1 ZINC000390835737 400274220 /nfs/dbraw/zinc/27/42/20/400274220.db2.gz WNHWRLQWFYLFQV-UHFFFAOYSA-N 0 3 319.449 3.217 50 0 DGAAHN OC[C@H]([C@H](O)c1ccc(-c2ccccc2)cc1)N1CCCCC1 ZINC000096027516 400274293 /nfs/dbraw/zinc/27/42/93/400274293.db2.gz LOPVLYSUSHJOQX-WOJBJXKFSA-N 0 3 311.425 3.234 50 0 DGAAHN Cc1ccc(CN[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000097103492 400283551 /nfs/dbraw/zinc/28/35/51/400283551.db2.gz BYQKRHHPTIUBMB-LSDHHAIUSA-N 0 3 319.449 3.316 50 0 DGAAHN Cc1cccc(Cl)c1OCCCCCN1CCN(C)CC1 ZINC000039388711 400398317 /nfs/dbraw/zinc/39/83/17/400398317.db2.gz VFUZDKKRXDGHSL-UHFFFAOYSA-N 0 3 310.869 3.445 50 0 DGAAHN FC(F)(F)[C@@H]1CCc2nnc(CNC3CCCCCC3)n2C1 ZINC000078880377 400830289 /nfs/dbraw/zinc/83/02/89/400830289.db2.gz IRRZSUYBXKCTFS-LLVKDONJSA-N 0 3 316.371 3.215 50 0 DGAAHN CC[S@](=O)[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc2c(c1)OCO2 ZINC000245289869 401004843 /nfs/dbraw/zinc/00/48/43/401004843.db2.gz FUNMMMBQOWGGHS-XTJOKZAYSA-N 0 3 323.458 3.146 50 0 DGAAHN Cc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)n[nH]3)C2)o1 ZINC000065286944 401263240 /nfs/dbraw/zinc/26/32/40/401263240.db2.gz KFJUIAJQUVPIRU-OAHLLOKOSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)[n-]3)C2)o1 ZINC000065286944 401263243 /nfs/dbraw/zinc/26/32/43/401263243.db2.gz KFJUIAJQUVPIRU-OAHLLOKOSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)[n-]3)C2)o1 ZINC000065286944 401263246 /nfs/dbraw/zinc/26/32/46/401263246.db2.gz KFJUIAJQUVPIRU-OAHLLOKOSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1ccoc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064521817 401240786 /nfs/dbraw/zinc/24/07/86/401240786.db2.gz 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/nfs/dbraw/zinc/04/85/05/274048505.db2.gz JYRYQKRUFMXQBK-LSDHHAIUSA-N 0 3 312.413 3.305 50 0 DGAAHN C[C@@H](c1ccncc1)N(C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067741729 274279190 /nfs/dbraw/zinc/27/91/90/274279190.db2.gz HWHDZMPWHOTPPC-LBPRGKRZSA-N 0 3 311.360 3.255 50 0 DGAAHN Cc1ccc(CN2CCC3(CC2)c2ccccc2N(C)C3=O)o1 ZINC000072169172 274740650 /nfs/dbraw/zinc/74/06/50/274740650.db2.gz BGIWLRBUUGWHIL-UHFFFAOYSA-N 0 3 310.397 3.098 50 0 DGAAHN c1ccc2c(c1)oc1c2ncnc1NC1CCN(C2CC2)CC1 ZINC000022137963 275071781 /nfs/dbraw/zinc/07/17/81/275071781.db2.gz YUZLJYOMGRUUJM-UHFFFAOYSA-N 0 3 308.385 3.415 50 0 DGAAHN CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)Nc1cccnc1 ZINC000095466672 275701112 /nfs/dbraw/zinc/70/11/12/275701112.db2.gz LCBNBESFVWZGBI-KRWDZBQOSA-N 0 3 315.392 3.016 50 0 DGAAHN CN(C)C[C@H]1CSCC[C@]1(O)c1cccc(C(F)(F)F)c1 ZINC000001000512 276769996 /nfs/dbraw/zinc/76/99/96/276769996.db2.gz UFYNYMSMDPKIPS-KBPBESRZSA-N 0 3 319.392 3.208 50 0 DGAAHN CN(C)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000008752874 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/nfs/dbraw/zinc/50/57/90/431505790.db2.gz MNPJVVDBAPMXRV-INIZCTEOSA-N 0 3 304.434 3.203 50 0 DGAAHN CCc1ccc(CN2CCC(CCC(=O)N3CCCC3)CC2)o1 ZINC000012443676 431510912 /nfs/dbraw/zinc/51/09/12/431510912.db2.gz FKUXMFLTEYJFFV-UHFFFAOYSA-N 0 3 318.461 3.457 50 0 DGAAHN CSc1ccccc1CN1CCC(CN2CCCC2=O)CC1 ZINC000077504875 431601335 /nfs/dbraw/zinc/60/13/35/431601335.db2.gz WYGGXUOFZHTQMI-UHFFFAOYSA-N 0 3 318.486 3.243 50 0 DGAAHN OC[C@@H]1COCCN(Cc2cccc3c4ccccc4oc32)C1 ZINC000077519996 431604305 /nfs/dbraw/zinc/60/43/05/431604305.db2.gz ROTYECDOFZMMDH-CQSZACIVSA-N 0 3 311.381 3.027 50 0 DGAAHN C[C@H]1CCCCN1C1CN(c2ccc(-c3ccccc3)nn2)C1 ZINC000077358006 431587406 /nfs/dbraw/zinc/58/74/06/431587406.db2.gz LSCVOYNFBIRFIT-HNNXBMFYSA-N 0 3 308.429 3.207 50 0 DGAAHN O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Br)cc1)NCC2 ZINC000001819142 280437976 /nfs/dbraw/zinc/43/79/76/280437976.db2.gz VQLPEFMVRAUFFW-QLFBSQMISA-N 0 3 310.235 3.405 50 0 biogenic DGAAHN Cc1oc(C)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1C ZINC000025380612 431654039 /nfs/dbraw/zinc/65/40/39/431654039.db2.gz XCMCMHSGOXXFDT-INIZCTEOSA-N 0 3 300.402 3.238 50 0 DGAAHN CC(C)CN(CC(C)C)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000016074827 431608597 /nfs/dbraw/zinc/60/85/97/431608597.db2.gz AKGPYHXWYUAVIS-QAPCUYQASA-N 0 3 323.481 3.059 50 0 DGAAHN CN(C)CCNc1nc2ccc(Br)cc2s1 ZINC000026423993 431675158 /nfs/dbraw/zinc/67/51/58/431675158.db2.gz DDJWFSMFJWWKFN-UHFFFAOYSA-N 0 3 300.225 3.032 50 0 DGAAHN COc1ccc(OC)c([C@H](C)NC[C@@H](O)c2ccccc2)c1 ZINC000026714739 431677649 /nfs/dbraw/zinc/67/76/49/431677649.db2.gz BTBDSUYHJYCNJB-SUMWQHHRSA-N 0 3 301.386 3.088 50 0 DGAAHN CN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCCc2ccccc21 ZINC000027906420 431696875 /nfs/dbraw/zinc/69/68/75/431696875.db2.gz DMZBMWUFDRSGIQ-SFHVURJKSA-N 0 3 319.408 3.204 50 0 DGAAHN O=C(NCC1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000031664586 431763540 /nfs/dbraw/zinc/76/35/40/431763540.db2.gz XDDGSZVFSINVAE-UHFFFAOYSA-N 0 3 315.461 3.140 50 0 DGAAHN Cc1ccccc1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000032912075 431799058 /nfs/dbraw/zinc/79/90/58/431799058.db2.gz LJFFNYFYZPQURZ-HXUWFJFHSA-N 0 3 322.452 3.318 50 0 DGAAHN CCN1CCC[C@@H](OC(=O)c2cccc(Br)c2)C1 ZINC000032962584 431803517 /nfs/dbraw/zinc/80/35/17/431803517.db2.gz HPSATHBPXLFCNB-CYBMUJFWSA-N 0 3 312.207 3.090 50 0 DGAAHN CCN1CCC[C@@H](OC(=O)c2ccccc2Br)C1 ZINC000032962578 431804713 /nfs/dbraw/zinc/80/47/13/431804713.db2.gz GFDMNBUOKYWOJB-LLVKDONJSA-N 0 3 312.207 3.090 50 0 DGAAHN CC(=O)c1ccc(NC(=O)C2CCN(c3ccncc3)CC2)cc1 ZINC000033128904 431807393 /nfs/dbraw/zinc/80/73/93/431807393.db2.gz KRLBMCOYUFZUQF-UHFFFAOYSA-N 0 3 323.396 3.139 50 0 DGAAHN CC(=O)c1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1 ZINC000033128957 431807645 /nfs/dbraw/zinc/80/76/45/431807645.db2.gz OLCZESZYLPTSRB-UHFFFAOYSA-N 0 3 323.396 3.139 50 0 DGAAHN c1n[nH]cc1-c1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000032511712 431781084 /nfs/dbraw/zinc/78/10/84/431781084.db2.gz QFPVBBKYWDYIFC-UHFFFAOYSA-N 0 3 307.353 3.095 50 0 DGAAHN CCNCc1cccc(NC(=O)CCC(=O)c2cccs2)c1 ZINC000122913158 431848693 /nfs/dbraw/zinc/84/86/93/431848693.db2.gz NCHWAHPXBRVDEF-UHFFFAOYSA-N 0 3 316.426 3.459 50 0 DGAAHN CCc1nn(C)c(OC)c1CN[C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000089212643 431861378 /nfs/dbraw/zinc/86/13/78/431861378.db2.gz NLLXHZGQNRFMIS-IVMMDQJWSA-N 0 3 305.466 3.296 50 0 DGAAHN COCc1nccc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000089420466 431865372 /nfs/dbraw/zinc/86/53/72/431865372.db2.gz ZRWXHDWOSIXVJO-HNNXBMFYSA-N 0 3 315.392 3.142 50 0 DGAAHN Cc1cc(N2CCN(Cc3ccncc3)CC2)c2ccccc2n1 ZINC000089583048 431870207 /nfs/dbraw/zinc/87/02/07/431870207.db2.gz CSXADDSIIOIBRP-UHFFFAOYSA-N 0 3 318.424 3.260 50 0 DGAAHN Cc1cc(Cl)c(C(=O)NCC(C)(C)N2CCCCC2)cn1 ZINC000089575534 431870222 /nfs/dbraw/zinc/87/02/22/431870222.db2.gz RAPJWSCMQZMESW-UHFFFAOYSA-N 0 3 309.841 3.038 50 0 DGAAHN Fc1cccc(-c2cc(N3CCNCC3)nc3ccccc32)c1 ZINC000043808062 431870749 /nfs/dbraw/zinc/87/07/49/431870749.db2.gz GVAGDELDRWCOEH-UHFFFAOYSA-N 0 3 307.372 3.451 50 0 DGAAHN OCC1CCN(Cc2cccc(NCc3ccco3)c2)CC1 ZINC000084374482 431823947 /nfs/dbraw/zinc/82/39/47/431823947.db2.gz NFPNUVILFHOVDW-UHFFFAOYSA-N 0 3 300.402 3.096 50 0 DGAAHN CC(C)OC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000036096832 431835011 /nfs/dbraw/zinc/83/50/11/431835011.db2.gz NYSLKVSRLFZZOI-FQEVSTJZSA-N 0 3 313.441 3.475 50 0 DGAAHN Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000085387398 431839159 /nfs/dbraw/zinc/83/91/59/431839159.db2.gz VZEHTFKFVMELPT-BQFCYCMXSA-N 0 3 317.477 3.346 50 0 DGAAHN C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000048288924 431922506 /nfs/dbraw/zinc/92/25/06/431922506.db2.gz ZNWWVKUUXAAAMO-CRAIPNDOSA-N 0 3 318.436 3.091 50 0 DGAAHN c1nc(CC2CCCC2)[nH]c1CN1CCC[C@]2(CCOC2)C1 ZINC000095373623 431924331 /nfs/dbraw/zinc/92/43/31/431924331.db2.gz MYVIHWVPBPWIDQ-SFHVURJKSA-N 0 3 303.450 3.145 50 0 DGAAHN COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2ccc(F)cc2)c1 ZINC000095422672 431924696 /nfs/dbraw/zinc/92/46/96/431924696.db2.gz FWXFGNMKMLDFDO-XIKOKIGWSA-N 0 3 319.376 3.227 50 0 DGAAHN COc1ccc(Cl)cc1[C@H](C)NCCCN1CCCC1=O ZINC000089904572 431884638 /nfs/dbraw/zinc/88/46/38/431884638.db2.gz OOGAUZJMUVGHQL-LBPRGKRZSA-N 0 3 310.825 3.012 50 0 DGAAHN C[C@H]1C[C@@H](NCCn2cnnc2C2CC2)c2ccsc2S1 ZINC000090033990 431889071 /nfs/dbraw/zinc/88/90/71/431889071.db2.gz NWXLNTFTKUEBNG-GXFFZTMASA-N 0 3 320.487 3.432 50 0 DGAAHN CCc1nc(C)c([C@H](C)N[C@H]2CCN(c3ccccn3)C2)s1 ZINC000090801380 431895884 /nfs/dbraw/zinc/89/58/84/431895884.db2.gz UTFKZIWHNOIEDE-JSGCOSHPSA-N 0 3 316.474 3.338 50 0 DGAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cnc(CC2CCCC2)[nH]1 ZINC000097681723 431973385 /nfs/dbraw/zinc/97/33/85/431973385.db2.gz YWFKBJZNBXGHIK-UHFFFAOYSA-N 0 3 315.465 3.157 50 0 DGAAHN CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000095965553 431928793 /nfs/dbraw/zinc/92/87/93/431928793.db2.gz UMTRBIKZTWMGPA-XJKSGUPXSA-N 0 3 302.443 3.433 50 0 DGAAHN C[C@@H](NC[C@@]1(O)CCCc2ccccc21)c1cncc(F)c1 ZINC000095967850 431928940 /nfs/dbraw/zinc/92/89/40/431928940.db2.gz VUYCHCVDPUQMKS-ACJLOTCBSA-N 0 3 300.377 3.095 50 0 DGAAHN Cc1cc(C)n(-c2ccc(CCN[C@H](C)c3cnccn3)cc2)n1 ZINC000095967309 431929005 /nfs/dbraw/zinc/92/90/05/431929005.db2.gz UHAVRUVMICTWHA-MRXNPFEDSA-N 0 3 321.428 3.172 50 0 DGAAHN Cc1csc([C@@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 ZINC000095968562 431929916 /nfs/dbraw/zinc/92/99/16/431929916.db2.gz CNBTYXXSNPEGOC-RYUDHWBXSA-N 0 3 319.396 3.129 50 0 DGAAHN C[C@@H](N[C@@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095968490 431930108 /nfs/dbraw/zinc/93/01/08/431930108.db2.gz HHTLSUVGQNATNS-TZMCWYRMSA-N 0 3 302.349 3.453 50 0 DGAAHN Cc1csc([C@H](N[C@@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 ZINC000095968559 431930163 /nfs/dbraw/zinc/93/01/63/431930163.db2.gz CNBTYXXSNPEGOC-VXGBXAGGSA-N 0 3 319.396 3.129 50 0 DGAAHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 ZINC000095978200 431930511 /nfs/dbraw/zinc/93/05/11/431930511.db2.gz KXYJLFLMABIJNV-GUYCJALGSA-N 0 3 313.376 3.075 50 0 DGAAHN Cc1cc(C)n(-c2ccc(CNCc3ccc(C)cc3)cn2)n1 ZINC000048742482 431931326 /nfs/dbraw/zinc/93/13/26/431931326.db2.gz NRPCOFXJLSWDOV-UHFFFAOYSA-N 0 3 306.413 3.482 50 0 DGAAHN COc1ccc(CNCc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000048742392 431931433 /nfs/dbraw/zinc/93/14/33/431931433.db2.gz SMHPMVPGIGASAP-UHFFFAOYSA-N 0 3 322.412 3.183 50 0 DGAAHN C[C@@H](CS(C)(=O)=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000095985006 431931627 /nfs/dbraw/zinc/93/16/27/431931627.db2.gz QMGNNEWPOKDKFS-ZJUUUORDSA-N 0 3 324.273 3.120 50 0 DGAAHN CC(C)c1nn(C)cc1CNCc1ccc(Cn2ccnc2)cc1 ZINC000048711524 431931718 /nfs/dbraw/zinc/93/17/18/431931718.db2.gz VPIFPMYNELTSHH-UHFFFAOYSA-N 0 3 323.444 3.078 50 0 DGAAHN Cc1ccc([O-])c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000095982416 431931892 /nfs/dbraw/zinc/93/18/92/431931892.db2.gz OBQQZIXVGAMXNM-IBGZPJMESA-N 0 3 312.413 3.041 50 0 DGAAHN CCNC(=O)C(C)(C)CN[C@@H](C)c1cnc2ccsc2c1 ZINC000095991712 431932898 /nfs/dbraw/zinc/93/28/98/431932898.db2.gz KRZWADNRVCSOJO-NSHDSACASA-N 0 3 305.447 3.109 50 0 DGAAHN Cc1nc(-c2cccc3c2ccn3C)n(C2CCN(C)CC2)n1 ZINC000096163306 431940338 /nfs/dbraw/zinc/94/03/38/431940338.db2.gz OWTWPIGEZDFBHP-UHFFFAOYSA-N 0 3 309.417 3.012 50 0 DGAAHN Cc1ccc(C)c([C@H](C)NCC(=O)N(C)Cc2ccco2)c1 ZINC000049600815 431942688 /nfs/dbraw/zinc/94/26/88/431942688.db2.gz GEEYVTOVODOQAC-HNNXBMFYSA-N 0 3 300.402 3.206 50 0 DGAAHN Cc1ncsc1CCN(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424450 431947244 /nfs/dbraw/zinc/94/72/44/431947244.db2.gz RMCGUZCYGLZENF-INIZCTEOSA-N 0 3 320.433 3.331 50 0 DGAAHN Oc1cccc(CN(Cc2ccncc2)C2CCC(O)CC2)c1 ZINC000096424693 431947624 /nfs/dbraw/zinc/94/76/24/431947624.db2.gz UWRSVRDYGQUWNP-UHFFFAOYSA-N 0 3 312.413 3.093 50 0 DGAAHN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000096450627 431950679 /nfs/dbraw/zinc/95/06/79/431950679.db2.gz VULODGWEZDNSRM-HOTGVXAUSA-N 0 3 306.475 3.152 50 0 DGAAHN CC(C)C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000096476801 431952752 /nfs/dbraw/zinc/95/27/52/431952752.db2.gz INFSKTHEUGYCAY-HIFRSBDPSA-N 0 3 315.383 3.395 50 0 DGAAHN C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccco1 ZINC000096476463 431953005 /nfs/dbraw/zinc/95/30/05/431953005.db2.gz YMWPHQRZTBJWBT-RDJZCZTQSA-N 0 3 300.402 3.004 50 0 DGAAHN C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C ZINC000096493202 431954106 /nfs/dbraw/zinc/95/41/06/431954106.db2.gz SWFNMBMPDDAPNT-HZMBPMFUSA-N 0 3 314.351 3.223 50 0 DGAAHN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCC(=O)N(C)C3)oc21 ZINC000097034555 431956010 /nfs/dbraw/zinc/95/60/10/431956010.db2.gz IKAFQMADPHBLLB-TZMCWYRMSA-N 0 3 316.401 3.103 50 0 DGAAHN CCN1CCC[C@H]1CNC(=O)c1oc2ccc(F)cc2c1C ZINC000052819790 431958164 /nfs/dbraw/zinc/95/81/64/431958164.db2.gz VJFNZHGADGMRBC-ZDUSSCGKSA-N 0 3 304.365 3.094 50 0 DGAAHN Cn1cc(CNCCc2cscn2)c(C2CCCCC2)n1 ZINC000097086562 431960457 /nfs/dbraw/zinc/96/04/57/431960457.db2.gz PUFZWGDKEMQJOS-UHFFFAOYSA-N 0 3 304.463 3.257 50 0 DGAAHN c1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cs1 ZINC000097103459 431961040 /nfs/dbraw/zinc/96/10/40/431961040.db2.gz FDTKMWGZGAKDFS-CYBMUJFWSA-N 0 3 305.403 3.114 50 0 DGAAHN Cc1cc(CNCc2cn(C)nc2-c2cccnc2)ccc1F ZINC000097159766 431963298 /nfs/dbraw/zinc/96/32/98/431963298.db2.gz XYERGVOCQKZCFZ-UHFFFAOYSA-N 0 3 310.376 3.219 50 0 DGAAHN CC(C)(C)c1n[nH]cc1CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000097159136 431963401 /nfs/dbraw/zinc/96/34/01/431963401.db2.gz HTOCDZFKHHTWAH-HNNXBMFYSA-N 0 3 312.461 3.323 50 0 DGAAHN C[C@H](NCc1cnc2ccnn2c1)c1ccc2c(c1)CCCC2 ZINC000058342411 431996674 /nfs/dbraw/zinc/99/66/74/431996674.db2.gz YXBAZWCKEKKDCG-AWEZNQCLSA-N 0 3 306.413 3.459 50 0 DGAAHN Cc1ccsc1[C@H](CNc1ncnc2onc(C)c21)N(C)C ZINC000091551583 281510478 /nfs/dbraw/zinc/51/04/78/281510478.db2.gz PKVSUXLSJPEMLI-NSHDSACASA-N 0 3 317.418 3.011 50 0 DGAAHN C[C@@H](Cc1ccccn1)N(C)Cc1cc(-c2ccncc2)no1 ZINC000252483311 432377798 /nfs/dbraw/zinc/37/77/98/432377798.db2.gz DYWMHYPSWZNSSS-AWEZNQCLSA-N 0 3 308.385 3.195 50 0 DGAAHN O[C@H](c1ccccn1)C1CCN(CCCc2ccco2)CC1 ZINC000252482269 432378663 /nfs/dbraw/zinc/37/86/63/432378663.db2.gz DBXGNTUWDRLFCB-SFHVURJKSA-N 0 3 300.402 3.053 50 0 DGAAHN CSCC1CCN(C[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000252491506 432379592 /nfs/dbraw/zinc/37/95/92/432379592.db2.gz LNSSUYFBCUHBPV-INIZCTEOSA-N 0 3 304.459 3.255 50 0 DGAAHN CCOCc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000252517899 432382596 /nfs/dbraw/zinc/38/25/96/432382596.db2.gz UPIYNTCYTPKEOL-RHSMWYFYSA-N 0 3 319.449 3.027 50 0 DGAAHN Cc1ncc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)s1 ZINC000253425671 432396553 /nfs/dbraw/zinc/39/65/53/432396553.db2.gz VAUANDHOBHZRJB-CQSZACIVSA-N 0 3 313.426 3.076 50 0 DGAAHN Cc1csc(CN2CCC[C@]2(CO)Cc2ccccc2)n1 ZINC000253428955 432397371 /nfs/dbraw/zinc/39/73/71/432397371.db2.gz OBGZVBXIGSHGOO-QGZVFWFLSA-N 0 3 302.443 3.021 50 0 DGAAHN CC(C)N=c1ccccn1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000254423519 432403829 /nfs/dbraw/zinc/40/38/29/432403829.db2.gz PHGUXXWHNHUIJN-UHFFFAOYSA-N 0 3 323.440 3.082 50 0 DGAAHN CCN(CC)Cc1cccc(NC(=O)[C@H]2CSCCS2)c1 ZINC000192831784 432418880 /nfs/dbraw/zinc/41/88/80/432418880.db2.gz PQENSUJLAKSKSF-OAHLLOKOSA-N 0 3 324.515 3.316 50 0 DGAAHN CC(=O)N[C@H]1CCCN(Cc2ccc(-c3ccc(C)o3)cc2)C1 ZINC000216220483 432647064 /nfs/dbraw/zinc/64/70/64/432647064.db2.gz LPUCDUQLXPOTFJ-SFHVURJKSA-N 0 3 312.413 3.356 50 0 DGAAHN CCn1ccc2cc(CN(C)CCN3CCCCC3=O)ccc21 ZINC000216423532 432648803 /nfs/dbraw/zinc/64/88/03/432648803.db2.gz UJNCFVDJFSRFBB-UHFFFAOYSA-N 0 3 313.445 3.106 50 0 DGAAHN Cc1cc(Cl)ccc1CN1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000225613661 432694695 /nfs/dbraw/zinc/69/46/95/432694695.db2.gz URKBEPNAIQSCJM-HOCLYGCPSA-N 0 3 306.837 3.139 50 0 DGAAHN CC(C)(C)C(=O)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225688484 432696341 /nfs/dbraw/zinc/69/63/41/432696341.db2.gz DROAVWPLYUTSCT-UHFFFAOYSA-N 0 3 306.475 3.143 50 0 DGAAHN CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCC1 ZINC000073415463 288843164 /nfs/dbraw/zinc/84/31/64/288843164.db2.gz GHNOJRKNBCXUSN-QGZVFWFLSA-N 0 3 301.434 3.017 50 0 DGAAHN Fc1ccc(OCCN2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000342004078 433409655 /nfs/dbraw/zinc/40/96/55/433409655.db2.gz YHMAJDXWWBXHHC-MRXNPFEDSA-N 0 3 313.800 3.360 50 0 DGAAHN C[C@@H](NCc1ccc(-c2ncco2)cc1F)[C@H]1CCCOC1 ZINC000408520931 434588099 /nfs/dbraw/zinc/58/80/99/434588099.db2.gz BVLROYRECMPNKP-DOMZBBRYSA-N 0 3 304.365 3.385 50 0 DGAAHN CNC(=O)c1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc1C ZINC000585124220 435292752 /nfs/dbraw/zinc/29/27/52/435292752.db2.gz HFXSXAJJWOPBDQ-IFXJQAMLSA-N 0 3 324.424 3.071 50 0 DGAAHN C(=C\[C@@H]1CCCN1CCN1C[C@H]2CC[C@@H](C1)O2)\c1ccccc1 ZINC000542802405 314098848 /nfs/dbraw/zinc/09/88/48/314098848.db2.gz CRXVZMZLNHDRHT-KDWHXURISA-N 0 3 312.457 3.027 50 0 DGAAHN Fc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1-n1cncn1 ZINC000582341232 324217071 /nfs/dbraw/zinc/21/70/71/324217071.db2.gz XZPFMHJKCNCRNY-MAUKXSAKSA-N 0 3 312.392 3.027 50 0 DGAAHN CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1OC ZINC000004344213 331485855 /nfs/dbraw/zinc/48/58/55/331485855.db2.gz AFSVCZSMHGBXJK-UHFFFAOYSA-N 0 3 315.369 3.112 50 0 DGAAHN c1cnc2c(c1)cccc2OCCNC1CSCCSC1 ZINC000534592653 334294641 /nfs/dbraw/zinc/29/46/41/334294641.db2.gz NITOCCLWSMLGCN-UHFFFAOYSA-N 0 3 320.483 3.052 50 0 DGAAHN COc1ccc([C@H](C)NC2CSCCSC2)cc1F ZINC000534639473 334310543 /nfs/dbraw/zinc/31/05/43/334310543.db2.gz OOWAXRILBREVLJ-JTQLQIEISA-N 0 3 301.452 3.334 50 0 DGAAHN CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(Cl)o1 ZINC000084736345 545794378 /nfs/dbraw/zinc/79/43/78/545794378.db2.gz FKDNWEDGDOKBFT-JSGCOSHPSA-N 0 3 312.841 3.306 50 0 DGAAHN COc1ccccc1NC1CCN(C[C@H]2CCCCO2)CC1 ZINC000085905570 545800147 /nfs/dbraw/zinc/80/01/47/545800147.db2.gz YCOYMRPMALTUJO-MRXNPFEDSA-N 0 3 304.434 3.141 50 0 DGAAHN Cc1cn2c(CN3CCC[C@@H](c4cn[nH]c4)C3)c(C)nc2s1 ZINC000092810018 545851650 /nfs/dbraw/zinc/85/16/50/545851650.db2.gz DWIQQLQLIAPOAN-CYBMUJFWSA-N 0 3 315.446 3.115 50 0 DGAAHN CC(C)(CN1CC[C@H](c2ccccc2Cl)C1)N1CCOCC1 ZINC000214959683 546260836 /nfs/dbraw/zinc/26/08/36/546260836.db2.gz SFTWUIRBYNHCHA-HNNXBMFYSA-N 0 3 322.880 3.240 50 0 DGAAHN O=C(NCc1cc2ccccc2o1)C1(N2CCCC2)CCCC1 ZINC000670439157 547754631 /nfs/dbraw/zinc/75/46/31/547754631.db2.gz ZIRADZLJKADBER-UHFFFAOYSA-N 0 3 312.413 3.458 50 0 DGAAHN Cc1cccc(SC2CCN(C[C@@H]3CCC(=O)O3)CC2)c1 ZINC000670445931 547754885 /nfs/dbraw/zinc/75/48/85/547754885.db2.gz ACEKPFWORWIADS-AWEZNQCLSA-N 0 3 305.443 3.257 50 0 DGAAHN Cc1ncsc1CN(C)CCc1nc2c(cccc2C)[nH]1 ZINC000670466936 547758101 /nfs/dbraw/zinc/75/81/01/547758101.db2.gz KRGNCIOQEYYSKL-UHFFFAOYSA-N 0 3 300.431 3.311 50 0 DGAAHN Cc1ncsc1CN(C)CCc1nc2cccc(C)c2[nH]1 ZINC000670466936 547758105 /nfs/dbraw/zinc/75/81/05/547758105.db2.gz KRGNCIOQEYYSKL-UHFFFAOYSA-N 0 3 300.431 3.311 50 0 DGAAHN NC1(C(=O)NCC[C@@H](c2ccco2)c2ccccc2)CCCC1 ZINC000670468583 547758216 /nfs/dbraw/zinc/75/82/16/547758216.db2.gz DVUDJMBRRWECTR-MRXNPFEDSA-N 0 3 312.413 3.189 50 0 DGAAHN COc1ccc2[nH]c(CN3CC[C@@H](C(C)(C)O)C3)c(C)c2c1 ZINC000670469711 547759068 /nfs/dbraw/zinc/75/90/68/547759068.db2.gz LGKQIHRAZBKTCH-CYBMUJFWSA-N 0 3 302.418 3.078 50 0 DGAAHN CC[C@@H]1CC[C@@H](NCc2nnc3n2CCC[C@H]3C(F)(F)F)C1 ZINC000299754124 563938914 /nfs/dbraw/zinc/93/89/14/563938914.db2.gz WTLRNINHCAGIAS-IJLUTSLNSA-N 0 3 316.371 3.386 50 0 DGAAHN O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)NC1CCCC1 ZINC000104705613 627440902 /nfs/dbraw/zinc/44/09/02/627440902.db2.gz VOHWXHZNOLCVRU-GOSISDBHSA-N 0 3 304.409 3.315 50 0 DGAAHN Cc1ccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCCN24)o1 ZINC000012191860 660500244 /nfs/dbraw/zinc/50/02/44/660500244.db2.gz HLZUWTWMOBBKKL-QOKNQOGYSA-N 0 3 314.429 3.268 50 0 DGAAHN Cc1cccc(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)n1 ZINC000012320920 660529106 /nfs/dbraw/zinc/52/91/06/660529106.db2.gz BRHRRHBMXHJFSQ-QGZVFWFLSA-N 0 3 315.461 3.005 50 0 DGAAHN O=C(/C=C\c1ccco1)NC[C@H](c1cccs1)N1CCCC1 ZINC000098003956 656005497 /nfs/dbraw/zinc/00/54/97/656005497.db2.gz LUXZEXMUWCMMAZ-ZPIQOJFGSA-N 0 3 316.426 3.308 50 0 DGAAHN Cc1ccn(CCN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 ZINC000019795101 656066670 /nfs/dbraw/zinc/06/66/70/656066670.db2.gz WTTGVDMGLUCNAN-MRXNPFEDSA-N 0 3 313.380 3.044 50 0 DGAAHN CC(C)Oc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000171627465 659292387 /nfs/dbraw/zinc/29/23/87/659292387.db2.gz HKSIPMGGMXPYBW-UHFFFAOYSA-N 0 3 316.445 3.061 50 0 DGAAHN Cc1ccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)s1 ZINC000064031537 659436716 /nfs/dbraw/zinc/43/67/16/659436716.db2.gz BJPYOBPXKUMATP-CQSZACIVSA-N 0 3 302.447 3.080 50 0 DGAAHN O=C(NC[C@H]1CCN(Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000067850577 659928040 /nfs/dbraw/zinc/92/80/40/659928040.db2.gz PDWZQBRURBWODS-CQSZACIVSA-N 0 3 306.837 3.078 50 0 DGAAHN COCCN1CCC[C@H]1COC(=O)/C=C/c1ccc(Cl)cc1 ZINC000083902880 662197472 /nfs/dbraw/zinc/19/74/72/662197472.db2.gz GWKBDGDXAAQSLI-FSNWXROXSA-N 0 3 323.820 3.007 50 0 DGAAHN CC[C@H](NC(=O)CN1CCCCCC1)c1ccc(OC)cc1 ZINC000952962247 662208466 /nfs/dbraw/zinc/20/84/66/662208466.db2.gz BMEKADINTYOPEX-KRWDZBQOSA-N 0 3 304.434 3.139 50 0 DGAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000952972357 662209549 /nfs/dbraw/zinc/20/95/49/662209549.db2.gz SIDZIQOIDJUBCT-SFHVURJKSA-N 0 3 315.465 3.414 50 0 DGAAHN CCc1nc(CN2CCCC[C@@H]2CCc2cccc(O)c2)n[nH]1 ZINC001506398615 1186221437 /nfs/dbraw/zinc/22/14/37/1186221437.db2.gz NQWAIEXIZQGPHG-OAHLLOKOSA-N 0 3 314.433 3.060 50 0 DGAAHN Cc1ccc(NC(C)(C)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC001506399366 1186222226 /nfs/dbraw/zinc/22/22/26/1186222226.db2.gz MQLAKNWWFXGLIS-INIZCTEOSA-N 0 3 317.477 3.176 50 0 DGAAHN CSc1cccc(CN2CCC3(CC2)C[C@](C)(O)CCO3)c1 ZINC001704313678 1202520440 /nfs/dbraw/zinc/52/04/40/1202520440.db2.gz MZTWDLQMYKUZIC-QGZVFWFLSA-N 0 3 321.486 3.305 50 0 DGAAHN CCN1C[C@H](CN(C)c2ccnc3c(C)c(C)ccc23)CC1=O ZINC001704335500 1202521874 /nfs/dbraw/zinc/52/18/74/1202521874.db2.gz AZKZWVXHNPODGY-HNNXBMFYSA-N 0 3 311.429 3.156 50 0 DGAAHN CN(Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001704351999 1202522655 /nfs/dbraw/zinc/52/26/55/1202522655.db2.gz VDBKCMJEDCIKTC-LVYXFOGZSA-N 0 3 312.413 3.323 50 0 DGAAHN c1cc(-c2nc3ccccc3s2)oc1CNC[C@H]1COCO1 ZINC000585116688 1084691390 /nfs/dbraw/zinc/69/13/90/1084691390.db2.gz FTBMBKUZMHESSB-LBPRGKRZSA-N 0 3 316.382 3.019 50 0 DGAAHN CC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N(C)CC ZINC000822555726 1091665113 /nfs/dbraw/zinc/66/51/13/1091665113.db2.gz CZARUHJKQZOAMT-ZDUSSCGKSA-N 0 3 302.340 3.052 50 0 DGAAHN CC(C)n1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 ZINC000095479266 185373453 /nfs/dbraw/zinc/37/34/53/185373453.db2.gz KUULWKPQAXGQAA-KRWDZBQOSA-N 0 3 311.429 3.046 50 0 DGAAHN CCN1CCC[C@@H]1CNC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095506119 185375554 /nfs/dbraw/zinc/37/55/54/185375554.db2.gz MPRICOHNQRVUBU-LLVKDONJSA-N 0 3 313.804 3.393 50 0 DGAAHN CN(CCCNC(=O)/C=C\c1ccccc1)Cc1ccccc1 ZINC000096943914 185393505 /nfs/dbraw/zinc/39/35/05/185393505.db2.gz HNXYATUDISTCJK-YPKPFQOOSA-N 0 3 308.425 3.338 50 0 DGAAHN CCOCc1ccc(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000089988660 185274911 /nfs/dbraw/zinc/27/49/11/185274911.db2.gz UPIYNTCYTPKEOL-YOEHRIQHSA-N 0 3 319.449 3.027 50 0 DGAAHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(F)c1F ZINC000089949027 185271124 /nfs/dbraw/zinc/27/11/24/185271124.db2.gz MMJMPRCCRMWXRT-MLGOLLRUSA-N 0 3 322.399 3.092 50 0 DGAAHN COc1cc(CN[C@@H](CN(C)C)c2ccccc2)cc(OC)c1 ZINC000096971432 185394548 /nfs/dbraw/zinc/39/45/48/185394548.db2.gz AJPGNIGEUQHKEO-IBGZPJMESA-N 0 3 314.429 3.096 50 0 DGAAHN FC(F)COc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648478 185331186 /nfs/dbraw/zinc/33/11/86/185331186.db2.gz KFUZVQOUSMIICE-UHFFFAOYSA-N 0 3 321.371 3.364 50 0 DGAAHN c1ccc(C[C@H](NCc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000095419381 185359919 /nfs/dbraw/zinc/35/99/19/185359919.db2.gz RLJDOLBPQHYECT-KRWDZBQOSA-N 0 3 310.445 3.115 50 0 DGAAHN Cc1nc(C)c(C(=O)NC[C@H](C)c2nc3ccccc3s2)o1 ZINC000095427163 185361895 /nfs/dbraw/zinc/36/18/95/185361895.db2.gz URRKYCUGFQCQGG-VIFPVBQESA-N 0 3 315.398 3.435 50 0 DGAAHN CNCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000095427855 185362174 /nfs/dbraw/zinc/36/21/74/185362174.db2.gz JLHGIQTYOUNHNM-LSDHHAIUSA-N 0 3 316.351 3.426 50 0 DGAAHN Cc1cccn2c(CN[C@@H](C)C[C@@H](O)c3ccccc3)cnc12 ZINC000095448815 185368469 /nfs/dbraw/zinc/36/84/69/185368469.db2.gz NXWDYXDPSSRCGI-MAUKXSAKSA-N 0 3 309.413 3.245 50 0 DGAAHN Fc1cc(N2CC[C@H](NCc3cccnc3)C2)ccc1Cl ZINC000095448952 185368518 /nfs/dbraw/zinc/36/85/18/185368518.db2.gz VERXKYXBUGDZCL-ZDUSSCGKSA-N 0 3 305.784 3.243 50 0 DGAAHN O=C(Nc1ccc2c(c1)CNCC2)c1cccc(F)c1Cl ZINC000097019359 185398000 /nfs/dbraw/zinc/39/80/00/185398000.db2.gz GMDKXTDAJZFAJJ-UHFFFAOYSA-N 0 3 304.752 3.377 50 0 DGAAHN CCSc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000104171261 432014972 /nfs/dbraw/zinc/01/49/72/432014972.db2.gz REHQPCAIYZLMDU-HNNXBMFYSA-N 0 3 317.458 3.277 50 0 DGAAHN CC[C@@H]1CN(Cc2ccnn2-c2ccccc2)CCN1C(C)C ZINC000072143928 191050730 /nfs/dbraw/zinc/05/07/30/191050730.db2.gz BCQJQCLKWLCLQD-QGZVFWFLSA-N 0 3 312.461 3.177 50 0 DGAAHN CC[C@H]1CN(Cc2cnc(-c3ccco3)nc2)CCN1C(C)C ZINC000072147227 191052462 /nfs/dbraw/zinc/05/24/62/191052462.db2.gz DOSLLJBLEAUGFF-INIZCTEOSA-N 0 3 314.433 3.041 50 0 DGAAHN c1ccc2[nH]c(C[C@@H]3CCCN(Cc4ccncc4)C3)nc2c1 ZINC000072149276 191054501 /nfs/dbraw/zinc/05/45/01/191054501.db2.gz UCPZWKRYGBFHAU-INIZCTEOSA-N 0 3 306.413 3.413 50 0 DGAAHN CN(Cc1cccc(OCCO)c1)Cc1cccc2ncccc12 ZINC000072151872 191055788 /nfs/dbraw/zinc/05/57/88/191055788.db2.gz CCFSVZZAFRQKSP-UHFFFAOYSA-N 0 3 322.408 3.238 50 0 DGAAHN O=C(Cc1ccccc1)[C@@H]1CCCN(CCc2ccccn2)C1 ZINC000072154998 191058855 /nfs/dbraw/zinc/05/88/55/191058855.db2.gz ADIVSKUEMRIXSH-GOSISDBHSA-N 0 3 308.425 3.148 50 0 DGAAHN CN(C)CCNc1cc(-c2ncccc2Cl)c2cc[nH]c2n1 ZINC000072167723 191067370 /nfs/dbraw/zinc/06/73/70/191067370.db2.gz NIYUZCHLMGIRRQ-UHFFFAOYSA-N 0 3 315.808 3.252 50 0 DGAAHN COc1ccc(OC[C@@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000072171296 191069987 /nfs/dbraw/zinc/06/99/87/191069987.db2.gz BBHMLMFCWIFZDW-QGZVFWFLSA-N 0 3 312.413 3.381 50 0 DGAAHN CCn1ncc2c1CCC[C@H]2NCC1=Cc2ccccc2OC1 ZINC000072298476 191113010 /nfs/dbraw/zinc/11/30/10/191113010.db2.gz VCTMKFUDNBOUGR-QGZVFWFLSA-N 0 3 309.413 3.346 50 0 DGAAHN CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N2CCCCCC2)C12CCCC2 ZINC000106920548 432025511 /nfs/dbraw/zinc/02/55/11/432025511.db2.gz NZFXPUOGANSHAT-YESZJQIVSA-N 0 3 322.493 3.105 50 0 DGAAHN Cc1cc2nc(C(C)C)cc(NCCN3CCCC[C@@H]3C)n2n1 ZINC000072406817 191152793 /nfs/dbraw/zinc/15/27/93/191152793.db2.gz AKYAFULXBZIRFI-HNNXBMFYSA-N 0 3 315.465 3.447 50 0 DGAAHN Cc1[nH]cnc1-c1nccn1CCCc1nc2ccc(F)cc2[nH]1 ZINC000072417787 191156089 /nfs/dbraw/zinc/15/60/89/191156089.db2.gz YJXPVDKJMSUMSH-UHFFFAOYSA-N 0 3 324.363 3.230 50 0 DGAAHN Cc1ccc2[nH]c(CNC[C@@H](C)Oc3cccnc3)nc2c1C ZINC000067446926 432030745 /nfs/dbraw/zinc/03/07/45/432030745.db2.gz POUQOHNQRBCMKB-CYBMUJFWSA-N 0 3 310.401 3.132 50 0 DGAAHN Cc1ccc2nc(CNC[C@@H](C)Oc3cccnc3)[nH]c2c1C ZINC000067446926 432030747 /nfs/dbraw/zinc/03/07/47/432030747.db2.gz POUQOHNQRBCMKB-CYBMUJFWSA-N 0 3 310.401 3.132 50 0 DGAAHN Cc1ccc2[nH]c(CNC[C@H](C)Oc3cccnc3)nc2c1C ZINC000067446927 432030956 /nfs/dbraw/zinc/03/09/56/432030956.db2.gz POUQOHNQRBCMKB-ZDUSSCGKSA-N 0 3 310.401 3.132 50 0 DGAAHN Cc1ccc2nc(CNC[C@H](C)Oc3cccnc3)[nH]c2c1C ZINC000067446927 432030957 /nfs/dbraw/zinc/03/09/57/432030957.db2.gz POUQOHNQRBCMKB-ZDUSSCGKSA-N 0 3 310.401 3.132 50 0 DGAAHN CCN(CC)CCC(=O)c1c(C)nn2c3ccccc3n(C)c12 ZINC000004116270 181075289 /nfs/dbraw/zinc/07/52/89/181075289.db2.gz LOEBGWTWYQCGEW-UHFFFAOYSA-N 0 3 312.417 3.049 50 0 DGAAHN C[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC2)c1ccccc1 ZINC000004263204 181089060 /nfs/dbraw/zinc/08/90/60/181089060.db2.gz BPKGMOLMHLPQOF-HNAYVOBHSA-N 0 3 311.425 3.266 50 0 DGAAHN Cc1ccc(Cc2cnc(N3C(=N)SC(C)C3=O)s2)cc1 ZINC000004384920 181104855 /nfs/dbraw/zinc/10/48/55/181104855.db2.gz RSAOXLOEGBLZFW-JTQLQIEISA-N 0 3 317.439 3.445 50 0 DGAAHN CC(C)=CC(=O)NCC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000067821162 432042136 /nfs/dbraw/zinc/04/21/36/432042136.db2.gz HFXQQNBKOMFXAZ-ZDUSSCGKSA-N 0 3 306.372 3.123 50 0 DGAAHN CC(=O)c1ccccc1OCCOCCN1CCC[C@H](C)C1 ZINC000004868852 181166503 /nfs/dbraw/zinc/16/65/03/181166503.db2.gz MNXAAPKKJAHERF-HNNXBMFYSA-N 0 3 305.418 3.017 50 0 DGAAHN CCc1nc(C)sc1CN[C@H]1CCN(Cc2ccccc2)C1 ZINC000067884223 432045222 /nfs/dbraw/zinc/04/52/22/432045222.db2.gz REQZVZHONJJQCO-INIZCTEOSA-N 0 3 315.486 3.378 50 0 DGAAHN CSc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000081053101 192220296 /nfs/dbraw/zinc/22/02/96/192220296.db2.gz RANJRSQPDPEOPS-UONOGXRCSA-N 0 3 305.447 3.109 50 0 DGAAHN Cc1cccc(OCC(=O)OCCN(C)Cc2ccccc2)c1 ZINC000005796103 181284994 /nfs/dbraw/zinc/28/49/94/181284994.db2.gz QKCGPPYQFDHMKR-UHFFFAOYSA-N 0 3 313.397 3.049 50 0 DGAAHN C[C@@H]1CN(CCN2CCC(CCc3ccccc3)CC2)CCO1 ZINC000170607358 432074068 /nfs/dbraw/zinc/07/40/68/432074068.db2.gz FNVCYYJVNBETEV-GOSISDBHSA-N 0 3 316.489 3.052 50 0 DGAAHN Cc1nn(-c2ccccc2)cc1CN1CCC[C@H]1Cn1ccnc1 ZINC000188409469 200240915 /nfs/dbraw/zinc/24/09/15/200240915.db2.gz OGOWBORSPNYYBX-IBGZPJMESA-N 0 3 321.428 3.042 50 0 DGAAHN Cc1cc(NC2CCOCC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000188701672 200291030 /nfs/dbraw/zinc/29/10/30/200291030.db2.gz NWBVZGMVKKGSSH-UHFFFAOYSA-N 0 3 317.477 3.116 50 0 DGAAHN Cc1nc2c(s1)[C@H](NC[C@@](C)(O)c1ccc(F)cc1)CCC2 ZINC000090891121 192942051 /nfs/dbraw/zinc/94/20/51/192942051.db2.gz GTZXKYHIVIGPQP-RHSMWYFYSA-N 0 3 320.433 3.465 50 0 DGAAHN CCOC(=O)[C@@H]1CCCN(CCSc2ccc(C)cc2)C1 ZINC000006703271 181374191 /nfs/dbraw/zinc/37/41/91/181374191.db2.gz NCLDUOJVQKYKQU-OAHLLOKOSA-N 0 3 307.459 3.362 50 0 DGAAHN CCOC(=O)[C@H]1CCCN(CCCOc2ccccc2C)C1 ZINC000006702129 181373597 /nfs/dbraw/zinc/37/35/97/181373597.db2.gz GVQSISXOUIWZQB-INIZCTEOSA-N 0 3 305.418 3.039 50 0 DGAAHN CC(C)(CO)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000006703399 181374468 /nfs/dbraw/zinc/37/44/68/181374468.db2.gz HBAUYTXHWVBYLS-UHFFFAOYSA-N 0 3 303.377 3.265 50 0 DGAAHN CC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cccnc1 ZINC000091365245 193046102 /nfs/dbraw/zinc/04/61/02/193046102.db2.gz AHTIYBMYOMRPIV-INIZCTEOSA-N 0 3 311.360 3.303 50 0 DGAAHN C[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[C@]1(C)O ZINC000091657048 193085510 /nfs/dbraw/zinc/08/55/10/193085510.db2.gz LQHZZYUGAOYSFC-DYVFJYSZSA-N 0 3 319.836 3.119 50 0 DGAAHN COCC[C@]1(O)CCN(Cc2cccc(SC)c2)C[C@H]1C ZINC000091656866 193085630 /nfs/dbraw/zinc/08/56/30/193085630.db2.gz CUGNVTIWSMCJAD-RHSMWYFYSA-N 0 3 309.475 3.018 50 0 DGAAHN N[C@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1c1ccccc1 ZINC000091987055 193136895 /nfs/dbraw/zinc/13/68/95/193136895.db2.gz NHSCMTJFHUWYBM-SJORKVTESA-N 0 3 314.454 3.024 50 0 DGAAHN Fc1ccc(/C=C/CN2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000093011952 193193807 /nfs/dbraw/zinc/19/38/07/193193807.db2.gz BASBQOJTUQHKLP-GNAXCBTBSA-N 0 3 318.436 3.026 50 0 DGAAHN CCOC(=O)N1CCC(N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000096494303 193670034 /nfs/dbraw/zinc/67/00/34/193670034.db2.gz UEOXPINBDUPVTO-AWEZNQCLSA-N 0 3 323.462 3.113 50 0 DGAAHN CC(C)[C@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000016695463 182057977 /nfs/dbraw/zinc/05/79/77/182057977.db2.gz QVCGUUPUKLDRIL-KRWDZBQOSA-N 0 3 304.365 3.022 50 0 DGAAHN COc1cccc(CN2CCN(C3CCC(C)CC3)CC2)c1 ZINC000019913663 182163589 /nfs/dbraw/zinc/16/35/89/182163589.db2.gz XZYXVWZBMLQMKD-UHFFFAOYSA-N 0 3 302.462 3.392 50 0 DGAAHN CCc1ccc(OCCCCCCN2CCN(C)CC2)cc1 ZINC000020033155 182182344 /nfs/dbraw/zinc/18/23/44/182182344.db2.gz DANWSXFTBJARFL-UHFFFAOYSA-N 0 3 304.478 3.436 50 0 DGAAHN CC(C)c1csc(C(=O)N2CCCC[C@H]2CN2CCCC2)n1 ZINC000020166326 182194208 /nfs/dbraw/zinc/19/42/08/182194208.db2.gz ONILVRUXKXPFQE-AWEZNQCLSA-N 0 3 321.490 3.357 50 0 DGAAHN CCN1CCN(CCCCOc2cc(C)cc(C)c2C)CC1 ZINC000020390358 182213552 /nfs/dbraw/zinc/21/35/52/182213552.db2.gz VMDVTNXBPCLYSH-UHFFFAOYSA-N 0 3 304.478 3.408 50 0 DGAAHN CC(C)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000020719543 182243691 /nfs/dbraw/zinc/24/36/91/182243691.db2.gz TVLJUEIXXXYHHR-UHFFFAOYSA-N 0 3 308.425 3.232 50 0 DGAAHN OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccs1 ZINC000020918258 182253706 /nfs/dbraw/zinc/25/37/06/182253706.db2.gz NYYMKLCDRXYNCF-KRWDZBQOSA-N 0 3 322.518 3.197 50 0 DGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)o1 ZINC000022464321 182322736 /nfs/dbraw/zinc/32/27/36/182322736.db2.gz OGNINUULURUOPV-AWEZNQCLSA-N 0 3 318.804 3.500 50 0 DGAAHN CC[C@@H]1c2ccsc2CCN1C[C@H](O)COCc1ccco1 ZINC000040007539 183027219 /nfs/dbraw/zinc/02/72/19/183027219.db2.gz LEUHXAYTWNNPRS-XJKSGUPXSA-N 0 3 321.442 3.228 50 0 DGAAHN COc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1 ZINC000039279939 183015615 /nfs/dbraw/zinc/01/56/15/183015615.db2.gz UPZSJPYZHASUHV-UHFFFAOYSA-N 0 3 314.216 3.378 50 0 DGAAHN CSc1ccccc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1 ZINC000040107572 183036081 /nfs/dbraw/zinc/03/60/81/183036081.db2.gz MJKYGBUBLWJEDC-OKILXGFUSA-N 0 3 306.475 3.116 50 0 DGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccncc1 ZINC000054219193 183929314 /nfs/dbraw/zinc/92/93/14/183929314.db2.gz SAOOYZODHNZQSY-AWEZNQCLSA-N 0 3 316.430 3.102 50 0 DGAAHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000058193226 184086635 /nfs/dbraw/zinc/08/66/35/184086635.db2.gz RGQKLYKPHXWULL-OAHLLOKOSA-N 0 3 314.454 3.390 50 0 DGAAHN Brc1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000058405701 184113908 /nfs/dbraw/zinc/11/39/08/184113908.db2.gz KLPDGBNGHWWRPP-UHFFFAOYSA-N 0 3 309.251 3.119 50 0 DGAAHN O=C1CCCN1C[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000065394032 184334779 /nfs/dbraw/zinc/33/47/79/184334779.db2.gz UJTTYPDCZUCRJZ-HNNXBMFYSA-N 0 3 312.413 3.267 50 0 DGAAHN Cc1cc(C)n([C@@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 ZINC000065422139 184342066 /nfs/dbraw/zinc/34/20/66/184342066.db2.gz FCOYAFLDMBRDJL-GOSISDBHSA-N 0 3 306.413 3.495 50 0 DGAAHN Cc1cccc(OCCCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000065538951 184363342 /nfs/dbraw/zinc/36/33/42/184363342.db2.gz YCGWSMBUODOKPX-BBWFWOEESA-N 0 3 318.461 3.141 50 0 DGAAHN Cc1nccn1-c1cncc(-c2cccc(OCCN(C)C)c2)c1 ZINC000521398330 257234862 /nfs/dbraw/zinc/23/48/62/257234862.db2.gz OQNWCUDDVHCUDS-UHFFFAOYSA-N 0 3 322.412 3.183 50 0 DGAAHN CN(C)Cc1ccccc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000368277738 257242150 /nfs/dbraw/zinc/24/21/50/257242150.db2.gz UOGYUZBFSODYRA-GOSISDBHSA-N 0 3 324.424 3.042 50 0 DGAAHN C/C=C1\CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000045229185 257269914 /nfs/dbraw/zinc/26/99/14/257269914.db2.gz VBKQRUUVDAWDIP-JPRQZJFESA-N 0 3 310.397 3.014 50 0 DGAAHN Cc1[nH]ccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000075105094 257271189 /nfs/dbraw/zinc/27/11/89/257271189.db2.gz QGJNVDQHOKYHSW-AWEZNQCLSA-N 0 3 317.458 3.027 50 0 DGAAHN C[C@H](NC[C@H]1CCC[C@@H]1O)c1nc2cc(Cl)ccc2n1C ZINC000091349004 545836991 /nfs/dbraw/zinc/83/69/91/545836991.db2.gz FBGVKAKTBFMQSU-RWSFTLGLSA-N 0 3 307.825 3.038 50 0 DGAAHN C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000090914404 400082308 /nfs/dbraw/zinc/08/23/08/400082308.db2.gz RJKKNJYGGPSMDZ-QGTPRVQTSA-N 0 3 316.470 3.034 50 0 DGAAHN Cc1nccn1CC[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000584900534 400123215 /nfs/dbraw/zinc/12/32/15/400123215.db2.gz BURZDGCSTSVMFM-KRWDZBQOSA-N 0 3 312.461 3.101 50 0 DGAAHN Cc1ccc(CN2CCC(CNC(=O)C[C@@H]3C=CCC3)CC2)o1 ZINC000584897620 400123330 /nfs/dbraw/zinc/12/33/30/400123330.db2.gz PPMJEBGIFKWQJA-MRXNPFEDSA-N 0 3 316.445 3.273 50 0 DGAAHN Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)s1 ZINC000025552998 400239212 /nfs/dbraw/zinc/23/92/12/400239212.db2.gz VCXPLKXZDSSLFF-UHFFFAOYSA-N 0 3 302.443 3.308 50 0 DGAAHN C[C@@H](CN1CCC(n2cncn2)CC1)c1cccc(Cl)c1 ZINC000097103862 400283082 /nfs/dbraw/zinc/28/30/82/400283082.db2.gz KNOCYDKTFAMGOB-ZDUSSCGKSA-N 0 3 304.825 3.372 50 0 DGAAHN CSCc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1 ZINC000106779044 400331230 /nfs/dbraw/zinc/33/12/30/400331230.db2.gz XWRYPKRUCXHHBA-DLBZAZTESA-N 0 3 318.486 3.248 50 0 DGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C ZINC000106778991 400331511 /nfs/dbraw/zinc/33/15/11/400331511.db2.gz FYPVPNGQKGWZRX-LSDHHAIUSA-N 0 3 322.836 3.047 50 0 DGAAHN CN(C[C@H]1CCN(C)C1)C(=O)c1sccc1SC(F)F ZINC000072271273 400376842 /nfs/dbraw/zinc/37/68/42/400376842.db2.gz ADQOYTBRTBGIEW-VIFPVBQESA-N 0 3 320.430 3.087 50 0 DGAAHN C[C@H](Cc1ccsc1)N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000170682423 400769318 /nfs/dbraw/zinc/76/93/18/400769318.db2.gz MAMJAYFPGXUMIL-CJNGLKHVSA-N 0 3 302.443 3.228 50 0 DGAAHN Cc1ccc(NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000078806273 400827027 /nfs/dbraw/zinc/82/70/27/400827027.db2.gz CMJKVLSFQJXDRP-CQSZACIVSA-N 0 3 307.825 3.349 50 0 DGAAHN CCC[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccnc1 ZINC000195561699 400925305 /nfs/dbraw/zinc/92/53/05/400925305.db2.gz PTPMGIIDPCEQOV-ZWKOTPCHSA-N 0 3 315.461 3.304 50 0 DGAAHN CC(C)Oc1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066159631 401294035 /nfs/dbraw/zinc/29/40/35/401294035.db2.gz RNBOOECQCVLRET-OAHLLOKOSA-N 0 3 317.433 3.176 50 0 DGAAHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(C)CC1 ZINC000071376526 292336266 /nfs/dbraw/zinc/33/62/66/292336266.db2.gz SSDOPZRMMYGFAY-MRXNPFEDSA-N 0 3 316.445 3.055 50 0 DGAAHN Cc1cc(Cl)ccc1CN1CCC(CC(=O)N(C)C)CC1 ZINC000136899038 196557002 /nfs/dbraw/zinc/55/70/02/196557002.db2.gz FLHCGTXVYIVHKQ-UHFFFAOYSA-N 0 3 308.853 3.339 50 0 DGAAHN CC(=O)Nc1ccc(CCNCc2ccc(F)cc2F)cc1 ZINC000078411696 262500818 /nfs/dbraw/zinc/50/08/18/262500818.db2.gz NOMYWSWQLGJYEA-UHFFFAOYSA-N 0 3 304.340 3.256 50 0 DGAAHN CCCN(CCN1CCCCCC1)C(=O)c1ccc(C)nc1C ZINC000346234120 263992138 /nfs/dbraw/zinc/99/21/38/263992138.db2.gz JNZCXNFJBMYMGB-UHFFFAOYSA-N 0 3 317.477 3.427 50 0 DGAAHN Cc1ccc2nc(C)c(C)c(C(=O)N3[C@@H]4CC[C@H]3CNCC4)c2c1 ZINC000095506801 274783756 /nfs/dbraw/zinc/78/37/56/274783756.db2.gz NRTNHOLPBMJASB-CVEARBPZSA-N 0 3 323.440 3.127 50 0 DGAAHN O=C1Nc2ccccc2[C@@H]1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000009041425 275026116 /nfs/dbraw/zinc/02/61/16/275026116.db2.gz YGURMDITZSVQME-SJLPKXTDSA-N 0 3 303.365 3.091 50 0 biogenic DGAAHN O=C1OCCN1CCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000067962643 275026618 /nfs/dbraw/zinc/02/66/18/275026618.db2.gz BBDKLKDHBCKXJA-IBGZPJMESA-N 0 3 322.408 3.086 50 0 DGAAHN CCN1CCC[C@@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000534581052 430162016 /nfs/dbraw/zinc/16/20/16/430162016.db2.gz KRQVANSLTHWEAA-OAHLLOKOSA-N 0 3 300.381 3.179 50 0 DGAAHN CSCC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000077520172 277508362 /nfs/dbraw/zinc/50/83/62/277508362.db2.gz CRUPKAYWUYGJMF-INIZCTEOSA-N 0 3 306.475 3.165 50 0 DGAAHN Cc1ccc(-c2csc3ncnc(N4CCNCC4)c23)cc1 ZINC000000066599 431117361 /nfs/dbraw/zinc/11/73/61/431117361.db2.gz OVBQNKKPEBKJHD-UHFFFAOYSA-N 0 3 310.426 3.076 50 0 DGAAHN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1 ZINC000000084270 431122247 /nfs/dbraw/zinc/12/22/47/431122247.db2.gz DAWDIPGGTKWCSN-UHFFFAOYSA-N 0 3 321.380 3.099 50 0 DGAAHN Cc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000000317572 431166318 /nfs/dbraw/zinc/16/63/18/431166318.db2.gz JJLDYVZWOAOWPK-QGZVFWFLSA-N 0 3 314.473 3.466 50 0 DGAAHN COc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000000355280 431171394 /nfs/dbraw/zinc/17/13/94/431171394.db2.gz CRNCWJOFKGJZRW-DOTOQJQBSA-N 0 3 316.445 3.032 50 0 DGAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000069455669 431188830 /nfs/dbraw/zinc/18/88/30/431188830.db2.gz YHKWPELUJJITLL-CABCVRRESA-N 0 3 304.459 3.324 50 0 DGAAHN Cc1sc(C)c([C@@H]2C=CNC=N2)c1I ZINC000000480762 431190208 /nfs/dbraw/zinc/19/02/08/431190208.db2.gz MODBQEYIHCDMET-QMMMGPOBSA-N 0 3 318.183 3.156 50 0 DGAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000000507518 431194375 /nfs/dbraw/zinc/19/43/75/431194375.db2.gz USPYSSDFDADJTF-INIZCTEOSA-N 0 3 323.396 3.245 50 0 DGAAHN CC1CCC(N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000000239041 431151867 /nfs/dbraw/zinc/15/18/67/431151867.db2.gz XMTOGKSMJWGZLW-UHFFFAOYSA-N 0 3 304.409 3.162 50 0 DGAAHN C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000000239733 431151897 /nfs/dbraw/zinc/15/18/97/431151897.db2.gz LJHBSECKCFHWQS-RHSMWYFYSA-N 0 3 304.409 3.162 50 0 DGAAHN C[C@H]1CCC[C@@H](N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000000283510 431159421 /nfs/dbraw/zinc/15/94/21/431159421.db2.gz DPHZTCZRKHWRBE-WMLDXEAASA-N 0 3 304.409 3.162 50 0 DGAAHN C[C@H](SC(F)(F)F)C(=O)Nc1ccccc1CN(C)C ZINC000040514138 279589986 /nfs/dbraw/zinc/58/99/86/279589986.db2.gz QSXBLLIJUIHHOE-VIFPVBQESA-N 0 3 306.353 3.328 50 0 DGAAHN Fc1cc2cccnc2c(CN2CCC[C@H]2Cn2cccn2)c1 ZINC000071875657 431304584 /nfs/dbraw/zinc/30/45/84/431304584.db2.gz QIVUCWGKSHKMFA-KRWDZBQOSA-N 0 3 310.376 3.235 50 0 DGAAHN Cc1ccc(NC(=O)COCc2ccccc2)c(CN(C)C)c1 ZINC000071905241 431312497 /nfs/dbraw/zinc/31/24/97/431312497.db2.gz KQKRMUPUCMIGJE-UHFFFAOYSA-N 0 3 312.413 3.212 50 0 DGAAHN COc1ccc(C)cc1NC(=O)CCN(C)Cc1ccccc1 ZINC000002760694 431267758 /nfs/dbraw/zinc/26/77/58/431267758.db2.gz YBYGPYAEUAYTTR-UHFFFAOYSA-N 0 3 312.413 3.464 50 0 DGAAHN CN(C)CCOCCOc1cccc(Oc2ccccc2)c1 ZINC000002824037 431273344 /nfs/dbraw/zinc/27/33/44/431273344.db2.gz SXZREWFYACWZPM-UHFFFAOYSA-N 0 3 301.386 3.436 50 0 DGAAHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccncc1 ZINC000071921038 431317897 /nfs/dbraw/zinc/31/78/97/431317897.db2.gz AIRPCBGRWJMIRK-INIZCTEOSA-N 0 3 324.428 3.210 50 0 DGAAHN Cc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1C(C)C ZINC000007030697 431329782 /nfs/dbraw/zinc/32/97/82/431329782.db2.gz DPLLSFBPKSKGFI-MRXNPFEDSA-N 0 3 322.416 3.132 50 0 DGAAHN CC(C)NC(=O)CN1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072152855 431331731 /nfs/dbraw/zinc/33/17/31/431331731.db2.gz JHCAGVRDYDBVLG-AWEZNQCLSA-N 0 3 324.415 3.134 50 0 DGAAHN C/C(=C\c1ccccc1)[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007125581 431335471 /nfs/dbraw/zinc/33/54/71/431335471.db2.gz YSUVMVPFDVAORU-LPQFERQCSA-N 0 3 303.369 3.188 50 0 DGAAHN CCN1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC000009157342 431424382 /nfs/dbraw/zinc/42/43/82/431424382.db2.gz PBAMKAAPIOCWIF-MRXNPFEDSA-N 0 3 313.445 3.123 50 0 DGAAHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000007982589 431375016 /nfs/dbraw/zinc/37/50/16/431375016.db2.gz ZCGHUNPTPRYNGB-UHFFFAOYSA-N 0 3 315.392 3.421 50 0 DGAAHN Cc1ccc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cc(=O)n2c1 ZINC000008266472 431391464 /nfs/dbraw/zinc/39/14/64/431391464.db2.gz ZDBMWOCLZKODTH-HZPDHXFCSA-N 0 3 311.429 3.015 50 0 DGAAHN C[C@@H](Nc1ccncc1NC(=O)c1ccsc1)[C@H]1CCCO1 ZINC000075141632 431456841 /nfs/dbraw/zinc/45/68/41/431456841.db2.gz BAFWQDYIKFDVEC-IAQYHMDHSA-N 0 3 317.414 3.375 50 0 DGAAHN CN(C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000010328146 431461670 /nfs/dbraw/zinc/46/16/70/431461670.db2.gz TWZLGCXKBMMSNS-MRXNPFEDSA-N 0 3 302.805 3.373 50 0 DGAAHN COc1ccc(CNCc2c[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000012538768 431512577 /nfs/dbraw/zinc/51/25/77/431512577.db2.gz YCMNPZCXZSZBSO-UHFFFAOYSA-N 0 3 323.396 3.384 50 0 DGAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 ZINC000012945601 431538909 /nfs/dbraw/zinc/53/89/09/431538909.db2.gz TVDNNBUOBUZMJY-NHYWBVRUSA-N 0 3 315.804 3.339 50 0 DGAAHN O[C@@H](CNCc1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000013731635 431565979 /nfs/dbraw/zinc/56/59/79/431565979.db2.gz PKELWPLYUJVFEW-SFHVURJKSA-N 0 3 321.380 3.092 50 0 DGAAHN Clc1ccc(CCCN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000077247338 431575519 /nfs/dbraw/zinc/57/55/19/431575519.db2.gz XMXKIDPWVYESEK-SFHVURJKSA-N 0 3 322.880 3.069 50 0 DGAAHN CCCCN1C[C@]2(CCCN(Cc3cccnc3)C2)CCC1=O ZINC000077406840 431590498 /nfs/dbraw/zinc/59/04/98/431590498.db2.gz LXHGLIUEVABCQI-LJQANCHMSA-N 0 3 315.461 3.086 50 0 DGAAHN CN(C)C(=O)CCN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025946057 431669628 /nfs/dbraw/zinc/66/96/28/431669628.db2.gz HIKLHVBPLMHWTC-SFHVURJKSA-N 0 3 314.454 3.174 50 0 DGAAHN NCC[S@@](=O)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000026422235 431675637 /nfs/dbraw/zinc/67/56/37/431675637.db2.gz XXJHHCFFJKWMKZ-NRFANRHFSA-N 0 3 302.374 3.040 50 0 DGAAHN CC(=O)c1c(C)cc(C)c(CN2CCC3(CC2)OCCO3)c1C ZINC000026934214 431680650 /nfs/dbraw/zinc/68/06/50/431680650.db2.gz FJYZUTSRBVXHIO-UHFFFAOYSA-N 0 3 317.429 3.153 50 0 DGAAHN CC(C)c1nn(C)cc1CNCc1ccccc1-n1ccnc1 ZINC000078612755 431688495 /nfs/dbraw/zinc/68/84/95/431688495.db2.gz NPCPQMLRVAOHDS-UHFFFAOYSA-N 0 3 309.417 3.019 50 0 DGAAHN CCCN(CCC)C(=O)CN1CCCC[C@H](SCC)C1 ZINC000078650649 431689959 /nfs/dbraw/zinc/68/99/59/431689959.db2.gz PMZXWNSHEIOGGQ-HNNXBMFYSA-N 0 3 300.512 3.243 50 0 DGAAHN Cc1cccc(C)c1OCCCN1CCCC[C@@H]1C1OCCO1 ZINC000078674139 431692634 /nfs/dbraw/zinc/69/26/34/431692634.db2.gz WYZJIDHTMBAFQK-QGZVFWFLSA-N 0 3 319.445 3.300 50 0 DGAAHN CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1CCCc2ccccc21 ZINC000027906411 431696788 /nfs/dbraw/zinc/69/67/88/431696788.db2.gz DMZBMWUFDRSGIQ-GOSISDBHSA-N 0 3 319.408 3.204 50 0 DGAAHN CN(C)C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000028317146 431705042 /nfs/dbraw/zinc/70/50/42/431705042.db2.gz FNNWVDKWZQSCOX-FQEVSTJZSA-N 0 3 320.440 3.265 50 0 DGAAHN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCCCCC2)c(C)c1 ZINC000029219269 431716453 /nfs/dbraw/zinc/71/64/53/431716453.db2.gz CQZADGPNEJHRON-HNNXBMFYSA-N 0 3 317.433 3.216 50 0 DGAAHN CC[C@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000036869668 431841984 /nfs/dbraw/zinc/84/19/84/431841984.db2.gz QVHFAMAWDPXLLD-AWEZNQCLSA-N 0 3 305.809 3.112 50 0 DGAAHN Cc1ccc(CNc2ccccc2CN2CCC(CO)CC2)o1 ZINC000086258010 431844204 /nfs/dbraw/zinc/84/42/04/431844204.db2.gz AIXVEROWWXPHHE-UHFFFAOYSA-N 0 3 314.429 3.404 50 0 DGAAHN O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1c(F)cccc1Cl ZINC000040286034 431857073 /nfs/dbraw/zinc/85/70/73/431857073.db2.gz POYCKBAKVBLREV-DOTOQJQBSA-N 0 3 316.763 3.404 50 0 DGAAHN CN(C)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1 ZINC000040511229 431857652 /nfs/dbraw/zinc/85/76/52/431857652.db2.gz QAVWJZJYFJLEOB-INIZCTEOSA-N 0 3 320.483 3.235 50 0 DGAAHN COC[C@@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000089409930 431864639 /nfs/dbraw/zinc/86/46/39/431864639.db2.gz GVYYTXWDAVHTAW-MJGOQNOKSA-N 0 3 319.445 3.103 50 0 DGAAHN Cc1cc([C@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1 ZINC000089599033 431872391 /nfs/dbraw/zinc/87/23/91/431872391.db2.gz PRKSZJHTIRGYNU-GUYCJALGSA-N 0 3 319.836 3.285 50 0 DGAAHN Cc1cc([C@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)[nH]n1 ZINC000089599033 431872393 /nfs/dbraw/zinc/87/23/93/431872393.db2.gz PRKSZJHTIRGYNU-GUYCJALGSA-N 0 3 319.836 3.285 50 0 DGAAHN Cc1ccccc1OC[C@H](O)CN(Cc1ccco1)CC(C)C ZINC000036096375 431835224 /nfs/dbraw/zinc/83/52/24/431835224.db2.gz OTIPZFDUGFHZFE-QGZVFWFLSA-N 0 3 317.429 3.486 50 0 DGAAHN Cn1c(SCCN2CCCCC2)nnc1-c1ccc(F)cc1 ZINC000036612098 431839107 /nfs/dbraw/zinc/83/91/07/431839107.db2.gz JTFYWXBKAAZWCV-UHFFFAOYSA-N 0 3 320.437 3.199 50 0 DGAAHN CN1CC[C@H](NCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437468 431926426 /nfs/dbraw/zinc/92/64/26/431926426.db2.gz ITZPNGUAWVCWPH-IRXDYDNUSA-N 0 3 319.811 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CCCc1ccc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)o1 ZINC000091441410 193056464 /nfs/dbraw/zinc/05/64/64/193056464.db2.gz CKQPYAHBHXHMSJ-BEFAXECRSA-N 0 3 321.461 3.232 50 0 DGAAHN c1csc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)n1 ZINC000091643409 193083481 /nfs/dbraw/zinc/08/34/81/193083481.db2.gz CPGUHHNHUZMUNX-DLBZAZTESA-N 0 3 313.470 3.240 50 0 DGAAHN COCCN(Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)CC1CC1 ZINC000092001717 193139172 /nfs/dbraw/zinc/13/91/72/193139172.db2.gz PCCQABXHIZHJOT-UHFFFAOYSA-N 0 3 314.429 3.003 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)cc1Cl)C2 ZINC000092065430 193150950 /nfs/dbraw/zinc/15/09/50/193150950.db2.gz OVSRFPVAHOETSB-TZMCWYRMSA-N 0 3 324.827 3.426 50 0 DGAAHN Cc1ncc(CN2CCC[C@@H](c3ncc[nH]3)C2)n1-c1ccccc1 ZINC000092072601 193154329 /nfs/dbraw/zinc/15/43/29/193154329.db2.gz OVXYIAOTXKAMEB-MRXNPFEDSA-N 0 3 321.428 3.283 50 0 DGAAHN CN1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016580527 182051117 /nfs/dbraw/zinc/05/11/17/182051117.db2.gz FQYFMZDGQYQSHF-UHFFFAOYSA-N 0 3 308.834 3.379 50 0 DGAAHN CCCCn1nc(C)c2c1nc(C)cc2C(=O)N[C@H](C)CC ZINC000017030854 182068832 /nfs/dbraw/zinc/06/88/32/182068832.db2.gz IYJIMJMBQMYEKU-LLVKDONJSA-N 0 3 302.422 3.377 50 0 DGAAHN COc1cc(CNC[C@@H]2OCCc3ccccc32)cc(OC)c1 ZINC000019703076 182137836 /nfs/dbraw/zinc/13/78/36/182137836.db2.gz SQZSGELVDMKNLT-IBGZPJMESA-N 0 3 313.397 3.107 50 0 biogenic DGAAHN COc1cc(OC)cc([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019608359 182133681 /nfs/dbraw/zinc/13/36/81/182133681.db2.gz DCNKZXPWASLNNH-GOSISDBHSA-N 0 3 308.381 3.420 50 0 DGAAHN COc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000019894183 182161538 /nfs/dbraw/zinc/16/15/38/182161538.db2.gz GIZDIACKJIGXHB-UHFFFAOYSA-N 0 3 320.433 3.184 50 0 DGAAHN O=C1C[C@H](NCC2CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019989926 182174336 /nfs/dbraw/zinc/17/43/36/182174336.db2.gz CSTTZOUIEVPYSR-HNNXBMFYSA-N 0 3 320.820 3.142 50 0 DGAAHN Fc1cc(F)c(CCN2CCN(C3CCCC3)CC2)c(F)c1 ZINC000020364095 182211708 /nfs/dbraw/zinc/21/17/08/182211708.db2.gz RBKYQXXPKHAXRQ-UHFFFAOYSA-N 0 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ZINC000106630784 194239171 /nfs/dbraw/zinc/23/91/71/194239171.db2.gz KYFVMMLIPLEDTF-VQIMIIECSA-N 0 3 323.440 3.379 50 0 DGAAHN C[C@@H](CNC(=O)Cc1ccccc1Cl)N1CCC(C)CC1 ZINC000058004615 184066328 /nfs/dbraw/zinc/06/63/28/184066328.db2.gz OZEBRUYZKQGBGT-AWEZNQCLSA-N 0 3 308.853 3.119 50 0 DGAAHN COc1c(CN[C@H]2C[C@@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421524 184116130 /nfs/dbraw/zinc/11/61/30/184116130.db2.gz LEEBKBCHHBKOQZ-ZBFHGGJFSA-N 0 3 317.408 3.337 50 0 DGAAHN COc1cccc([C@H](CNc2cc(Cl)nc(C)n2)N(C)C)c1 ZINC000060340058 184146577 /nfs/dbraw/zinc/14/65/77/184146577.db2.gz QVMIONVZXJJHIL-AWEZNQCLSA-N 0 3 320.824 3.162 50 0 DGAAHN CCN(Cc1ccc(C)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590846 184301298 /nfs/dbraw/zinc/30/12/98/184301298.db2.gz FFDUZFXJZPGESA-UHFFFAOYSA-N 0 3 321.424 3.333 50 0 DGAAHN CN1CCC(Oc2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000065363351 184328809 /nfs/dbraw/zinc/32/88/09/184328809.db2.gz XWQKSMMYHMYCGW-UHFFFAOYSA-N 0 3 310.397 3.412 50 0 DGAAHN CCCCn1ncc(C)c1NC(=O)c1ccc(CN(C)C)cc1 ZINC000065371528 184330159 /nfs/dbraw/zinc/33/01/59/184330159.db2.gz DVZQHDWYAPCUHZ-UHFFFAOYSA-N 0 3 314.433 3.306 50 0 DGAAHN CC[C@@H](NCc1cc(C)c(OC(C)=O)c(C)c1)c1ccnn1C ZINC000065453509 184346688 /nfs/dbraw/zinc/34/66/88/184346688.db2.gz VZOQJGKBQWYFDW-MRXNPFEDSA-N 0 3 315.417 3.203 50 0 DGAAHN CN(C)Cc1ccccc1CNCc1c[nH]nc1C(C)(C)C ZINC000065492241 184354459 /nfs/dbraw/zinc/35/44/59/184354459.db2.gz FJHSYKNFBCOIMO-UHFFFAOYSA-N 0 3 300.450 3.059 50 0 DGAAHN Cc1ccsc1CNCC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000065467462 184350981 /nfs/dbraw/zinc/35/09/81/184350981.db2.gz CBGMKGKLEHABNW-CQSZACIVSA-N 0 3 302.443 3.332 50 0 DGAAHN O=C(Nc1cccc(-n2cccc2)c1)NC1CCN(C2CC2)CC1 ZINC000065490741 184353793 /nfs/dbraw/zinc/35/37/93/184353793.db2.gz ZQEGZKUZXAYZGR-UHFFFAOYSA-N 0 3 324.428 3.226 50 0 DGAAHN COc1ccc(-c2cc(CNC3CCSCC3)on2)cc1 ZINC000065398333 184336628 /nfs/dbraw/zinc/33/66/28/184336628.db2.gz LBWBGVYKDTUFBV-UHFFFAOYSA-N 0 3 304.415 3.335 50 0 DGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC000065826776 184380497 /nfs/dbraw/zinc/38/04/97/184380497.db2.gz VYHWMLKFAZQURS-GOEBONIOSA-N 0 3 314.454 3.242 50 0 DGAAHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157127822 197164222 /nfs/dbraw/zinc/16/42/22/197164222.db2.gz FUGNQFUPHMWKLQ-UKRRQHHQSA-N 0 3 304.434 3.135 50 0 DGAAHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157127670 197164240 /nfs/dbraw/zinc/16/42/40/197164240.db2.gz FUGNQFUPHMWKLQ-DZGCQCFKSA-N 0 3 304.434 3.135 50 0 DGAAHN O[C@@H](CN1CCC(Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000368392166 257236183 /nfs/dbraw/zinc/23/61/83/257236183.db2.gz HAJLCBJUFYXOOU-IBGZPJMESA-N 0 3 314.404 3.209 50 0 DGAAHN CCOc1ccc(C(C)=O)cc1CNC(C)(C)C[C@H](C)CO ZINC000521396510 257239984 /nfs/dbraw/zinc/23/99/84/257239984.db2.gz NTDVFYMQEAUHTH-ZDUSSCGKSA-N 0 3 307.434 3.175 50 0 DGAAHN CCN1CCC[C@@H](c2nccn2Cc2cc(C(C)C)no2)C1 ZINC000071763076 257270522 /nfs/dbraw/zinc/27/05/22/257270522.db2.gz AMDJFCJPSZKQBH-CQSZACIVSA-N 0 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DGAAHN OC(CNCc1ccccn1)(c1ccccc1)c1ccccc1 ZINC000020219098 257268884 /nfs/dbraw/zinc/26/88/84/257268884.db2.gz FEQLLWUHJWIXQN-UHFFFAOYSA-N 0 3 304.393 3.107 50 0 DGAAHN CC(=O)NC(C)(C)C[C@H](C)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584892295 400122131 /nfs/dbraw/zinc/12/21/31/400122131.db2.gz DIGQJTWFADQQDQ-NSHDSACASA-N 0 3 310.388 3.237 50 0 DGAAHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1 ZINC000027573653 400274769 /nfs/dbraw/zinc/27/47/69/400274769.db2.gz MNAUZBASDLSNEB-MJGOQNOKSA-N 0 3 324.424 3.071 50 0 DGAAHN CSCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1 ZINC000106661410 400328909 /nfs/dbraw/zinc/32/89/09/400328909.db2.gz ZVWRWFCTRUBIDC-IAGOWNOFSA-N 0 3 318.486 3.248 50 0 DGAAHN C[C@@H](O)CCN[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553585 400925390 /nfs/dbraw/zinc/92/53/90/400925390.db2.gz LUSGTYRQXSEEKN-ZJUUUORDSA-N 0 3 315.339 3.014 50 0 DGAAHN Cc1n[nH]c(C)c1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000195555850 400925711 /nfs/dbraw/zinc/92/57/11/400925711.db2.gz WAXXQMREKQFPPA-UHFFFAOYSA-N 0 3 317.408 3.347 50 0 DGAAHN C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000195568607 400926650 /nfs/dbraw/zinc/92/66/50/400926650.db2.gz ZDWGQLAKDFWHBQ-TZMCWYRMSA-N 0 3 321.467 3.360 50 0 DGAAHN Cn1c(CN[C@H]2CCC[C@@H]2Cc2ccccc2)nnc1C1CC1 ZINC000191363033 432255509 /nfs/dbraw/zinc/25/55/09/432255509.db2.gz OKKSOYCFTJIBIJ-SJORKVTESA-N 0 3 310.445 3.194 50 0 DGAAHN CN1CCN(c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000019908879 273899239 /nfs/dbraw/zinc/89/92/39/273899239.db2.gz XYSNLULENDDWAK-UHFFFAOYSA-N 0 3 304.397 3.049 50 0 DGAAHN C[C@@H](c1ccncc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000229625883 274279473 /nfs/dbraw/zinc/27/94/73/274279473.db2.gz JEEXKXGUBKZAFD-DOTOQJQBSA-N 0 3 309.413 3.493 50 0 DGAAHN O=C([C@@H]1CCCN1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000095369316 275004619 /nfs/dbraw/zinc/00/46/19/275004619.db2.gz LGMWREIOQWISTR-FQEVSTJZSA-N 0 3 320.436 3.236 50 0 DGAAHN O=C1Nc2ccc(F)cc2C12CCN(Cc1ccccc1)CC2 ZINC000072194241 275024697 /nfs/dbraw/zinc/02/46/97/275024697.db2.gz 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/nfs/dbraw/zinc/29/29/70/431292970.db2.gz MMLUKPQFHFSSTJ-SFHVURJKSA-N 0 3 315.417 3.366 50 0 DGAAHN COc1ccc(CNCc2ccccc2-n2cccn2)cc1OC ZINC000071820802 431294001 /nfs/dbraw/zinc/29/40/01/431294001.db2.gz AOZAVNXTQSZWIE-UHFFFAOYSA-N 0 3 323.396 3.179 50 0 DGAAHN COc1ccccc1N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000004981292 431303153 /nfs/dbraw/zinc/30/31/53/431303153.db2.gz FUSCAHOAYZJNNW-IBGZPJMESA-N 0 3 322.452 3.375 50 0 DGAAHN Cc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1F ZINC000007941631 431370227 /nfs/dbraw/zinc/37/02/27/431370227.db2.gz LKALSZVGZZJMDR-UHFFFAOYSA-N 0 3 300.377 3.126 50 0 DGAAHN O=C1NC[C@]2(CCCN(Cc3ccccc3-c3ccccc3)C2)O1 ZINC000072127190 431330720 /nfs/dbraw/zinc/33/07/20/431330720.db2.gz JDPJJDHIAHZHKY-FQEVSTJZSA-N 0 3 322.408 3.428 50 0 DGAAHN CC[C@@H](CO)NCc1ccccc1OCc1ccc(F)cc1 ZINC000008326399 431392713 /nfs/dbraw/zinc/39/27/13/431392713.db2.gz YQSQFDLICQVDOZ-KRWDZBQOSA-N 0 3 303.377 3.265 50 0 DGAAHN C[C@H](O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008498012 431398142 /nfs/dbraw/zinc/39/81/42/431398142.db2.gz AGLGRNZCZMHSDV-ZDUSSCGKSA-N 0 3 305.805 3.389 50 0 DGAAHN CCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000075111056 431453326 /nfs/dbraw/zinc/45/33/26/431453326.db2.gz IAVAAWXZMAOHAD-UHFFFAOYSA-N 0 3 324.852 3.100 50 0 DGAAHN Cc1ccsc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000075108238 431453851 /nfs/dbraw/zinc/45/38/51/431453851.db2.gz VFNYBNRQVVXSNF-UHFFFAOYSA-N 0 3 308.472 3.322 50 0 DGAAHN Cc1cc(C)n(C[C@H]2CCCCN2Cc2c(C)noc2C)n1 ZINC000075131839 431455170 /nfs/dbraw/zinc/45/51/70/431455170.db2.gz ISLOMAYRQBDUGC-MRXNPFEDSA-N 0 3 302.422 3.159 50 0 DGAAHN Cc1ccc2nc3sc(C(=O)NCCN(C)C)cc3cc2c1 ZINC000009528669 431436756 /nfs/dbraw/zinc/43/67/56/431436756.db2.gz SEWBXJDCKPJRHS-UHFFFAOYSA-N 0 3 313.426 3.049 50 0 DGAAHN C/C=C(\C)CN1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000012711449 431522430 /nfs/dbraw/zinc/52/24/30/431522430.db2.gz XYQZICXMVFPIMJ-PJQLUOCWSA-N 0 3 318.465 3.471 50 0 DGAAHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000012328101 431500293 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/nfs/dbraw/zinc/55/36/37/431553637.db2.gz FNQSFQDQLXDDNB-GFCCVEGCSA-N 0 3 317.801 3.388 50 0 DGAAHN CCOC(=O)C[C@H]1CCCCN1Cc1cc(CN(C)C)cs1 ZINC000077338980 431585507 /nfs/dbraw/zinc/58/55/07/431585507.db2.gz SFOBXSBMLZOWNP-OAHLLOKOSA-N 0 3 324.490 3.117 50 0 DGAAHN Cc1oc(C)c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1C ZINC000025380619 431653693 /nfs/dbraw/zinc/65/36/93/431653693.db2.gz XCMCMHSGOXXFDT-MRXNPFEDSA-N 0 3 300.402 3.238 50 0 DGAAHN COCCC[C@@H]1CCCN(Cc2c(OC)cccc2OC)C1 ZINC000077520540 431605153 /nfs/dbraw/zinc/60/51/53/431605153.db2.gz PFDKNDSGYWAPMK-HNNXBMFYSA-N 0 3 307.434 3.342 50 0 DGAAHN CC(=O)Nc1ccc(CCNCc2cc(F)ccc2F)cc1 ZINC000078411720 431666964 /nfs/dbraw/zinc/66/69/64/431666964.db2.gz ZFIWOYNROBOQDO-UHFFFAOYSA-N 0 3 304.340 3.256 50 0 DGAAHN COc1ccc(OC)c([C@@H](C)NC[C@@H](O)c2ccccc2)c1 ZINC000026714735 431677525 /nfs/dbraw/zinc/67/75/25/431677525.db2.gz BTBDSUYHJYCNJB-CXAGYDPISA-N 0 3 301.386 3.088 50 0 DGAAHN Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000031565499 431761554 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/nfs/dbraw/zinc/83/32/24/431833224.db2.gz NJRGYCDUVGHODP-INIZCTEOSA-N 0 3 304.434 3.218 50 0 DGAAHN CC(C)CN(Cc1ccsc1)C[C@H](O)COCc1ccco1 ZINC000036099203 431835071 /nfs/dbraw/zinc/83/50/71/431835071.db2.gz ZQSSNJKAOFEWDY-INIZCTEOSA-N 0 3 323.458 3.377 50 0 DGAAHN CC[C@H](O)CN(CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097306 431835970 /nfs/dbraw/zinc/83/59/70/431835970.db2.gz NUJXJPDJEDPTCU-INIZCTEOSA-N 0 3 309.450 3.323 50 0 DGAAHN CN(Cc1cccc(C(N)=O)c1)CC12CC3CC(CC(C3)C1)C2 ZINC000047461656 431911206 /nfs/dbraw/zinc/91/12/06/431911206.db2.gz CASGGHPHDGNVJI-UHFFFAOYSA-N 0 3 312.457 3.434 50 0 DGAAHN Cc1ccc2c(c1)[C@@H](NC[C@@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459719 431926278 /nfs/dbraw/zinc/92/62/78/431926278.db2.gz OUSOHJLNENTHGC-WBVHZDCISA-N 0 3 317.429 3.484 50 0 DGAAHN CCOC(=O)c1cccnc1NC[C@@H](c1cccs1)N(C)C ZINC000048314324 431923038 /nfs/dbraw/zinc/92/30/38/431923038.db2.gz UPELBQXSUOIBSU-ZDUSSCGKSA-N 0 3 319.430 3.035 50 0 DGAAHN C[C@@H](Cc1ccccc1Br)NCc1ccc(CO)o1 ZINC000089904214 431884954 /nfs/dbraw/zinc/88/49/54/431884954.db2.gz BULIHIRKYJVQPS-NSHDSACASA-N 0 3 324.218 3.255 50 0 DGAAHN C[C@@H]1C[C@@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 ZINC000089920362 431885320 /nfs/dbraw/zinc/88/53/20/431885320.db2.gz ZCVGCJCQBKGZHR-UKRRQHHQSA-N 0 3 316.474 3.482 50 0 DGAAHN CC[C@@H](C(=O)N1CCCSC[C@@H]1CN(C)C)c1ccccc1 ZINC000090699973 431895355 /nfs/dbraw/zinc/89/53/55/431895355.db2.gz HDTOKXPIDQQWLZ-DLBZAZTESA-N 0 3 320.502 3.076 50 0 DGAAHN CN(C)CCN(Cc1ccsc1)Cc1nc2ccccc2[nH]1 ZINC000055153326 431977119 /nfs/dbraw/zinc/97/71/19/431977119.db2.gz IGRVUIVCTPGGBV-UHFFFAOYSA-N 0 3 314.458 3.188 50 0 DGAAHN CCCn1ncc(CN(CCN(C)C)Cc2ccsc2)c1C ZINC000055118813 431977165 /nfs/dbraw/zinc/97/71/65/431977165.db2.gz ISNFGBJZYRNXJR-UHFFFAOYSA-N 0 3 320.506 3.227 50 0 DGAAHN O=C(/C=C\c1ccccn1)Nc1cccc(CN2CCCC2)c1 ZINC000055308153 431979478 /nfs/dbraw/zinc/97/94/78/431979478.db2.gz IUYSHACEGVTKML-KTKRTIGZSA-N 0 3 307.397 3.329 50 0 DGAAHN Cc1noc(C)c1CN1CCCN(c2ccc(F)cc2)CC1 ZINC000095951841 431927996 /nfs/dbraw/zinc/92/79/96/431927996.db2.gz RTTMAMZABWEIDJ-UHFFFAOYSA-N 0 3 303.381 3.143 50 0 DGAAHN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc(Cl)c(F)c1 ZINC000095956254 431928494 /nfs/dbraw/zinc/92/84/94/431928494.db2.gz PMBZRZVGYSKNFS-AWEZNQCLSA-N 0 3 306.768 3.335 50 0 DGAAHN Cc1ncc([C@H](C)N[C@@H](C)COc2ccc(F)cc2)c(C)n1 ZINC000095967389 431929465 /nfs/dbraw/zinc/92/94/65/431929465.db2.gz NWGROKZJMITEEY-RYUDHWBXSA-N 0 3 303.381 3.351 50 0 DGAAHN CCc1ccsc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000095969175 431929695 /nfs/dbraw/zinc/92/96/95/431929695.db2.gz BOTRAZAJXHFRSG-LBPRGKRZSA-N 0 3 313.430 3.137 50 0 DGAAHN COc1ccc(-c2nnc(SCC[C@@H]3CCCN3C)o2)cc1 ZINC000095975898 431930533 /nfs/dbraw/zinc/93/05/33/431930533.db2.gz PYITVVTWKHILSL-ZDUSSCGKSA-N 0 3 319.430 3.322 50 0 DGAAHN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000095975167 431930807 /nfs/dbraw/zinc/93/08/07/431930807.db2.gz POQKKXHVMWEZGH-ZYHUDNBSSA-N 0 3 321.314 3.128 50 0 DGAAHN Fc1cc(N2CC[C@@H](NCc3cncs3)C2)ccc1Cl ZINC000095978251 431931053 /nfs/dbraw/zinc/93/10/53/431931053.db2.gz HPCRFJDHUIEGRP-SNVBAGLBSA-N 0 3 311.813 3.304 50 0 DGAAHN CCc1nn(C)cc1CN1CCC[C@H](n2cnc3ccccc32)C1 ZINC000095986662 431931600 /nfs/dbraw/zinc/93/16/00/431931600.db2.gz AEXPMSPHKBIKAL-INIZCTEOSA-N 0 3 323.444 3.169 50 0 DGAAHN Fc1ccc(C2(NC3CCSCC3)CCOCC2)c(F)c1 ZINC000095988536 431932486 /nfs/dbraw/zinc/93/24/86/431932486.db2.gz WWKCVDPRGMAHDS-UHFFFAOYSA-N 0 3 313.413 3.456 50 0 DGAAHN CN1CCC(Oc2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000096125660 431940128 /nfs/dbraw/zinc/94/01/28/431940128.db2.gz XCGFREFTGLVGFE-UHFFFAOYSA-N 0 3 302.418 3.288 50 0 DGAAHN CCN(Cc1ccc(C(=O)NC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000096455325 431951313 /nfs/dbraw/zinc/95/13/13/431951313.db2.gz FMCKUNBRQUSXCU-AWEZNQCLSA-N 0 3 312.413 3.335 50 0 DGAAHN CN(C(=O)CCCOc1ccccc1Cl)C1CCN(C)CC1 ZINC000051468819 431952002 /nfs/dbraw/zinc/95/20/02/431952002.db2.gz ACKLONZZJFAONF-UHFFFAOYSA-N 0 3 324.852 3.052 50 0 DGAAHN C[C@@H](Cc1nc2ccccc2s1)NCC[S@@](=O)C(C)(C)C ZINC000096477871 431952953 /nfs/dbraw/zinc/95/29/53/431952953.db2.gz FKYSUXFBXZWCKH-QKVFXAPYSA-N 0 3 324.515 3.364 50 0 DGAAHN C[C@H](CO)CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1 ZINC000055325936 431980374 /nfs/dbraw/zinc/98/03/74/431980374.db2.gz TWHSAVWSBMFRDT-HNNXBMFYSA-N 0 3 315.461 3.338 50 0 DGAAHN Cn1cc(CN2CCC(n3cccn3)CC2)c(-c2ccccc2)n1 ZINC000097033876 431956568 /nfs/dbraw/zinc/95/65/68/431956568.db2.gz ZJEWKOFRBUAQOE-UHFFFAOYSA-N 0 3 321.428 3.121 50 0 DGAAHN COCCN[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000097036976 431956947 /nfs/dbraw/zinc/95/69/47/431956947.db2.gz GBUNUYVUVSKARC-IINYFYTJSA-N 0 3 304.217 3.307 50 0 DGAAHN CCc1cnccc1C(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000097034987 431957403 /nfs/dbraw/zinc/95/74/03/431957403.db2.gz PRARJXUNDBDESZ-SFHVURJKSA-N 0 3 323.440 3.038 50 0 DGAAHN c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cs1 ZINC000097103458 431961070 /nfs/dbraw/zinc/96/10/70/431961070.db2.gz FDTKMWGZGAKDFS-ZDUSSCGKSA-N 0 3 305.403 3.114 50 0 DGAAHN C[C@@H](CNCc1sccc1Br)Cn1ccnc1 ZINC000097142143 431962701 /nfs/dbraw/zinc/96/27/01/431962701.db2.gz BGBMSDMSOVIXDW-JTQLQIEISA-N 0 3 314.252 3.133 50 0 DGAAHN CC(C)n1cncc1CN(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000097179503 431963927 /nfs/dbraw/zinc/96/39/27/431963927.db2.gz LZDQAINMTVWBKP-QGZVFWFLSA-N 0 3 312.461 3.422 50 0 DGAAHN CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000097233921 431966066 /nfs/dbraw/zinc/96/60/66/431966066.db2.gz WXHQVTDONXKUOQ-ZIAGYGMSSA-N 0 3 323.412 3.271 50 0 DGAAHN Cc1ccc2c(CN3CCSCC[C@H]3C)cc(=O)oc2c1 ZINC000170616729 281045733 /nfs/dbraw/zinc/04/57/33/281045733.db2.gz RIXXYMIYFWZIFO-CYBMUJFWSA-N 0 3 303.427 3.429 50 0 DGAAHN Cc1ccc2c(c1)[C@H](NC[C@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459720 281120504 /nfs/dbraw/zinc/12/05/04/281120504.db2.gz OUSOHJLNENTHGC-DOTOQJQBSA-N 0 3 317.429 3.484 50 0 DGAAHN Cc1cccc(C(C)(C)C)c1OCCCN1CCN(C)CC1 ZINC000020118513 281197398 /nfs/dbraw/zinc/19/73/98/281197398.db2.gz QMQMCCQWPPWHRN-UHFFFAOYSA-N 0 3 304.478 3.309 50 0 DGAAHN Cc1ccccc1CN1CCN(c2ncnc3sccc32)CC1 ZINC000057522495 431991915 /nfs/dbraw/zinc/99/19/15/431991915.db2.gz KEUABWDTFOKRRI-UHFFFAOYSA-N 0 3 324.453 3.322 50 0 DGAAHN CC/C=C(\C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000102941877 432000682 /nfs/dbraw/zinc/00/06/82/432000682.db2.gz YXIXLSKKMJWDJJ-GIDUJCDVSA-N 0 3 316.445 3.132 50 0 DGAAHN Cc1ccc(N2CCCN(c3ccnc4ccccc43)CC2)nn1 ZINC000192141769 432336567 /nfs/dbraw/zinc/33/65/67/432336567.db2.gz STCOQMNPDIKZFJ-UHFFFAOYSA-N 0 3 319.412 3.050 50 0 DGAAHN C[C@H]1CCCN(C(=O)CN2CCC[C@H]2CCc2ccccc2)C1 ZINC000252452437 432376904 /nfs/dbraw/zinc/37/69/04/432376904.db2.gz ILZKFQIMEMMVIE-HKUYNNGSSA-N 0 3 314.473 3.342 50 0 DGAAHN c1coc(CCCN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000252482938 432377707 /nfs/dbraw/zinc/37/77/07/432377707.db2.gz DQOJMYPXJVXUIW-OAHLLOKOSA-N 0 3 310.401 3.135 50 0 DGAAHN CN(C)C[C@H](NC(=O)NCc1ccoc1)c1ccc(Cl)cc1 ZINC000252494222 432379628 /nfs/dbraw/zinc/37/96/28/432379628.db2.gz NOSNLCQRJPPGCO-HNNXBMFYSA-N 0 3 321.808 3.035 50 0 DGAAHN O=C(CCN1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1F ZINC000192634007 432394941 /nfs/dbraw/zinc/39/49/41/432394941.db2.gz PSASTIWJLBMIDV-LLVKDONJSA-N 0 3 318.314 3.429 50 0 DGAAHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H](O)c1ccccc1 ZINC000153782118 432443774 /nfs/dbraw/zinc/44/37/74/432443774.db2.gz DPXOKSOCSWNJKJ-GUYCJALGSA-N 0 3 301.434 3.331 50 0 DGAAHN Cc1ccc(CN2CC[C@H](c3noc(-c4ccccn4)n3)C2)o1 ZINC000257175375 432416332 /nfs/dbraw/zinc/41/63/32/432416332.db2.gz OTWCOBSGRWSGKP-ZDUSSCGKSA-N 0 3 310.357 3.023 50 0 DGAAHN COc1ccc2nc(CN3CCC[C@@H]3C(C)(C)O)sc2c1 ZINC000187306766 432656652 /nfs/dbraw/zinc/65/66/52/432656652.db2.gz KUBAYLRLJNMNCM-CQSZACIVSA-N 0 3 306.431 3.040 50 0 DGAAHN CC(C)c1csc(C(=O)NCc2cccc(CN(C)C)c2)n1 ZINC000221349441 432667544 /nfs/dbraw/zinc/66/75/44/432667544.db2.gz YIWMSFCLLSAFKJ-UHFFFAOYSA-N 0 3 317.458 3.258 50 0 DGAAHN Cn1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cn1 ZINC000177974894 432680764 /nfs/dbraw/zinc/68/07/64/432680764.db2.gz IAGSSOSTAOSQSI-CQSZACIVSA-N 0 3 316.474 3.135 50 0 DGAAHN CN(CCC(=O)Nc1ccc2c(c1)CCC2)C[C@@H]1CCCCO1 ZINC000244633717 432822117 /nfs/dbraw/zinc/82/21/17/432822117.db2.gz GIJKCDKWKHLBDS-SFHVURJKSA-N 0 3 316.445 3.005 50 0 DGAAHN COc1ccccc1OCCCN1CC(N2CCCC[C@H]2C)C1 ZINC000244794658 432824114 /nfs/dbraw/zinc/82/41/14/432824114.db2.gz QRBWCBLTDMYPDN-MRXNPFEDSA-N 0 3 318.461 3.023 50 0 DGAAHN Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(C)n1 ZINC000189720672 432813372 /nfs/dbraw/zinc/81/33/72/432813372.db2.gz DQROBIMQYHWRHP-QZTJIDSGSA-N 0 3 324.428 3.265 50 0 DGAAHN CC[C@H](CSC)N(C)Cc1ccc(OC)c(OC)c1OC ZINC000289242872 432937339 /nfs/dbraw/zinc/93/73/39/432937339.db2.gz ABWIAORJFCRWQI-CYBMUJFWSA-N 0 3 313.463 3.286 50 0 DGAAHN CCC[C@]1(CO)CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000288913712 432905556 /nfs/dbraw/zinc/90/55/56/432905556.db2.gz UJFQXRPWSMNVMU-SFHVURJKSA-N 0 3 300.402 3.326 50 0 DGAAHN CC(=O)NC1CCC(NCc2cc(F)c(Cl)cc2F)CC1 ZINC000278905390 432915124 /nfs/dbraw/zinc/91/51/24/432915124.db2.gz VJMHAVFQYCPXPW-UHFFFAOYSA-N 0 3 316.779 3.155 50 0 DGAAHN Cc1ccsc1-c1cccc(C(=O)N(C)[C@H]2CCN(C)C2)c1 ZINC000299777448 433382268 /nfs/dbraw/zinc/38/22/68/433382268.db2.gz JXZNIGIHDWUGDD-INIZCTEOSA-N 0 3 314.454 3.500 50 0 DGAAHN CCN(CCN(C)C)C(=O)c1cccc(-c2ncccc2C)c1 ZINC000299794758 433384758 /nfs/dbraw/zinc/38/47/58/433384758.db2.gz IXWMAPNQBNFKMH-UHFFFAOYSA-N 0 3 311.429 3.081 50 0 DGAAHN CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCN(C)C1 ZINC000299794171 433384945 /nfs/dbraw/zinc/38/49/45/433384945.db2.gz JIZAFXCZIFZUAD-SNVBAGLBSA-N 0 3 302.205 3.161 50 0 DGAAHN CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCN(C)C1 ZINC000299794163 433385903 /nfs/dbraw/zinc/38/59/03/433385903.db2.gz JIZAFXCZIFZUAD-JTQLQIEISA-N 0 3 302.205 3.161 50 0 DGAAHN Cc1ccc2c(cccc2NC(=O)NCCN2CCCCC2)n1 ZINC000299796244 433387207 /nfs/dbraw/zinc/38/72/07/433387207.db2.gz MMLGWFLMSFDPLD-UHFFFAOYSA-N 0 3 312.417 3.151 50 0 DGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)CC2=CCCC2)C1 ZINC000426705542 433569013 /nfs/dbraw/zinc/56/90/13/433569013.db2.gz BYSYHGARKRBAEZ-SFHVURJKSA-N 0 3 312.457 3.401 50 0 DGAAHN Cc1cccc(Cl)c1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000448940388 433622313 /nfs/dbraw/zinc/62/23/13/433622313.db2.gz ZPYKMTWYMMVHBZ-CQSZACIVSA-N 0 3 306.837 3.349 50 0 DGAAHN CCN(Cc1cnn(C)c1C(F)(F)F)[C@@H]1CCOC(C)(C)C1 ZINC000351926221 433795016 /nfs/dbraw/zinc/79/50/16/433795016.db2.gz NONXVJGFLIHSOW-GFCCVEGCSA-N 0 3 319.371 3.218 50 0 DGAAHN COc1cc([C@H](C)NC[C@@H](CCO)c2ccccc2)c(F)cn1 ZINC000287631374 434415078 /nfs/dbraw/zinc/41/50/78/434415078.db2.gz KJZYSEVHGCHHCP-DZGCQCFKSA-N 0 3 318.392 3.046 50 0 DGAAHN Clc1cnn(CCN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000459296905 434562249 /nfs/dbraw/zinc/56/22/49/434562249.db2.gz HLNCUSYRNYPOII-QGZVFWFLSA-N 0 3 319.836 3.218 50 0 DGAAHN C=Cn1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)cn1 ZINC000408514786 434582705 /nfs/dbraw/zinc/58/27/05/434582705.db2.gz QUNIIOGXMUKNJC-UHFFFAOYSA-N 0 3 317.820 3.433 50 0 DGAAHN C[C@H](NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCCO1 ZINC000585123280 435292362 /nfs/dbraw/zinc/29/23/62/435292362.db2.gz VLVBGPLADPKEBP-WCQYABFASA-N 0 3 318.339 3.070 50 0 DGAAHN Cc1nc(C)c(CCN[C@H](C)c2cn3ccccc3n2)s1 ZINC000548056475 314416566 /nfs/dbraw/zinc/41/65/66/314416566.db2.gz XLYFOJANZPQRJV-LLVKDONJSA-N 0 3 300.431 3.301 50 0 DGAAHN O[C@H](CCc1ccccc1)CN1CCOC2(CCCCC2)C1 ZINC000182413783 323297672 /nfs/dbraw/zinc/29/76/72/323297672.db2.gz YCEBBHBLPUOXSL-GOSISDBHSA-N 0 3 303.446 3.015 50 0 DGAAHN CCOc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000034916 545643269 /nfs/dbraw/zinc/64/32/69/545643269.db2.gz QWYUPEMJGJVOFD-IBGZPJMESA-N 0 3 313.397 3.338 50 0 biogenic DGAAHN COc1ccccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000000036709 545644169 /nfs/dbraw/zinc/64/41/69/545644169.db2.gz BNOTXMVTWAVUAA-UHFFFAOYSA-N 0 3 310.397 3.082 50 0 DGAAHN Cc1nc(CN(Cc2ccccc2F)[C@H]2CCN(C)C2)oc1C ZINC000084061358 545782536 /nfs/dbraw/zinc/78/25/36/545782536.db2.gz XWDKCBCXRBQBKE-INIZCTEOSA-N 0 3 317.408 3.137 50 0 DGAAHN c1cnn(Cc2ccc(CN3CCC(c4ncc[nH]4)CC3)cc2)c1 ZINC000215033519 546260204 /nfs/dbraw/zinc/26/02/04/546260204.db2.gz ZUBHGTAGNMAOOF-UHFFFAOYSA-N 0 3 321.428 3.034 50 0 DGAAHN Cc1cc(CN2CCC[C@@H](c3nc4ccccc4n3C)C2)on1 ZINC000215059728 546260978 /nfs/dbraw/zinc/26/09/78/546260978.db2.gz LEXZBJMOIMAEBV-CQSZACIVSA-N 0 3 310.401 3.249 50 0 DGAAHN Cc1[nH]nc(CN2CCCN(c3ccc(F)cc3)CC2)c1Cl ZINC000215548131 546261718 /nfs/dbraw/zinc/26/17/18/546261718.db2.gz HTJYRBUOZLNZTJ-UHFFFAOYSA-N 0 3 322.815 3.223 50 0 DGAAHN CCCOC[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670438155 547753341 /nfs/dbraw/zinc/75/33/41/547753341.db2.gz IDRHOWQVFURCCB-CYBMUJFWSA-N 0 3 302.340 3.349 50 0 DGAAHN c1nc(C2CCN(Cc3cc(C4CCCCC4)no3)CC2)n[nH]1 ZINC000670444729 547754497 /nfs/dbraw/zinc/75/44/97/547754497.db2.gz XGLHDVUWJUMFAP-UHFFFAOYSA-N 0 3 315.421 3.220 50 0 DGAAHN CSCC[C@H](N)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000299756936 563804155 /nfs/dbraw/zinc/80/41/55/563804155.db2.gz DXMOTYJLBFWLLQ-INIZCTEOSA-N 0 3 320.502 3.085 50 0 DGAAHN O=C(c1cccc(CN2CCCCCC2)c1)N1CCSCC1 ZINC000299758011 563804849 /nfs/dbraw/zinc/80/48/49/563804849.db2.gz JTHDCQLUHUQXEF-UHFFFAOYSA-N 0 3 318.486 3.252 50 0 DGAAHN CC1(C)C[C@@H](NCc2cccc(OCc3ccccn3)c2)CO1 ZINC000585087346 574817735 /nfs/dbraw/zinc/81/77/35/574817735.db2.gz FJDARJQPMKEOPC-QGZVFWFLSA-N 0 3 312.413 3.318 50 0 DGAAHN CCCOc1c(CN(C)C[C@@H](O)C2CC2)cccc1OCC ZINC000809751740 626946526 /nfs/dbraw/zinc/94/65/26/626946526.db2.gz JOCKLKUZBJTRAB-MRXNPFEDSA-N 0 3 307.434 3.077 50 0 DGAAHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)ccn1 ZINC000824596272 628675171 /nfs/dbraw/zinc/67/51/71/628675171.db2.gz HTVCNPPPSTXWLV-HNNXBMFYSA-N 0 3 309.413 3.368 50 0 DGAAHN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3c[nH]cn3)C2)cc1 ZINC000077470512 660329747 /nfs/dbraw/zinc/32/97/47/660329747.db2.gz QTIJYSWAWVLTLZ-MRXNPFEDSA-N 0 3 321.428 3.488 50 0 DGAAHN COc1cccc(-c2[nH]nc3c2CN(Cc2ccoc2)CC3)c1 ZINC000012316970 660528750 /nfs/dbraw/zinc/52/87/50/660528750.db2.gz BLFFWAPZAIVXBT-UHFFFAOYSA-N 0 3 309.369 3.237 50 0 DGAAHN CCc1ccc([C@H](CNC(=O)/C=C\c2ccco2)N(C)C)cc1 ZINC000098003946 657715310 /nfs/dbraw/zinc/71/53/10/657715310.db2.gz 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C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 ZINC000095423910 185361158 /nfs/dbraw/zinc/36/11/58/185361158.db2.gz NRKKRGGMOJABBG-SJCJKPOMSA-N 0 3 322.399 3.407 50 0 DGAAHN CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)Nc1cccnc1 ZINC000095466671 185371882 /nfs/dbraw/zinc/37/18/82/185371882.db2.gz LCBNBESFVWZGBI-QGZVFWFLSA-N 0 3 315.392 3.016 50 0 DGAAHN Cc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)s1 ZINC000097017334 185397554 /nfs/dbraw/zinc/39/75/54/185397554.db2.gz KKVDOIGYEGFFOO-UKRRQHHQSA-N 0 3 306.475 3.498 50 0 DGAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968302 432009970 /nfs/dbraw/zinc/00/99/70/432009970.db2.gz JXAYGVILIZAOCB-AWEZNQCLSA-N 0 3 315.417 3.165 50 0 DGAAHN OCc1ccc(-c2nccn2[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000071759419 191026272 /nfs/dbraw/zinc/02/62/72/191026272.db2.gz OUFWGGKNHHESJQ-INIZCTEOSA-N 0 3 323.396 3.082 50 0 DGAAHN Cc1cccc(C)c1OCCCN1CCC(n2cncn2)CC1 ZINC000071903162 191032647 /nfs/dbraw/zinc/03/26/47/191032647.db2.gz MHTUMANFIGZHBU-UHFFFAOYSA-N 0 3 314.433 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181372653 /nfs/dbraw/zinc/37/26/53/181372653.db2.gz BYAKIIGSFXMQOA-HNNXBMFYSA-N 0 3 315.413 3.053 50 0 DGAAHN CC(C)(CO)NCc1ccccc1OCc1ccccc1F ZINC000006703048 181374524 /nfs/dbraw/zinc/37/45/24/181374524.db2.gz AEZRRMOKXAJRKV-UHFFFAOYSA-N 0 3 303.377 3.265 50 0 DGAAHN C[C@@H]1CN(CCOCc2ccccc2)CC[C@@]1(O)C1CCC1 ZINC000091526925 193069306 /nfs/dbraw/zinc/06/93/06/193069306.db2.gz YBGPXZDVSLBQFP-APWZRJJASA-N 0 3 303.446 3.076 50 0 DGAAHN CCN1CC2(CCC1=O)CCN(Cc1cccc(F)c1C)CC2 ZINC000091725121 193097510 /nfs/dbraw/zinc/09/75/10/193097510.db2.gz DKFKMYTVHSGTFQ-UHFFFAOYSA-N 0 3 318.436 3.359 50 0 DGAAHN COCCC[C@]1(CO)CCCN(C/C=C/c2ccccc2)C1 ZINC000091846023 193117072 /nfs/dbraw/zinc/11/70/72/193117072.db2.gz PQXYDISDEZIBGV-CEQQRPIWSA-N 0 3 303.446 3.201 50 0 DGAAHN CC1(C)CN(Cc2cnc(CC3CCCC3)[nH]2)CC[C@]1(C)O ZINC000092022632 193143234 /nfs/dbraw/zinc/14/32/34/193143234.db2.gz QDMKULSTLGGSEO-SFHVURJKSA-N 0 3 305.466 3.125 50 0 DGAAHN CCc1oc(-c2nc([C@@H]3CCOC3)no2)cc1CN(CC)CC ZINC000096140547 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0 DGAAHN Cc1cc(NCCc2nnc3ccccn32)c2ccccc2n1 ZINC000089583206 431870996 /nfs/dbraw/zinc/87/09/96/431870996.db2.gz MIHHZPUQKCFVRQ-UHFFFAOYSA-N 0 3 303.369 3.241 50 0 DGAAHN O[C@H](CNCc1ccc(Br)s1)c1ccccc1 ZINC000035112794 431823798 /nfs/dbraw/zinc/82/37/98/431823798.db2.gz QBOQSWPBTCCHBE-GFCCVEGCSA-N 0 3 312.232 3.334 50 0 DGAAHN O[C@H](COCc1ccco1)CN1CCC[C@@H]1c1ccsc1 ZINC000048248840 431921257 /nfs/dbraw/zinc/92/12/57/431921257.db2.gz UTTNBJQVAXNPCC-GOEBONIOSA-N 0 3 307.415 3.056 50 0 DGAAHN CN(CCNC(=O)/C=C/c1c(Cl)cccc1Cl)C1CC1 ZINC000048341648 431923882 /nfs/dbraw/zinc/92/38/82/431923882.db2.gz KOPBNTAWUAWVLP-BQYQJAHWSA-N 0 3 313.228 3.217 50 0 DGAAHN CN1CCCCC[C@@H]1C(=O)NCCCSc1ccccc1 ZINC000095381503 431924192 /nfs/dbraw/zinc/92/41/92/431924192.db2.gz KLPXVTTUXMULHS-MRXNPFEDSA-N 0 3 306.475 3.159 50 0 DGAAHN COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000095422673 431924768 /nfs/dbraw/zinc/92/47/68/431924768.db2.gz FWXFGNMKMLDFDO-KPZWWZAWSA-N 0 3 319.376 3.227 50 0 DGAAHN Cc1cccc([C@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)c1 ZINC000048354102 431924771 /nfs/dbraw/zinc/92/47/71/431924771.db2.gz YYKCVKUINFMAOF-FUHWJXTLSA-N 0 3 300.446 3.390 50 0 DGAAHN Cc1cnc(CN(C)[C@@H]2CCN(CCCc3ccccc3)C2)o1 ZINC000089702285 431875445 /nfs/dbraw/zinc/87/54/45/431875445.db2.gz YATSBHYHBUAXLK-GOSISDBHSA-N 0 3 313.445 3.122 50 0 DGAAHN C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cccs1 ZINC000095422768 431925326 /nfs/dbraw/zinc/92/53/26/431925326.db2.gz UCVCYKJQKWVMSQ-VIFPVBQESA-N 0 3 316.352 3.320 50 0 DGAAHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCc3ccccc3CC2)C1 ZINC000044857404 431877828 /nfs/dbraw/zinc/87/78/28/431877828.db2.gz HPKFZXQRPTZFEQ-QGZVFWFLSA-N 0 3 316.445 3.097 50 0 DGAAHN O=C(NCC1(c2ccccc2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000089827699 431881270 /nfs/dbraw/zinc/88/12/70/431881270.db2.gz GMGFLZUEHDPSIJ-GOSISDBHSA-N 0 3 312.457 3.241 50 0 DGAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2c3ccccc3nn2C)c1 ZINC000055042665 431975422 /nfs/dbraw/zinc/97/54/22/431975422.db2.gz ZKRDMYZUCVFJFX-OAHLLOKOSA-N 0 3 308.429 3.340 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3 315.244 3.123 50 0 DGAAHN CCOC(=O)C1CCN(CCCCOc2ccc(F)cc2)CC1 ZINC000006702068 181373386 /nfs/dbraw/zinc/37/33/86/181373386.db2.gz TVEVDKOMPNOPOF-UHFFFAOYSA-N 0 3 323.408 3.260 50 0 DGAAHN COCCn1cncc1CN1CCC[C@](C)(c2ccccc2)C1 ZINC000091486601 193063217 /nfs/dbraw/zinc/06/32/17/193063217.db2.gz BBDJEMPICHDNBN-IBGZPJMESA-N 0 3 313.445 3.083 50 0 DGAAHN COCc1ncc(CN2CCC[C@@](C)(c3ccccc3)C2)cn1 ZINC000091770576 193104631 /nfs/dbraw/zinc/10/46/31/193104631.db2.gz HAMUPKPNECLLBP-LJQANCHMSA-N 0 3 311.429 3.177 50 0 DGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccncc1 ZINC000054219192 283990510 /nfs/dbraw/zinc/99/05/10/283990510.db2.gz SAOOYZODHNZQSY-CQSZACIVSA-N 0 3 316.430 3.102 50 0 DGAAHN C[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000252549496 202865892 /nfs/dbraw/zinc/86/58/92/202865892.db2.gz RJKKNJYGGPSMDZ-JCGIZDLHSA-N 0 3 316.470 3.034 50 0 DGAAHN COc1ccccc1-c1ccc([C@H](C)NC(=O)C(C)(C)N)cc1 ZINC000262487407 203307274 /nfs/dbraw/zinc/30/72/74/203307274.db2.gz VBYHFBMCTXKOAO-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/12/48/63/197124863.db2.gz ZWYWHBRREKLFEX-GOSISDBHSA-N 0 3 306.413 3.432 50 0 DGAAHN CC(C)CN(CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000016074825 256526403 /nfs/dbraw/zinc/52/64/03/256526403.db2.gz AKGPYHXWYUAVIS-CRAIPNDOSA-N 0 3 323.481 3.059 50 0 DGAAHN Oc1ccc2c(c1)[C@H](NC[C@@H]1COc3ccccc3O1)CCC2 ZINC000323075799 400177212 /nfs/dbraw/zinc/17/72/12/400177212.db2.gz XPQWPIYCNQHZBM-NVXWUHKLSA-N 0 3 311.381 3.199 50 0 DGAAHN Cc1ccc(CN2CCC(CNC(=O)C[C@H]3C=CCC3)CC2)o1 ZINC000584897619 400123282 /nfs/dbraw/zinc/12/32/82/400123282.db2.gz PPMJEBGIFKWQJA-INIZCTEOSA-N 0 3 316.445 3.273 50 0 DGAAHN Cc1cccc([C@@H](NC(=O)CN2CCCCCCC2)C2CC2)n1 ZINC000584901403 400123550 /nfs/dbraw/zinc/12/35/50/400123550.db2.gz ZQDKXWXJWWNLKD-IBGZPJMESA-N 0 3 315.461 3.223 50 0 DGAAHN CCCN1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048411 400139780 /nfs/dbraw/zinc/13/97/80/400139780.db2.gz PIGLVPZWIWEUKT-LSDHHAIUSA-N 0 3 321.490 3.114 50 0 DGAAHN C[C@@H](NC(=O)NC1CCN(C)CC1)c1csc2ccccc21 ZINC000072268199 400376116 /nfs/dbraw/zinc/37/61/16/400376116.db2.gz YUXVSEWNVAUIEZ-GFCCVEGCSA-N 0 3 317.458 3.356 50 0 DGAAHN C[C@H](CCc1ccccc1)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000072273291 400376783 /nfs/dbraw/zinc/37/67/83/400376783.db2.gz JUQJOOCKDTUXNX-SJLPKXTDSA-N 0 3 302.462 3.103 50 0 DGAAHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CC(=O)N1CCCCCC1 ZINC000168221056 400757140 /nfs/dbraw/zinc/75/71/40/400757140.db2.gz ZNIQNNRUJOYQLZ-CHWSQXEVSA-N 0 3 307.438 3.123 50 0 DGAAHN CC1(C)Cc2cccc(CNC3CCN(CC(F)F)CC3)c2O1 ZINC000172628573 400835535 /nfs/dbraw/zinc/83/55/35/400835535.db2.gz DIFKMILGYQBCRL-UHFFFAOYSA-N 0 3 324.415 3.219 50 0 DGAAHN Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000245343841 401005141 /nfs/dbraw/zinc/00/51/41/401005141.db2.gz VZEHTFKFVMELPT-RYRKJORJSA-N 0 3 317.477 3.346 50 0 DGAAHN Cc1cccc(OCCCNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000248111906 401066607 /nfs/dbraw/zinc/06/66/07/401066607.db2.gz YCGWSMBUODOKPX-ZACQAIPSSA-N 0 3 318.461 3.141 50 0 DGAAHN C[C@@H]1CCC[C@H](NCc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 ZINC000089927320 401245926 /nfs/dbraw/zinc/24/59/26/401245926.db2.gz VZBBTZOZTRYFFU-WOPDTQHZSA-N 0 3 316.371 3.386 50 0 DGAAHN CCn1cc(-c2ccccc2)cc1C(=O)NCCN1CCCC1 ZINC000065170605 401260089 /nfs/dbraw/zinc/26/00/89/401260089.db2.gz TUQZAIQYAMBHGV-UHFFFAOYSA-N 0 3 311.429 3.001 50 0 DGAAHN Fc1ccccc1CCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000137565586 432178224 /nfs/dbraw/zinc/17/82/24/432178224.db2.gz HUKLZEVIPCBKOF-INIZCTEOSA-N 0 3 324.403 3.291 50 0 DGAAHN c1cn(CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cn1 ZINC000131768807 196197606 /nfs/dbraw/zinc/19/76/06/196197606.db2.gz MSLWHYTUFVKMBX-CQSZACIVSA-N 0 3 316.474 3.098 50 0 DGAAHN CCN(CC)CCOC(=O)c1c(C)oc2ccc(OC)cc21 ZINC000001906468 273636428 /nfs/dbraw/zinc/63/64/28/273636428.db2.gz HIWZFNBWDQSGOQ-UHFFFAOYSA-N 0 3 305.374 3.248 50 0 DGAAHN CN1CCN(c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000000018409 273899466 /nfs/dbraw/zinc/89/94/66/273899466.db2.gz OCEKOVHNNIVORN-UHFFFAOYSA-N 0 3 304.397 3.049 50 0 DGAAHN COc1cccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000006667473 274147855 /nfs/dbraw/zinc/14/78/55/274147855.db2.gz ZHLSBIJYYBPHBO-HXUWFJFHSA-N 0 3 322.452 3.375 50 0 DGAAHN C[C@@H](c1ccccn1)N(C)CCC(=O)N1CCc2ccccc2C1 ZINC000189140947 274278632 /nfs/dbraw/zinc/27/86/32/274278632.db2.gz XJOFQIHROGEJOA-INIZCTEOSA-N 0 3 323.440 3.049 50 0 DGAAHN CCN1CCC[C@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000534581051 430161755 /nfs/dbraw/zinc/16/17/55/430161755.db2.gz KRQVANSLTHWEAA-HNNXBMFYSA-N 0 3 300.381 3.179 50 0 DGAAHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCc1ccc(OC)cc1 ZINC000106902050 277368969 /nfs/dbraw/zinc/36/89/69/277368969.db2.gz RDABJEJOYXEODW-SZMVWBNQSA-N 0 3 317.429 3.044 50 0 DGAAHN CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C)c1ccccc1OC ZINC000108160010 431127206 /nfs/dbraw/zinc/12/72/06/431127206.db2.gz FSOYWSRXIMLBTH-RRFJBIMHSA-N 0 3 304.434 3.135 50 0 DGAAHN Cc1nc2sc3c(c2c(N2CCCN(C)CC2)n1)CCCC3 ZINC000000126604 431132207 /nfs/dbraw/zinc/13/22/07/431132207.db2.gz GAYHBLCRYYGTID-UHFFFAOYSA-N 0 3 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ZINC000010228871 431456950 /nfs/dbraw/zinc/45/69/50/431456950.db2.gz ITXBDYMDBXJUTJ-SFHVURJKSA-N 0 3 310.397 3.131 50 0 DGAAHN Cc1ccc([C@@H](CNC(=O)CCc2ccccc2)N(C)C)cc1 ZINC000010328881 431460942 /nfs/dbraw/zinc/46/09/42/431460942.db2.gz XCUHXEPOIOKXQP-LJQANCHMSA-N 0 3 310.441 3.347 50 0 DGAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000012593559 431518807 /nfs/dbraw/zinc/51/88/07/431518807.db2.gz OMPPTOMQPFZOON-MRXNPFEDSA-N 0 3 314.454 3.390 50 0 DGAAHN CCC(C)(C)NCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000012787373 431530002 /nfs/dbraw/zinc/53/00/02/431530002.db2.gz IYFZEEICDFOXOE-UHFFFAOYSA-N 0 3 318.396 3.037 50 0 DGAAHN Cc1ccc(CN2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012474921 431509323 /nfs/dbraw/zinc/50/93/23/431509323.db2.gz GFZFAZDCVHIPOI-CALCHBBNSA-N 0 3 302.462 3.069 50 0 DGAAHN CN(C)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 ZINC000014161787 431583466 /nfs/dbraw/zinc/58/34/66/431583466.db2.gz ZUYGSQPXFRAORF-UHFFFAOYSA-N 0 3 301.365 3.209 50 0 DGAAHN 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ZINC000005175990 181212890 /nfs/dbraw/zinc/21/28/90/181212890.db2.gz GINQYNXLFUPIHC-UHFFFAOYSA-N 0 3 308.425 3.389 50 0 DGAAHN CC(C)Oc1ccc([C@@H](CC(=O)NCCN(C)C)C(C)C)cc1 ZINC000005271256 181224971 /nfs/dbraw/zinc/22/49/71/181224971.db2.gz GMIKXXRLSLLYKQ-SFHVURJKSA-N 0 3 320.477 3.281 50 0 DGAAHN CCN1CCC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000005345336 181232335 /nfs/dbraw/zinc/23/23/35/181232335.db2.gz JIWJUFBYJVGTGE-ZDUSSCGKSA-N 0 3 305.809 3.035 50 0 DGAAHN C[C@H]1C[C@H](CN2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000170592991 432072739 /nfs/dbraw/zinc/07/27/39/432072739.db2.gz YSNNVNTUESHIOR-DOTOQJQBSA-N 0 3 322.880 3.273 50 0 DGAAHN COc1ccc2c(c1)[C@@H](NCCc1nc(C)no1)CCCS2 ZINC000188176059 200204263 /nfs/dbraw/zinc/20/42/63/200204263.db2.gz GFEDFXFIMNAYQE-AWEZNQCLSA-N 0 3 319.430 3.146 50 0 DGAAHN CC(=O)N(C)C1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000189808533 432092165 /nfs/dbraw/zinc/09/21/65/432092165.db2.gz QZVDNSJSFVELJO-CYBMUJFWSA-N 0 3 308.853 3.386 50 0 DGAAHN COc1cccc(C=O)c1OCCCN1C[C@H](C)C[C@H](C)C1 ZINC000006701184 181372922 /nfs/dbraw/zinc/37/29/22/181372922.db2.gz LCDJDLFCHXQJNR-GASCZTMLSA-N 0 3 305.418 3.255 50 0 DGAAHN Fc1cccnc1N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091575521 193074818 /nfs/dbraw/zinc/07/48/18/193074818.db2.gz WWSLRVJKIZDUOU-IAGOWNOFSA-N 0 3 311.404 3.322 50 0 DGAAHN C[C@@H](c1ccc(-c2cn(CCc3cccnc3)nn2)cc1)N(C)C ZINC000091593338 193076146 /nfs/dbraw/zinc/07/61/46/193076146.db2.gz UKRWBLAUSXUVBD-HNNXBMFYSA-N 0 3 321.428 3.205 50 0 DGAAHN O=C1[C@H]2CC[C@H](CN(c3ccnc4ccccc43)C2)N1CC1CC1 ZINC000091643388 193083687 /nfs/dbraw/zinc/08/36/87/193083687.db2.gz ALGQAGMMWXUWRE-JKSUJKDBSA-N 0 3 321.424 3.072 50 0 DGAAHN COCCC[C@@]1(CO)CCCN(C/C=C/c2ccccc2)C1 ZINC000091846025 193117397 /nfs/dbraw/zinc/11/73/97/193117397.db2.gz PQXYDISDEZIBGV-GSXXRBPTSA-N 0 3 303.446 3.201 50 0 DGAAHN CCC[C@]1(CO)CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000091859179 193119070 /nfs/dbraw/zinc/11/90/70/193119070.db2.gz PPADWOOZZCYSOS-KRWDZBQOSA-N 0 3 323.506 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O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCCC1 ZINC000020734032 182244946 /nfs/dbraw/zinc/24/49/46/182244946.db2.gz FEVVIWXZEIQLTQ-UHFFFAOYSA-N 0 3 320.436 3.330 50 0 DGAAHN c1[nH]c(-c2ccccc2)nc1CN1CCN(C2CCCC2)CC1 ZINC000022891530 182339175 /nfs/dbraw/zinc/33/91/75/182339175.db2.gz LSKKWSDEOMSNNR-UHFFFAOYSA-N 0 3 310.445 3.137 50 0 DGAAHN Cc1cccc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)n1 ZINC000023374667 182358276 /nfs/dbraw/zinc/35/82/76/182358276.db2.gz IUDICURRQBTOTJ-HXUWFJFHSA-N 0 3 309.457 3.486 50 0 DGAAHN Cc1cc(C)cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 ZINC000023372952 182358769 /nfs/dbraw/zinc/35/87/69/182358769.db2.gz JVHAQGYVEAIXAE-FQEVSTJZSA-N 0 3 316.489 3.115 50 0 DGAAHN CC[C@H](NCCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 ZINC000039975603 183025762 /nfs/dbraw/zinc/02/57/62/183025762.db2.gz JWYSGZWMCNTIMR-HNNXBMFYSA-N 0 3 317.389 3.061 50 0 DGAAHN CSc1ccccc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 ZINC000040107573 183036435 /nfs/dbraw/zinc/03/64/35/183036435.db2.gz MJKYGBUBLWJEDC-KBPBESRZSA-N 0 3 306.475 3.116 50 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50 0 DGAAHN Cn1c2ncccc2nc1[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000065285296 184321179 /nfs/dbraw/zinc/32/11/79/184321179.db2.gz MZRGIHJAFFDJNP-AWEZNQCLSA-N 0 3 310.376 3.097 50 0 DGAAHN Cc1cccc(NC(=O)CN[C@H](C)CCc2ccco2)c1C ZINC000065371625 184329788 /nfs/dbraw/zinc/32/97/88/184329788.db2.gz SIFQEYCWHYOPDE-CQSZACIVSA-N 0 3 300.402 3.446 50 0 DGAAHN CCOC1CCN(CCC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000065371479 184330075 /nfs/dbraw/zinc/33/00/75/184330075.db2.gz OVPUQGQOMZCXJC-UHFFFAOYSA-N 0 3 324.852 3.478 50 0 DGAAHN Cc1ncsc1CN(Cc1ccccc1)C[C@H]1CCOC1 ZINC000065381555 184332081 /nfs/dbraw/zinc/33/20/81/184332081.db2.gz SXEMPNVKMLENSZ-MRXNPFEDSA-N 0 3 302.443 3.490 50 0 DGAAHN CCc1ccccc1OCCN1CC[C@@H](n2nc(C)cc2C)C1 ZINC000065428028 184343331 /nfs/dbraw/zinc/34/33/31/184343331.db2.gz YERVJEGRMBEWQM-GOSISDBHSA-N 0 3 313.445 3.388 50 0 DGAAHN C[C@@H]1C[C@H](N(C)Cc2cnns2)CCN1Cc1ccccc1 ZINC000289951468 221337268 /nfs/dbraw/zinc/33/72/68/221337268.db2.gz HYJXAMNXWZTSAS-GDBMZVCRSA-N 0 3 316.474 3.023 50 0 DGAAHN Cc1cn(-c2cncc(-c3cccc(OCCN(C)C)c3)c2)cn1 ZINC000521398328 257234815 /nfs/dbraw/zinc/23/48/15/257234815.db2.gz OJKOKIMLEQVSLD-UHFFFAOYSA-N 0 3 322.412 3.183 50 0 DGAAHN COc1ccc(C(=O)Cn2cc(Cl)c(=N)c(Cl)c2)cc1 ZINC000334157751 257261836 /nfs/dbraw/zinc/26/18/36/257261836.db2.gz AHCVPPCTVOPHGY-UHFFFAOYSA-N 0 3 311.168 3.166 50 0 DGAAHN Cc1cc(C2CCC2)nc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000071762706 257270400 /nfs/dbraw/zinc/27/04/00/257270400.db2.gz USSJLJVRYMIVJU-GOSISDBHSA-N 0 3 308.429 3.203 50 0 DGAAHN CC[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000090920346 400082277 /nfs/dbraw/zinc/08/22/77/400082277.db2.gz ASTYGFPEHHNYBQ-SFHVURJKSA-N 0 3 309.417 3.062 50 0 DGAAHN C[C@H](NC1CCN(c2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000584890871 400122225 /nfs/dbraw/zinc/12/22/25/400122225.db2.gz KWDZLBAWSYCPGS-ZDUSSCGKSA-N 0 3 318.852 3.393 50 0 DGAAHN CC[C@H](Cn1cnc2c(Cl)ccc(Cl)c2c1=O)N(C)C ZINC000584901600 400124176 /nfs/dbraw/zinc/12/41/76/400124176.db2.gz CDCHINHKCCACNJ-SECBINFHSA-N 0 3 314.216 3.044 50 0 DGAAHN CCCCc1ncc(CN2CCC(Oc3ccncc3)CC2)[nH]1 ZINC000584902493 400124585 /nfs/dbraw/zinc/12/45/85/400124585.db2.gz MHCDNGUIJFYQAQ-UHFFFAOYSA-N 0 3 314.433 3.191 50 0 DGAAHN O=c1cc(CN2CCC(OCc3ccccc3F)CC2)cc[nH]1 ZINC000585136431 400127761 /nfs/dbraw/zinc/12/77/61/400127761.db2.gz FSCDGUARSVGCRP-UHFFFAOYSA-N 0 3 316.376 3.108 50 0 DGAAHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)F)CCN1Cc1ccccc1 ZINC000092354881 400168522 /nfs/dbraw/zinc/16/85/22/400168522.db2.gz ULTWBMROEDROAQ-GOEBONIOSA-N 0 3 306.425 3.246 50 0 DGAAHN O=C(c1ccc[nH]1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000106638379 400329200 /nfs/dbraw/zinc/32/92/00/400329200.db2.gz VFHOLZJMMSXFPZ-RTBURBONSA-N 0 3 323.440 3.284 50 0 DGAAHN Cc1nccn1C[C@H]1CCCN(Cc2nc(C)n3ccccc23)C1 ZINC000072123985 400374582 /nfs/dbraw/zinc/37/45/82/400374582.db2.gz KJGVKMOIEMECNW-KRWDZBQOSA-N 0 3 323.444 3.060 50 0 DGAAHN COc1ccccc1-c1nnc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000162408759 400745366 /nfs/dbraw/zinc/74/53/66/400745366.db2.gz CRWYEIAFULYWPF-JSGCOSHPSA-N 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/nfs/dbraw/zinc/16/33/95/432163395.db2.gz ZAGNCWIRSNRLBU-GOEBONIOSA-N 0 3 305.466 3.061 50 0 DGAAHN CN1CCC[C@@H](CNC(=O)c2cscn2)[C@@H]1c1cccs1 ZINC000129771470 196074606 /nfs/dbraw/zinc/07/46/06/196074606.db2.gz BPXZSCXBQFQQSB-SMDDNHRTSA-N 0 3 321.471 3.018 50 0 DGAAHN O=C([C@H]1CCCN1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000095369315 275008124 /nfs/dbraw/zinc/00/81/24/275008124.db2.gz LGMWREIOQWISTR-HXUWFJFHSA-N 0 3 320.436 3.236 50 0 DGAAHN C/C(=C\c1ccccc1)[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007125588 275401110 /nfs/dbraw/zinc/40/11/10/275401110.db2.gz YSUVMVPFDVAORU-PCUGXKRQSA-N 0 3 303.369 3.188 50 0 DGAAHN CC(=O)N[C@@H]1CN(c2cc(C)nc3ccccc32)C[C@H]1C(C)C ZINC000077486682 275484922 /nfs/dbraw/zinc/48/49/22/275484922.db2.gz LHEUJDGKGXIPIV-FUHWJXTLSA-N 0 3 311.429 3.140 50 0 DGAAHN CCN(C(=O)c1ccncc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106630829 276064604 /nfs/dbraw/zinc/06/46/04/276064604.db2.gz KOEHSYLEWCJSAR-APWZRJJASA-N 0 3 323.440 3.379 50 0 DGAAHN C[C@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000170062311 278173929 /nfs/dbraw/zinc/17/39/29/278173929.db2.gz RBUMWEATONXZAT-CGSMKXTHSA-N 0 3 307.459 3.180 50 0 DGAAHN C[C@@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000170062308 278233650 /nfs/dbraw/zinc/23/36/50/278233650.db2.gz RBUMWEATONXZAT-YHQOMNDMSA-N 0 3 307.459 3.180 50 0 DGAAHN C[C@@H](Cn1cncn1)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000097034473 278302134 /nfs/dbraw/zinc/30/21/34/278302134.db2.gz BCGZDQBKUYFISC-QWRGUYRKSA-N 0 3 304.781 3.417 50 0 DGAAHN Cc1ccc([C@H]2SCC(=O)N2CCN2CCCCC2)cc1 ZINC000000072766 431118691 /nfs/dbraw/zinc/11/86/91/431118691.db2.gz SNOJDAANBYTPRC-QGZVFWFLSA-N 0 3 304.459 3.055 50 0 DGAAHN CC(C)C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000096476808 279003753 /nfs/dbraw/zinc/00/37/53/279003753.db2.gz INFSKTHEUGYCAY-DZGCQCFKSA-N 0 3 315.383 3.395 50 0 DGAAHN CCN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C)c2)CC1 ZINC000069178887 431166728 /nfs/dbraw/zinc/16/67/28/431166728.db2.gz SIGUNHWDRRIPKC-UHFFFAOYSA-N 0 3 303.450 3.122 50 0 DGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1F ZINC000000345129 431167915 /nfs/dbraw/zinc/16/79/15/431167915.db2.gz MKPUKJMUGJQSHO-UHFFFAOYSA-N 0 3 312.388 3.220 50 0 DGAAHN CCN1CCC(NC(=O)/C=C(/C)CCc2ccccc2)CC1 ZINC000069415490 431182336 /nfs/dbraw/zinc/18/23/36/431182336.db2.gz STAVUZURFHZWTF-NXVVXOECSA-N 0 3 300.446 3.166 50 0 DGAAHN C[C@H]([C@H](C)NCc1c[nH]nc1-c1ccc(F)cc1)n1cccn1 ZINC000069418021 431183145 /nfs/dbraw/zinc/18/31/45/431183145.db2.gz WITUHJXCXMWRDI-QWHCGFSZSA-N 0 3 313.380 3.152 50 0 DGAAHN C[C@H](CCc1ccccc1)CC(=O)N(C)C1CCN(C)CC1 ZINC000069420613 431186752 /nfs/dbraw/zinc/18/67/52/431186752.db2.gz RRSJELXAZVCGII-MRXNPFEDSA-N 0 3 302.462 3.198 50 0 DGAAHN Cc1n[nH]c(C)c1NC(=O)CN(CC1CC1)C1CCCCC1 ZINC000069608119 431202986 /nfs/dbraw/zinc/20/29/86/431202986.db2.gz MJXLNKOXEMCEMH-UHFFFAOYSA-N 0 3 304.438 3.010 50 0 DGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C ZINC000069872373 431228473 /nfs/dbraw/zinc/22/84/73/431228473.db2.gz FYPVPNGQKGWZRX-CABCVRRESA-N 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50 0 DGAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2ccccc2n1 ZINC000006992400 431326593 /nfs/dbraw/zinc/32/65/93/431326593.db2.gz AZBCYUVEUFOULE-UHFFFAOYSA-N 0 3 319.408 3.226 50 0 DGAAHN CN(Cc1nc2ccccc2[nH]1)C[C@H]1Cc2ccccc2CN1C ZINC000072158960 431330955 /nfs/dbraw/zinc/33/09/55/431330955.db2.gz NZLMPTJCASKKAQ-QGZVFWFLSA-N 0 3 320.440 3.051 50 0 DGAAHN CCCCN1CCc2nc[nH]c2[C@@H]1c1ccc(-n2ccnc2)cc1 ZINC000072411588 431335875 /nfs/dbraw/zinc/33/58/75/431335875.db2.gz WPYOVHSNSOTOMR-IBGZPJMESA-N 0 3 321.428 3.343 50 0 DGAAHN Cc1cccc2c(=O)c(CN(C)C3CCN(C)CC3)c(C)[nH]c12 ZINC000008911506 431418066 /nfs/dbraw/zinc/41/80/66/431418066.db2.gz ICMLQTCESOZVLB-UHFFFAOYSA-N 0 3 313.445 3.083 50 0 DGAAHN Cc1sc2ncnc(N(C)[C@H]3CCN(C)C[C@@H]3C)c2c1C ZINC000075105838 431454644 /nfs/dbraw/zinc/45/46/44/431454644.db2.gz SMXHBZICMASRAO-GWCFXTLKSA-N 0 3 304.463 3.085 50 0 DGAAHN Cc1ccccc1CN1CCN(c2ncnc3ccccc32)CC1 ZINC000012745275 431524430 /nfs/dbraw/zinc/52/44/30/431524430.db2.gz VEKUKOSLWNATKD-UHFFFAOYSA-N 0 3 318.424 3.260 50 0 DGAAHN COc1ccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012773678 431525863 /nfs/dbraw/zinc/52/58/63/431525863.db2.gz WSHWHGAFGMRJEG-GOSISDBHSA-N 0 3 310.397 3.131 50 0 DGAAHN CC(C)CCN1C(=O)CC[C@H]1CCNCc1ccccc1F ZINC000012041078 431491366 /nfs/dbraw/zinc/49/13/66/431491366.db2.gz JRKIPAXDZOAZFJ-INIZCTEOSA-N 0 3 306.425 3.343 50 0 DGAAHN C[C@H](NC(=O)C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000012383839 431507036 /nfs/dbraw/zinc/50/70/36/431507036.db2.gz INUZTRBKMODGOA-INIZCTEOSA-N 0 3 323.440 3.171 50 0 DGAAHN COc1cccc(C(=O)[C@H]2CCCN(C3CCSCC3)C2)c1 ZINC000012465537 431510105 /nfs/dbraw/zinc/51/01/05/431510105.db2.gz QIRQHQPJAKRNMU-HNNXBMFYSA-N 0 3 319.470 3.486 50 0 DGAAHN CCCn1ccc2ccc(NC(=O)NC3CCN(C)CC3)cc21 ZINC000076328068 431539318 /nfs/dbraw/zinc/53/93/18/431539318.db2.gz ITJGTOTUZNAGHE-UHFFFAOYSA-N 0 3 314.433 3.267 50 0 DGAAHN Cc1ccsc1-c1nccn1[C@H]1COC[C@@H]1N1CCCCC1 ZINC000077323726 431585759 /nfs/dbraw/zinc/58/57/59/431585759.db2.gz KSVPEVYPGUXQBV-GJZGRUSLSA-N 0 3 317.458 3.346 50 0 DGAAHN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCCCCC1 ZINC000025408004 431654947 /nfs/dbraw/zinc/65/49/47/431654947.db2.gz CLFSAWKKFFBMKJ-HNNXBMFYSA-N 0 3 313.445 3.091 50 0 DGAAHN O[C@@H](CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000019939947 431622469 /nfs/dbraw/zinc/62/24/69/431622469.db2.gz PZKBVQZFRLKVQZ-FQEVSTJZSA-N 0 3 321.424 3.024 50 0 DGAAHN CC(=O)Nc1ccc(CCNCc2c(F)cccc2F)cc1 ZINC000078411699 431666991 /nfs/dbraw/zinc/66/69/91/431666991.db2.gz GMGRCUDFUSLCNT-UHFFFAOYSA-N 0 3 304.340 3.256 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)c1cccc(C)n1)c1ccccc1 ZINC000027088059 431682518 /nfs/dbraw/zinc/68/25/18/431682518.db2.gz RWCCCULBVYQCCD-SFHVURJKSA-N 0 3 311.429 3.203 50 0 DGAAHN c1cc(CN2CCCCC2)cc(-c2noc(-c3cnccn3)n2)c1 ZINC000078774534 431708579 /nfs/dbraw/zinc/70/85/79/431708579.db2.gz SWFRXQBGSZXYTC-UHFFFAOYSA-N 0 3 321.384 3.180 50 0 DGAAHN CCCN1CCCN(C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000078394543 431663323 /nfs/dbraw/zinc/66/33/23/431663323.db2.gz FYAKVZXUTDAOTO-UHFFFAOYSA-N 0 3 311.429 3.101 50 0 DGAAHN Cc1cccn2c(=O)cc(CN3CC[C@H]4CCCC[C@@H]4C3)nc12 ZINC000032511176 431782872 /nfs/dbraw/zinc/78/28/72/431782872.db2.gz MPTQRAIMBWSTCP-HZPDHXFCSA-N 0 3 311.429 3.015 50 0 DGAAHN COC[C@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000089409932 431864933 /nfs/dbraw/zinc/86/49/33/431864933.db2.gz GVYYTXWDAVHTAW-HKUYNNGSSA-N 0 3 319.445 3.103 50 0 DGAAHN CSC[C@@H](CCO)NCc1ccc(Cl)c2cccnc12 ZINC000089493434 431868140 /nfs/dbraw/zinc/86/81/40/431868140.db2.gz HLODNHMYSIDFBN-GFCCVEGCSA-N 0 3 310.850 3.092 50 0 DGAAHN Cc1cc([C@@H](C)NC(=O)N2CC[C@H](N3CCCC3)C2)c(C)s1 ZINC000089582344 431870341 /nfs/dbraw/zinc/87/03/41/431870341.db2.gz NXLSNWPXICPBOX-HIFRSBDPSA-N 0 3 321.490 3.306 50 0 DGAAHN Cc1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1 ZINC000089599030 431872178 /nfs/dbraw/zinc/87/21/78/431872178.db2.gz PRKSZJHTIRGYNU-DYVFJYSZSA-N 0 3 319.836 3.285 50 0 DGAAHN Cc1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)[nH]n1 ZINC000089599030 431872181 /nfs/dbraw/zinc/87/21/81/431872181.db2.gz 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/nfs/dbraw/zinc/89/73/04/431897304.db2.gz VEZQMPVFBXSPJK-UAGQMJEPSA-N 0 3 316.470 3.034 50 0 DGAAHN CSc1ccccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000046953070 431903371 /nfs/dbraw/zinc/90/33/71/431903371.db2.gz CBZLHTBNBZYFFM-KGLIPLIRSA-N 0 3 306.475 3.259 50 0 DGAAHN O=C(CCN1CCC[C@@H](O)C1)Nc1ccccc1-c1ccccc1 ZINC000054423977 431971239 /nfs/dbraw/zinc/97/12/39/431971239.db2.gz UGFOKDGICGSWQQ-QGZVFWFLSA-N 0 3 324.424 3.139 50 0 DGAAHN Cc1ccccc1CC1(NC(=O)[C@@H]2CCCCCN2C)CC1 ZINC000097604274 431972589 /nfs/dbraw/zinc/97/25/89/431972589.db2.gz WZDWHIOJGLZSDC-KRWDZBQOSA-N 0 3 300.446 3.061 50 0 DGAAHN Cc1cccc(C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000055098807 431976607 /nfs/dbraw/zinc/97/66/07/431976607.db2.gz QQNLLNYCNFGUCJ-UHFFFAOYSA-N 0 3 302.443 3.261 50 0 DGAAHN COC(=O)[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OC ZINC000095941287 431926933 /nfs/dbraw/zinc/92/69/33/431926933.db2.gz KNWOZMKRXGWWER-UONOGXRCSA-N 0 3 311.809 3.170 50 0 DGAAHN CC(C)n1cc([C@H](C)NC[C@]2(O)CCCc3ccccc32)cn1 ZINC000095967852 431929254 /nfs/dbraw/zinc/92/92/54/431929254.db2.gz XTXPPEICVCQWLD-HNAYVOBHSA-N 0 3 313.445 3.339 50 0 DGAAHN Cc1ncc([C@@H](C)N[C@H](C)COc2ccc(F)cc2)c(C)n1 ZINC000095967390 431929317 /nfs/dbraw/zinc/92/93/17/431929317.db2.gz NWGROKZJMITEEY-VXGBXAGGSA-N 0 3 303.381 3.351 50 0 DGAAHN OCc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000095982387 431932157 /nfs/dbraw/zinc/93/21/57/431932157.db2.gz GXZSFTPODAKSSS-CYBMUJFWSA-N 0 3 311.385 3.028 50 0 DGAAHN Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000095988584 431932603 /nfs/dbraw/zinc/93/26/03/431932603.db2.gz PAPYFBBALJDCJH-IAGOWNOFSA-N 0 3 304.340 3.288 50 0 DGAAHN CO[C@@H]1[C@H](C)[C@H](NCc2nc3ccc(Cl)cc3n2C)C1(C)C ZINC000095989223 431932915 /nfs/dbraw/zinc/93/29/15/431932915.db2.gz OTTKKFMDDJIDBM-HPEXNQPKSA-N 0 3 321.852 3.376 50 0 DGAAHN COc1ccc(Cl)c(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000096005865 431933527 /nfs/dbraw/zinc/93/35/27/431933527.db2.gz DYLBCJNCOPHXMF-UHFFFAOYSA-N 0 3 313.829 3.153 50 0 DGAAHN CCc1nc(C)c([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)s1 ZINC000125716131 431934758 /nfs/dbraw/zinc/93/47/58/431934758.db2.gz JBTCPBOOBVQZDM-KOLCDFICSA-N 0 3 321.412 3.301 50 0 DGAAHN Cc1ccsc1CN(CC[NH+](C)C)Cc1nc(C)ccc1[O-] ZINC000055357822 431979959 /nfs/dbraw/zinc/97/99/59/431979959.db2.gz JEWOAXGDGMAMIG-UHFFFAOYSA-N 0 3 319.474 3.029 50 0 DGAAHN FC(F)(F)c1c[nH]c(C2CCN(Cc3cccnc3)CC2)n1 ZINC000096424540 431947765 /nfs/dbraw/zinc/94/77/65/431947765.db2.gz POCHYZUORUQPGH-UHFFFAOYSA-N 0 3 310.323 3.203 50 0 DGAAHN CC(C)N(Cc1ccn(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000096443443 431950374 /nfs/dbraw/zinc/95/03/74/431950374.db2.gz WRPDSZPTSCSMTF-UHFFFAOYSA-N 0 3 317.408 3.401 50 0 DGAAHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(Br)s1 ZINC000096478193 431953041 /nfs/dbraw/zinc/95/30/41/431953041.db2.gz LAKLVMFWLRGXAG-DTWKUNHWSA-N 0 3 324.309 3.275 50 0 DGAAHN COc1ccc([C@H](C)NCCn2ccnc2)c(Br)c1 ZINC000096493332 431953515 /nfs/dbraw/zinc/95/35/15/431953515.db2.gz BTQGBKKBKGUEAK-NSHDSACASA-N 0 3 324.222 3.005 50 0 DGAAHN Cc1nn(-c2ccccc2)cc1CN(C[C@H]1CCOC1)C1CC1 ZINC000096489697 431953606 /nfs/dbraw/zinc/95/36/06/431953606.db2.gz RWRFTZVITDZVRB-MRXNPFEDSA-N 0 3 311.429 3.182 50 0 DGAAHN COCCOC[C@@H]1CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000097085974 431960410 /nfs/dbraw/zinc/96/04/10/431960410.db2.gz POQYNAHPHGLEEG-MRXNPFEDSA-N 0 3 314.429 3.341 50 0 DGAAHN Cc1ncc(CN2CC[C@@H](CNc3cccc(C)n3)C2)s1 ZINC000097200547 431963918 /nfs/dbraw/zinc/96/39/18/431963918.db2.gz VJVVNOGXZIPLJK-AWEZNQCLSA-N 0 3 302.447 3.089 50 0 DGAAHN Cc1ncc(CN2CC[C@H](CNc3cc(C)ccn3)C2)s1 ZINC000097200810 431964260 /nfs/dbraw/zinc/96/42/60/431964260.db2.gz UNYVGTDKUPXPCX-CQSZACIVSA-N 0 3 302.447 3.089 50 0 DGAAHN Cc1ccc2[nH]c3c(ncn(CCN4CCCC[C@@H]4C)c3=O)c2c1 ZINC000005152209 281037765 /nfs/dbraw/zinc/03/77/65/281037765.db2.gz ZEXRTZGYBKEBEQ-AWEZNQCLSA-N 0 3 324.428 3.061 50 0 DGAAHN C[C@@H](C[C@H](O)c1ccco1)NCc1ccc(Br)o1 ZINC000191515360 432273314 /nfs/dbraw/zinc/27/33/14/432273314.db2.gz LNIHLKGQTBWNRP-ONGXEEELSA-N 0 3 314.179 3.237 50 0 DGAAHN O=C(Nc1ccccc1Cl)N1CCC(N2CC=CC2)CC1 ZINC000102681351 431996736 /nfs/dbraw/zinc/99/67/36/431996736.db2.gz VBDWXAFINRLIFN-UHFFFAOYSA-N 0 3 305.809 3.208 50 0 DGAAHN CCc1nc(CN[C@H]2CCc3c(cccc3OC)C2)cs1 ZINC000192442196 432374590 /nfs/dbraw/zinc/37/45/90/432374590.db2.gz NPAKQPCNROJCGL-ZDUSSCGKSA-N 0 3 302.443 3.361 50 0 DGAAHN CCc1nc2ccccc2c(N2CCC(C(=O)NC)CC2)c1C ZINC000253419914 432391818 /nfs/dbraw/zinc/39/18/18/432391818.db2.gz MZMNIVKHAAUDSN-UHFFFAOYSA-N 0 3 311.429 3.068 50 0 DGAAHN Cn1ncnc1CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253416749 432395570 /nfs/dbraw/zinc/39/55/70/432395570.db2.gz PHPDGFUUOQYDAC-UONOGXRCSA-N 0 3 324.350 3.260 50 0 DGAAHN CSc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1C ZINC000253426211 432396026 /nfs/dbraw/zinc/39/60/26/432396026.db2.gz NVXOILWODNTFGG-ZFWWWQNUSA-N 0 3 319.474 3.275 50 0 DGAAHN Cc1ccc(/C=C\C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)o1 ZINC000254577548 432403283 /nfs/dbraw/zinc/40/32/83/432403283.db2.gz NVNNUAOEJRWJSQ-LWRVRWKQSA-N 0 3 324.424 3.238 50 0 DGAAHN COc1cc(C)c(CN(C)CCn2ccnc2)cc1C(C)C ZINC000216110528 432647703 /nfs/dbraw/zinc/64/77/03/432647703.db2.gz HNMDAVQQEUKKIR-UHFFFAOYSA-N 0 3 301.434 3.456 50 0 DGAAHN COc1ccc2oc(CN3CCC[C@H]3Cn3ccnc3)cc2c1 ZINC000195573501 432628629 /nfs/dbraw/zinc/62/86/29/432628629.db2.gz NLLGOAZKRSPCDJ-HNNXBMFYSA-N 0 3 311.385 3.303 50 0 DGAAHN Cc1ncccc1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000215830434 432645768 /nfs/dbraw/zinc/64/57/68/432645768.db2.gz LSIQNUUCWSIWID-IBGZPJMESA-N 0 3 323.440 3.347 50 0 DGAAHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc2c(c1)CN(C)C2 ZINC000216145030 432646373 /nfs/dbraw/zinc/64/63/73/432646373.db2.gz USHMPCMXNMFCLK-UHFFFAOYSA-N 0 3 312.461 3.285 50 0 DGAAHN CN(Cc1cnn(-c2cccc(F)c2)c1)[C@H]1CCOC(C)(C)C1 ZINC000216101540 432646713 /nfs/dbraw/zinc/64/67/13/432646713.db2.gz DNRSPONCXFTKQC-KRWDZBQOSA-N 0 3 317.408 3.401 50 0 DGAAHN CC[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1ccncc1 ZINC000218807823 432660296 /nfs/dbraw/zinc/66/02/96/432660296.db2.gz PIWHKLWTVOGQFJ-INIZCTEOSA-N 0 3 301.434 3.058 50 0 DGAAHN Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H]1Cn1ccnc1 ZINC000188409440 432723996 /nfs/dbraw/zinc/72/39/96/432723996.db2.gz OGOWBORSPNYYBX-LJQANCHMSA-N 0 3 321.428 3.042 50 0 DGAAHN COc1cnccc1[C@H](C)NC1CCN(c2ccccc2)CC1 ZINC000188769213 432746013 /nfs/dbraw/zinc/74/60/13/432746013.db2.gz MFURIWNOQRAOAR-HNNXBMFYSA-N 0 3 311.429 3.410 50 0 DGAAHN O=C(CCN1CCC[C@@H]1c1ccccn1)Nc1cccc(F)c1 ZINC000244701282 432822868 /nfs/dbraw/zinc/82/28/68/432822868.db2.gz KDGRVQRCHRPFML-QGZVFWFLSA-N 0 3 313.376 3.386 50 0 DGAAHN Cc1cc(-c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ccn1 ZINC000426361148 433472025 /nfs/dbraw/zinc/47/20/25/433472025.db2.gz CIAHBBRWMZBZCC-UHFFFAOYSA-N 0 3 323.440 3.223 50 0 DGAAHN C[C@H](c1cccc(-c2nc(N(C)C)ns2)c1)N1CCCC1 ZINC000426537737 433528682 /nfs/dbraw/zinc/52/86/82/433528682.db2.gz SFWXKUPIZWKMJK-GFCCVEGCSA-N 0 3 302.447 3.428 50 0 DGAAHN COc1cc([C@H](C)NC[C@H](CCO)c2ccccc2)c(F)cn1 ZINC000287631386 434416694 /nfs/dbraw/zinc/41/66/94/434416694.db2.gz 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/nfs/dbraw/zinc/48/78/58/660487858.db2.gz SUKKGSROUQBRRK-GOSISDBHSA-N 0 3 313.445 3.005 50 0 DGAAHN Cc1cccc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 ZINC000011843994 660498610 /nfs/dbraw/zinc/49/86/10/660498610.db2.gz ZUSVWMSCEHVQSY-GOSISDBHSA-N 0 3 312.388 3.025 50 0 DGAAHN Cc1nc2cc(CNCc3cc(CC(C)C)[nH]n3)ccc2n1C ZINC000952979697 662209850 /nfs/dbraw/zinc/20/98/50/662209850.db2.gz RFPXCGMHULJNCD-UHFFFAOYSA-N 0 3 311.433 3.093 50 0 DGAAHN Cc1n[nH]c(CN[C@@H]2CCCN(Cc3cccs3)C2)c1Cl ZINC000952978556 662210001 /nfs/dbraw/zinc/21/00/01/662210001.db2.gz RRGULKBKFDOXIV-GFCCVEGCSA-N 0 3 324.881 3.187 50 0 DGAAHN Cc1cc(C)n(C[C@@H](C)N(C)Cc2ccc3nsnc3c2)n1 ZINC001506428118 1186227562 /nfs/dbraw/zinc/22/75/62/1186227562.db2.gz WVOVTGKCLJSQRM-CYBMUJFWSA-N 0 3 315.446 3.025 50 0 DGAAHN CCc1cnc(C)nc1NC[C@H](c1ccco1)N(CC)CC ZINC001529158803 1187537563 /nfs/dbraw/zinc/53/75/63/1187537563.db2.gz MMOYNGQELBQKBT-OAHLLOKOSA-N 0 3 302.422 3.435 50 0 DGAAHN N#Cc1ccccc1CN1CCCN(Cc2cccs2)CC1 ZINC000030210566 1193881882 /nfs/dbraw/zinc/88/18/82/1193881882.db2.gz JFZIOWMRCRTJLD-UHFFFAOYSA-N 0 3 311.454 3.328 50 0 DGAAHN CC[C@H](C(=O)NCc1c(OC)ccc2ccccc21)N(C)CC ZINC000822555078 1091665162 /nfs/dbraw/zinc/66/51/62/1091665162.db2.gz KJMBUUGCAFBAGJ-QGZVFWFLSA-N 0 3 314.429 3.195 50 0 DGAAHN O=C(NCCN1CCCC1)Nc1cccc(C(F)(F)F)c1F ZINC000095502665 185374967 /nfs/dbraw/zinc/37/49/67/185374967.db2.gz SHSWZPZIHRCGLQ-UHFFFAOYSA-N 0 3 319.302 3.062 50 0 DGAAHN Cc1ccc(NC(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000079064391 185152062 /nfs/dbraw/zinc/15/20/62/185152062.db2.gz DYTFFNQWRCDKLN-HZPDHXFCSA-N 0 3 319.449 3.006 50 0 DGAAHN Cc1ccc(CCC(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000079071213 185153733 /nfs/dbraw/zinc/15/37/33/185153733.db2.gz XHHFHFFPWBLFES-UHFFFAOYSA-N 0 3 314.429 3.111 50 0 DGAAHN CN(CCCNC(=O)/C=C\c1cccs1)Cc1ccccc1 ZINC000096943920 185393571 /nfs/dbraw/zinc/39/35/71/185393571.db2.gz MXMAYLDUGOGNSL-KHPPLWFESA-N 0 3 314.454 3.400 50 0 DGAAHN CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1 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ZINC000095415534 185358681 /nfs/dbraw/zinc/35/86/81/185358681.db2.gz MURDABJJTHXTMO-DOTOQJQBSA-N 0 3 320.433 3.110 50 0 DGAAHN Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)s1 ZINC000097017342 185397530 /nfs/dbraw/zinc/39/75/30/185397530.db2.gz KKVDOIGYEGFFOO-ZFWWWQNUSA-N 0 3 306.475 3.498 50 0 DGAAHN C[C@H](NC(=O)c1cc2cc(F)ccc2s1)C1=CCN(C)CC1 ZINC000095469067 185372490 /nfs/dbraw/zinc/37/24/90/185372490.db2.gz GDRDVDRGKQSCFU-NSHDSACASA-N 0 3 318.417 3.421 50 0 DGAAHN COc1ccc(CNC[C@@H](C)Oc2ccccn2)cc1Cl ZINC000095472029 185372542 /nfs/dbraw/zinc/37/25/42/185372542.db2.gz BWHTXUCMKWQCDJ-GFCCVEGCSA-N 0 3 306.793 3.301 50 0 DGAAHN C[C@@H](NCc1cnc2ccnn2c1)c1ccc2c(c1)CCCC2 ZINC000058342412 190691263 /nfs/dbraw/zinc/69/12/63/190691263.db2.gz YXBAZWCKEKKDCG-CQSZACIVSA-N 0 3 306.413 3.459 50 0 DGAAHN Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000055748997 282378054 /nfs/dbraw/zinc/37/80/54/282378054.db2.gz SGECJZIECLHGFB-MELADBBJSA-N 0 3 321.465 3.203 50 0 DGAAHN 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CC(C)NC(=O)CN1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072167508 191066326 /nfs/dbraw/zinc/06/63/26/191066326.db2.gz KWABRXRSOKFFMG-OAHLLOKOSA-N 0 3 324.415 3.134 50 0 DGAAHN Cc1ccc(C)c(OC2CCN(CCc3ccnn3C)CC2)c1 ZINC000253393157 186303604 /nfs/dbraw/zinc/30/36/04/186303604.db2.gz VDRCBAJSUYDUDL-UHFFFAOYSA-N 0 3 313.445 3.123 50 0 DGAAHN CCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1C ZINC000072944330 191254718 /nfs/dbraw/zinc/25/47/18/191254718.db2.gz WFOXYQTVLJIJLG-CVEARBPZSA-N 0 3 317.433 3.094 50 0 DGAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(-n2cncn2)cc1 ZINC000067688742 432036594 /nfs/dbraw/zinc/03/65/94/432036594.db2.gz QYKPSPWXFIYYMK-KRWDZBQOSA-N 0 3 323.400 3.209 50 0 DGAAHN Cc1cccn2c(CN[C@H]3CCN(Cc4ccccc4)C3)cnc12 ZINC000067771332 432039615 /nfs/dbraw/zinc/03/96/15/432039615.db2.gz FRCZYIKAPJVMBV-SFHVURJKSA-N 0 3 320.440 3.007 50 0 DGAAHN CN1CCC[C@H](CNC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000067803784 432040427 /nfs/dbraw/zinc/04/04/27/432040427.db2.gz CEPLRUNZFJKOEG-CQSZACIVSA-N 0 3 314.385 3.144 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0 DGAAHN CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCN(C)CC1 ZINC000005446842 181244850 /nfs/dbraw/zinc/24/48/50/181244850.db2.gz VPBAKDUMLHRTMB-UHFFFAOYSA-N 0 3 301.217 3.160 50 0 DGAAHN C[C@@H]1C[C@@H](CN2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000170592992 432072873 /nfs/dbraw/zinc/07/28/73/432072873.db2.gz YSNNVNTUESHIOR-WBVHZDCISA-N 0 3 322.880 3.273 50 0 DGAAHN CCCN(Cc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036100247 283295208 /nfs/dbraw/zinc/29/52/08/283295208.db2.gz JEFBMBKTBXBXRN-INIZCTEOSA-N 0 3 309.450 3.083 50 0 DGAAHN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000005912037 181295667 /nfs/dbraw/zinc/29/56/67/181295667.db2.gz IUTJVXMQOKJXEE-XJKSGUPXSA-N 0 3 305.805 3.431 50 0 DGAAHN Cc1ccc([C@@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1F ZINC000237412527 202258156 /nfs/dbraw/zinc/25/81/56/202258156.db2.gz FFRJZRWWVUOBNM-CZUORRHYSA-N 0 3 300.377 3.054 50 0 DGAAHN C[C@@H](CN1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000187352280 200099480 /nfs/dbraw/zinc/09/94/80/200099480.db2.gz UEJPCSIBTXKEOM-HNNXBMFYSA-N 0 3 322.880 3.240 50 0 DGAAHN C[C@H](NCCc1ccccc1F)c1ccc2c(c1)NC(=O)CO2 ZINC000237547031 202277498 /nfs/dbraw/zinc/27/74/98/202277498.db2.gz PHPWRTWEJQJLTA-LBPRGKRZSA-N 0 3 314.360 3.050 50 0 DGAAHN Cc1nn(C)c(C)c1CNCC1=Cc2cc(Cl)ccc2OC1 ZINC000237704130 202333310 /nfs/dbraw/zinc/33/33/10/202333310.db2.gz PBZBRJRWFXMMRH-UHFFFAOYSA-N 0 3 317.820 3.256 50 0 DGAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H]1CCSC1 ZINC000271929660 209331532 /nfs/dbraw/zinc/33/15/32/209331532.db2.gz KKUOBQWQVUIEIC-CQSZACIVSA-N 0 3 305.422 3.223 50 0 DGAAHN CN(c1ccccc1)C1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000195190155 201356704 /nfs/dbraw/zinc/35/67/04/201356704.db2.gz GEXRKECROJNFMG-NRFANRHFSA-N 0 3 324.468 3.191 50 0 DGAAHN COc1ccc([C@H](C)CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000245947569 202553695 /nfs/dbraw/zinc/55/36/95/202553695.db2.gz WDQKSRAIFPRSEX-ZWQIFLOQSA-N 0 3 319.445 3.067 50 0 DGAAHN CCn1ccnc1[C@@H]1CCCN(CCOCc2ccccc2)C1 ZINC000091595769 193078162 /nfs/dbraw/zinc/07/81/62/193078162.db2.gz 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C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccc(-n2cnnn2)cc1 ZINC000095421150 278386563 /nfs/dbraw/zinc/38/65/63/278386563.db2.gz PECKWAPXQZQAJY-XIKOKIGWSA-N 0 3 323.375 3.140 50 0 DGAAHN COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)N(C)CC2 ZINC000000044851 431114010 /nfs/dbraw/zinc/11/40/10/431114010.db2.gz ZBKFZIUKXTWQTP-QGZVFWFLSA-N 0 3 313.397 3.181 50 0 biogenic,in-vitro DGAAHN CCN1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000000143911 431134207 /nfs/dbraw/zinc/13/42/07/431134207.db2.gz DREJKENLGOKNAZ-UHFFFAOYSA-N 0 3 318.424 3.439 50 0 DGAAHN O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000000162837 431136532 /nfs/dbraw/zinc/13/65/32/431136532.db2.gz DCWZTDBABTVENH-UHFFFAOYSA-N 0 3 308.425 3.010 50 0 DGAAHN COc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000000176614 431140219 /nfs/dbraw/zinc/14/02/19/431140219.db2.gz XZYGOUZJAPIXGN-UHFFFAOYSA-N 0 3 310.397 3.082 50 0 DGAAHN C[C@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000300486 431161929 /nfs/dbraw/zinc/16/19/29/431161929.db2.gz HBHDQNPFGNFTOS-YOEHRIQHSA-N 0 3 304.409 3.162 50 0 DGAAHN Cc1cccc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)c1 ZINC000069171394 431168306 /nfs/dbraw/zinc/16/83/06/431168306.db2.gz PMPMHILJYWZRSB-OAQYLSRUSA-N 0 3 323.484 3.073 50 0 DGAAHN C[C@H](NCc1c[nH]nc1-c1cccs1)[C@H](C)n1cccn1 ZINC000069368645 431179600 /nfs/dbraw/zinc/17/96/00/431179600.db2.gz ZVSWDFXKYJTFKU-RYUDHWBXSA-N 0 3 301.419 3.074 50 0 DGAAHN O[C@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000069351870 431181088 /nfs/dbraw/zinc/18/10/88/431181088.db2.gz SXUOFRFIQASDJV-HXUWFJFHSA-N 0 3 311.425 3.401 50 0 DGAAHN C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)n1cccn1 ZINC000069418022 431182624 /nfs/dbraw/zinc/18/26/24/431182624.db2.gz WITUHJXCXMWRDI-CHWSQXEVSA-N 0 3 313.380 3.152 50 0 DGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000000209840 431146985 /nfs/dbraw/zinc/14/69/85/431146985.db2.gz YPHFBWBWEPTCTR-UHFFFAOYSA-N 0 3 300.427 3.143 50 0 DGAAHN CN1CCC(Nc2ccccc2NC(=O)Cc2ccccc2)CC1 ZINC000069585123 431202313 /nfs/dbraw/zinc/20/23/13/431202313.db2.gz DJCYBBFSEMIQLW-UHFFFAOYSA-N 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CCSCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000071909302 431313663 /nfs/dbraw/zinc/31/36/63/431313663.db2.gz AFGNPFJFVDXKPN-OAHLLOKOSA-N 0 3 320.502 3.471 50 0 DGAAHN CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000071904757 431313916 /nfs/dbraw/zinc/31/39/16/431313916.db2.gz GMUXCGUQLIDVPV-JKSUJKDBSA-N 0 3 318.465 3.049 50 0 DGAAHN CCOc1ccc(CNC[C@@H]2CCCO2)cc1Br ZINC000010474470 431463294 /nfs/dbraw/zinc/46/32/94/431463294.db2.gz ZASYMBMXKKZCSY-LBPRGKRZSA-N 0 3 314.223 3.116 50 0 DGAAHN CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000012457876 431509217 /nfs/dbraw/zinc/50/92/17/431509217.db2.gz TWBXPIXRADJWOE-IENJSVCTSA-N 0 3 324.424 3.416 50 0 DGAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000012457877 431509587 /nfs/dbraw/zinc/50/95/87/431509587.db2.gz TWBXPIXRADJWOE-DXRVJIQQSA-N 0 3 324.424 3.416 50 0 DGAAHN COc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1OC ZINC000012530430 431512195 /nfs/dbraw/zinc/51/21/95/431512195.db2.gz RRLJXFLIFAAXAR-UHFFFAOYSA-N 0 3 323.396 3.179 50 0 DGAAHN Clc1ccc(CCCN2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000077247339 431574738 /nfs/dbraw/zinc/57/47/38/431574738.db2.gz XMXKIDPWVYESEK-GOSISDBHSA-N 0 3 322.880 3.069 50 0 DGAAHN Cc1ccc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 ZINC000014967825 431597420 /nfs/dbraw/zinc/59/74/20/431597420.db2.gz LOLUABDMGNQODU-OAHLLOKOSA-N 0 3 318.417 3.086 50 0 DGAAHN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCCCCC1 ZINC000025408000 431655576 /nfs/dbraw/zinc/65/55/76/431655576.db2.gz CLFSAWKKFFBMKJ-OAHLLOKOSA-N 0 3 313.445 3.091 50 0 DGAAHN CCN1CCN(c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000025185063 431649913 /nfs/dbraw/zinc/64/99/13/431649913.db2.gz XXCOHOKLWCSRCW-UHFFFAOYSA-N 0 3 303.450 3.122 50 0 DGAAHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc2ccccc2c(=O)[nH]1 ZINC000119367461 431684422 /nfs/dbraw/zinc/68/44/22/431684422.db2.gz XYCOUIOVZZIMSZ-CQSZACIVSA-N 0 3 322.408 3.297 50 0 DGAAHN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(C)CC2)cc1 ZINC000078578646 431686462 /nfs/dbraw/zinc/68/64/62/431686462.db2.gz VCBGIVLLQXDAFE-SFHVURJKSA-N 0 3 318.461 3.240 50 0 DGAAHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2)[C@H](F)C1 ZINC000078710471 431699086 /nfs/dbraw/zinc/69/90/86/431699086.db2.gz JXBLMDWEOQDVAC-CABCVRRESA-N 0 3 308.397 3.124 50 0 DGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)c[nH]1 ZINC000030057314 431733289 /nfs/dbraw/zinc/73/32/89/431733289.db2.gz XXJLQNXICPLXHJ-UHFFFAOYSA-N 0 3 317.820 3.063 50 0 DGAAHN c1cnn(-c2ccc(CN[C@@H]3CCOc4ccccc43)cc2)c1 ZINC000030545273 431742729 /nfs/dbraw/zinc/74/27/29/431742729.db2.gz DCUDLZWUKHTEAJ-GOSISDBHSA-N 0 3 305.381 3.486 50 0 DGAAHN Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000031565501 431760100 /nfs/dbraw/zinc/76/01/00/431760100.db2.gz QLWGWVRLTNXRIA-FQEVSTJZSA-N 0 3 322.452 3.318 50 0 DGAAHN CC[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032739818 431790282 /nfs/dbraw/zinc/79/02/82/431790282.db2.gz OEXRYSRGLSLSSJ-GOSISDBHSA-N 0 3 321.424 3.400 50 0 DGAAHN CN(C)[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000032674921 431787164 /nfs/dbraw/zinc/78/71/64/431787164.db2.gz BQHYVHQTMGGDDD-HXUWFJFHSA-N 0 3 322.452 3.137 50 0 DGAAHN CCN(CC)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000037547719 431848057 /nfs/dbraw/zinc/84/80/57/431848057.db2.gz XDEWLCFKYFYDNI-INIZCTEOSA-N 0 3 302.462 3.198 50 0 DGAAHN CN(C)Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000089319405 431863529 /nfs/dbraw/zinc/86/35/29/431863529.db2.gz RQTHZGCIUWMYQZ-ROUUACIJSA-N 0 3 312.388 3.173 50 0 DGAAHN Cc1nc2ccccn2c1CNC(C)(C)c1ccc2c(c1)OCO2 ZINC000089547718 431870172 /nfs/dbraw/zinc/87/01/72/431870172.db2.gz MNIYHPADMUKXBP-UHFFFAOYSA-N 0 3 323.396 3.396 50 0 DGAAHN O=C(/C=C/c1cnccn1)Nc1cccc(CN2CCCCC2)c1 ZINC000084374349 431823800 /nfs/dbraw/zinc/82/38/00/431823800.db2.gz OAPWKABUUKLUTP-BQYQJAHWSA-N 0 3 322.412 3.114 50 0 DGAAHN O[C@@H](CNCc1ccc(Br)s1)c1ccccc1 ZINC000035112797 431824655 /nfs/dbraw/zinc/82/46/55/431824655.db2.gz QBOQSWPBTCCHBE-LBPRGKRZSA-N 0 3 312.232 3.334 50 0 DGAAHN CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000035270227 431828069 /nfs/dbraw/zinc/82/80/69/431828069.db2.gz YESBJFJJWMHILD-HZPDHXFCSA-N 0 3 302.418 3.128 50 0 DGAAHN CC[C@@H](C)N(Cc1ccc(C)o1)C[C@H](O)COCc1ccco1 ZINC000036097744 431836197 /nfs/dbraw/zinc/83/61/97/431836197.db2.gz AFPFLSLMUWCZEJ-ZBFHGGJFSA-N 0 3 321.417 3.359 50 0 DGAAHN CN(C)CCOc1ccc(NC(=O)NCc2cccs2)cc1 ZINC000047606855 431912971 /nfs/dbraw/zinc/91/29/71/431912971.db2.gz HODYNJHDFZWHSG-UHFFFAOYSA-N 0 3 319.430 3.010 50 0 DGAAHN CN(C)Cc1ccccc1NC(=O)c1ccccc1-n1cccn1 ZINC000048261716 431921168 /nfs/dbraw/zinc/92/11/68/431921168.db2.gz ZSWVVZHDHSQAMM-UHFFFAOYSA-N 0 3 320.396 3.186 50 0 DGAAHN CCn1cc(C(=O)NC2CCN(C3CC3)CC2)c2ccccc21 ZINC000048313744 431922666 /nfs/dbraw/zinc/92/26/66/431922666.db2.gz KZTDEDMTXUJEGF-UHFFFAOYSA-N 0 3 311.429 3.018 50 0 DGAAHN Cc1cc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)on1 ZINC000095354938 431922960 /nfs/dbraw/zinc/92/29/60/431922960.db2.gz HCEHMABLWNIVHK-ZWKOTPCHSA-N 0 3 311.429 3.079 50 0 DGAAHN Cc1cnn(CCN[C@@H](C)c2ccc(Br)cc2)c1 ZINC000089702497 431875097 /nfs/dbraw/zinc/87/50/97/431875097.db2.gz IJLOGWKCNOJAAN-LBPRGKRZSA-N 0 3 308.223 3.305 50 0 DGAAHN C[C@@H]1C[C@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 ZINC000089920360 431885489 /nfs/dbraw/zinc/88/54/89/431885489.db2.gz ZCVGCJCQBKGZHR-HIFRSBDPSA-N 0 3 316.474 3.482 50 0 DGAAHN CN(C)Cc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1 ZINC000046072081 431894600 /nfs/dbraw/zinc/89/46/00/431894600.db2.gz CBGBMMVWKIGRSR-UHFFFAOYSA-N 0 3 319.355 3.348 50 0 DGAAHN C[C@@H](Cc1cnccn1)N(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000097632000 431972109 /nfs/dbraw/zinc/97/21/09/431972109.db2.gz UBKSTBFKQFEVAT-AWEZNQCLSA-N 0 3 311.429 3.253 50 0 DGAAHN Cc1ccccc1CC1(NC(=O)[C@H]2CCCCCN2C)CC1 ZINC000097604275 431972676 /nfs/dbraw/zinc/97/26/76/431972676.db2.gz WZDWHIOJGLZSDC-QGZVFWFLSA-N 0 3 300.446 3.061 50 0 DGAAHN CCOc1cccc(CN(CCO)CCCC(F)(F)F)c1 ZINC000055271742 431978856 /nfs/dbraw/zinc/97/88/56/431978856.db2.gz QZKRAQUBLYOLQG-UHFFFAOYSA-N 0 3 305.340 3.222 50 0 DGAAHN CCCNC(=O)C1(NCc2cccc(OCC)c2)CCCCC1 ZINC000095943537 431926833 /nfs/dbraw/zinc/92/68/33/431926833.db2.gz OWMHCTFMXHMWED-UHFFFAOYSA-N 0 3 318.461 3.404 50 0 DGAAHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OC ZINC000095941290 431927469 /nfs/dbraw/zinc/92/74/69/431927469.db2.gz KNWOZMKRXGWWER-KGLIPLIRSA-N 0 3 311.809 3.170 50 0 DGAAHN O=S(=O)(CCN[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000095950305 431928360 /nfs/dbraw/zinc/92/83/60/431928360.db2.gz CHBSRGWVOQKENC-GOSISDBHSA-N 0 3 315.438 3.128 50 0 DGAAHN Cc1cc(C)n(-c2ccc(CNCc3ccccc3C)cn2)n1 ZINC000048742473 431931536 /nfs/dbraw/zinc/93/15/36/431931536.db2.gz LZHJCGPVPCKXJV-UHFFFAOYSA-N 0 3 306.413 3.482 50 0 DGAAHN CCOc1cccc2cc([C@H](C)NC[C@@]3(O)CCSC3)oc21 ZINC000095987979 431932589 /nfs/dbraw/zinc/93/25/89/431932589.db2.gz USNLNJRCEHFWJM-SJCJKPOMSA-N 0 3 321.442 3.350 50 0 DGAAHN O=C(Cc1ccccc1)N1CCN(C2CCCCCC2)CC1 ZINC000049573704 431941564 /nfs/dbraw/zinc/94/15/64/431941564.db2.gz XSJJEUVFTXGUID-UHFFFAOYSA-N 0 3 300.446 3.096 50 0 DGAAHN CSc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1F ZINC000096435406 431949248 /nfs/dbraw/zinc/94/92/48/431949248.db2.gz GVZZZMRIORYDQK-CYBMUJFWSA-N 0 3 323.437 3.250 50 0 DGAAHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@]1(O)CCSC1 ZINC000096479012 431952745 /nfs/dbraw/zinc/95/27/45/431952745.db2.gz LEMPSHJCHZIEQG-MEBBXXQBSA-N 0 3 314.520 3.268 50 0 DGAAHN Cc1nc2c(s1)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000096476812 431953056 /nfs/dbraw/zinc/95/30/56/431953056.db2.gz UCKITJSSOUWCIV-PWSUYJOCSA-N 0 3 319.396 3.055 50 0 DGAAHN C[C@H](Cc1nc2ccccc2s1)NCC[S@@](=O)C(C)(C)C ZINC000096477873 431953221 /nfs/dbraw/zinc/95/32/21/431953221.db2.gz FKYSUXFBXZWCKH-GTJPDFRWSA-N 0 3 324.515 3.364 50 0 DGAAHN Cn1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1=O ZINC000051797348 431953340 /nfs/dbraw/zinc/95/33/40/431953340.db2.gz DLVUXMUZYDZBHJ-FQEVSTJZSA-N 0 3 318.420 3.459 50 0 DGAAHN O=C1CCc2ccc(N[C@@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000096482892 431953349 /nfs/dbraw/zinc/95/33/49/431953349.db2.gz GTVXBBTUKYSJST-GOSISDBHSA-N 0 3 321.424 3.258 50 0 DGAAHN C[C@@H](O)CCN(C)Cc1ccc(Br)c2cccnc12 ZINC000096497173 431954333 /nfs/dbraw/zinc/95/43/33/431954333.db2.gz ZURSRXBOTPUBGF-LLVKDONJSA-N 0 3 323.234 3.200 50 0 DGAAHN CCCC[C@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000096499764 431954380 /nfs/dbraw/zinc/95/43/80/431954380.db2.gz CHTVWKMMYMGYBE-HNNXBMFYSA-N 0 3 324.852 3.227 50 0 DGAAHN COC[C@@H](C)NCc1ccc(Br)c2cccnc12 ZINC000096495890 431954410 /nfs/dbraw/zinc/95/44/10/431954410.db2.gz NKDQKZUDQUYQCA-SNVBAGLBSA-N 0 3 309.207 3.122 50 0 DGAAHN C[C@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1cccnc1 ZINC000097038844 431957162 /nfs/dbraw/zinc/95/71/62/431957162.db2.gz WZQILQPUBRGNOZ-AWEZNQCLSA-N 0 3 312.417 3.123 50 0 DGAAHN Cc1cc(NC(=O)CCN[C@H](C)c2cc3ccccc3o2)no1 ZINC000097111346 431961558 /nfs/dbraw/zinc/96/15/58/431961558.db2.gz CBVHWMPOQYIALZ-GFCCVEGCSA-N 0 3 313.357 3.409 50 0 DGAAHN O[C@H](CNCc1c[nH]nc1-c1cccs1)c1ccccc1F ZINC000097159178 431963130 /nfs/dbraw/zinc/96/31/30/431963130.db2.gz KZDYWAPIEFPWOT-CQSZACIVSA-N 0 3 317.389 3.101 50 0 DGAAHN c1ccc(COc2ccc(-c3nc4c([nH]3)CNCC4)cc2)cc1 ZINC000097547814 431970237 /nfs/dbraw/zinc/97/02/37/431970237.db2.gz UXDWQFAQLHEKCS-UHFFFAOYSA-N 0 3 305.381 3.301 50 0 DGAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccccc1 ZINC000055405271 431981525 /nfs/dbraw/zinc/98/15/25/431981525.db2.gz BTMDDCNPVWZPLY-ZIAGYGMSSA-N 0 3 310.388 3.015 50 0 DGAAHN CSCc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000102716272 431997017 /nfs/dbraw/zinc/99/70/17/431997017.db2.gz GMJSVWROFBAOKE-INIZCTEOSA-N 0 3 317.458 3.028 50 0 DGAAHN O=C(c1ccc(F)cc1)C1CCN(CCN2CCCCC2)CC1 ZINC000192461171 432376786 /nfs/dbraw/zinc/37/67/86/432376786.db2.gz LNQKWFVMQNQASU-UHFFFAOYSA-N 0 3 318.436 3.206 50 0 DGAAHN CSCCN1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252485881 432378226 /nfs/dbraw/zinc/37/82/26/432378226.db2.gz BIHHLAJTWWDWQH-OLZOCXBDSA-N 0 3 305.365 3.176 50 0 DGAAHN CN1CC[C@H](NCc2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252477278 432378444 /nfs/dbraw/zinc/37/84/44/432378444.db2.gz LELRQQNRHZALPD-DLBZAZTESA-N 0 3 319.811 3.409 50 0 DGAAHN CC(C)Cc1cccc([C@@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000252489248 432379645 /nfs/dbraw/zinc/37/96/45/432379645.db2.gz JMOGACGRTNQHEA-OAHLLOKOSA-N 0 3 302.462 3.199 50 0 DGAAHN CN(C)[C@H](CNC(=O)c1ccoc1C1CC1)Cc1ccccc1 ZINC000252509326 432381512 /nfs/dbraw/zinc/38/15/12/432381512.db2.gz YLBYUJUNPRCISF-INIZCTEOSA-N 0 3 312.413 3.060 50 0 DGAAHN CC(C)(O)CCc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000252504708 432381995 /nfs/dbraw/zinc/38/19/95/432381995.db2.gz DDSQERCNHIGEBW-IBGZPJMESA-N 0 3 316.489 3.060 50 0 DGAAHN O=C(C[C@H]1CNCCO1)Nc1ccccc1SC1CCCC1 ZINC000252548993 432382401 /nfs/dbraw/zinc/38/24/01/432382401.db2.gz QOTDGHNBLKHPSI-ZDUSSCGKSA-N 0 3 320.458 3.038 50 0 DGAAHN C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 ZINC000252549495 432383264 /nfs/dbraw/zinc/38/32/64/432383264.db2.gz RJKKNJYGGPSMDZ-BMGDILEWSA-N 0 3 316.470 3.034 50 0 DGAAHN COc1cc([C@@H](C)NC[C@](C)(O)c2ccc(C)o2)ccc1F ZINC000253417289 432395579 /nfs/dbraw/zinc/39/55/79/432395579.db2.gz XIJDQQWNWWUYGH-PXAZEXFGSA-N 0 3 307.365 3.294 50 0 DGAAHN C[C@H]1C[C@H](NCc2c(F)cccc2OC(F)(F)F)CCO1 ZINC000253416489 432395629 /nfs/dbraw/zinc/39/56/29/432395629.db2.gz HFGFZPGAAIKVJE-VHSXEESVSA-N 0 3 307.287 3.381 50 0 DGAAHN Cc1ncc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)s1 ZINC000253425670 432395774 /nfs/dbraw/zinc/39/57/74/432395774.db2.gz VAUANDHOBHZRJB-AWEZNQCLSA-N 0 3 313.426 3.076 50 0 DGAAHN Cn1ncnc1CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253416747 432395889 /nfs/dbraw/zinc/39/58/89/432395889.db2.gz PHPDGFUUOQYDAC-KBPBESRZSA-N 0 3 324.350 3.260 50 0 DGAAHN Cn1ncnc1CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000253416748 432396583 /nfs/dbraw/zinc/39/65/83/432396583.db2.gz PHPDGFUUOQYDAC-KGLIPLIRSA-N 0 3 324.350 3.260 50 0 DGAAHN CC1CCN(C[C@H]2CCCCCN2C(=O)c2ccoc2)CC1 ZINC000257179954 432416304 /nfs/dbraw/zinc/41/63/04/432416304.db2.gz DBNJCBYZXVRTSL-QGZVFWFLSA-N 0 3 304.434 3.396 50 0 DGAAHN CCOc1ccc(CN2CCC3(CC[C@@H]3O)CC2)cc1OCC ZINC000257187690 432416944 /nfs/dbraw/zinc/41/69/44/432416944.db2.gz LZDNMXAXYZBCBJ-SFHVURJKSA-N 0 3 319.445 3.221 50 0 DGAAHN CC(C)OCCN1CCC(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194256816 432536307 /nfs/dbraw/zinc/53/63/07/432536307.db2.gz JVKZWBUIPRTYEI-QGZVFWFLSA-N 0 3 324.509 3.208 50 0 DGAAHN CN(C)[C@@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000194315928 432542036 /nfs/dbraw/zinc/54/20/36/432542036.db2.gz GDOMZNXBPWQDPX-IBGZPJMESA-N 0 3 308.425 3.208 50 0 DGAAHN CNCC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000195543340 432626681 /nfs/dbraw/zinc/62/66/81/432626681.db2.gz AQOMNYTXTOLFQR-UHFFFAOYSA-N 0 3 318.348 3.093 50 0 DGAAHN CSC[C@H](CCO)N[C@@H](C)c1ccccc1Br ZINC000195540962 432626975 /nfs/dbraw/zinc/62/69/75/432626975.db2.gz HUGRIPKOJPJTLL-QWRGUYRKSA-N 0 3 318.280 3.214 50 0 DGAAHN COc1cc(Cl)cc(CN(C)CC2CCOCC2)c1OC ZINC000216028582 432648201 /nfs/dbraw/zinc/64/82/01/432648201.db2.gz SRCRGYDLGYIYEP-UHFFFAOYSA-N 0 3 313.825 3.216 50 0 DGAAHN CN(Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1Cc2ccccc2O1 ZINC000215423382 432642121 /nfs/dbraw/zinc/64/21/21/432642121.db2.gz BVTJZZZPXUIYKX-HNNXBMFYSA-N 0 3 309.369 3.105 50 0 DGAAHN CN(Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCOC(C)(C)C1 ZINC000215430049 432642747 /nfs/dbraw/zinc/64/27/47/432642747.db2.gz WSUDUQQPNBBLNG-GFCCVEGCSA-N 0 3 305.397 3.339 50 0 DGAAHN c1cn(C[C@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)cn1 ZINC000215575214 432644435 /nfs/dbraw/zinc/64/44/35/432644435.db2.gz SBGJFCNGRAHHMG-INIZCTEOSA-N 0 3 322.412 3.450 50 0 DGAAHN Cc1ccc([C@@H](C)CCN2CCC(O)(c3cccnc3)CC2)o1 ZINC000216431510 432649959 /nfs/dbraw/zinc/64/99/59/432649959.db2.gz JROUCYAKFJHGGB-HNNXBMFYSA-N 0 3 314.429 3.460 50 0 DGAAHN O=C(N[C@@H]1COc2ccccc21)C1(N2CCCC2)CCCCC1 ZINC000219286249 432661859 /nfs/dbraw/zinc/66/18/59/432661859.db2.gz RMWMWGPWODCLCA-MRXNPFEDSA-N 0 3 314.429 3.035 50 0 DGAAHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1 ZINC000225845657 432700797 /nfs/dbraw/zinc/70/07/97/432700797.db2.gz VHQHEQNRFPSJPC-ZYSHUDEJSA-N 0 3 323.440 3.049 50 0 DGAAHN CC[C@H]1c2ccsc2CCN1C[C@@H](O)COCc1ccco1 ZINC000229487914 432722197 /nfs/dbraw/zinc/72/21/97/432722197.db2.gz 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/nfs/dbraw/zinc/20/35/30/315203530.db2.gz DBKSRLGMWJAQIH-CQSZACIVSA-N 0 3 319.836 3.052 50 0 DGAAHN Fc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)ccc1-n1cncn1 ZINC000582341231 324217517 /nfs/dbraw/zinc/21/75/17/324217517.db2.gz XZPFMHJKCNCRNY-CRAIPNDOSA-N 0 3 312.392 3.027 50 0 DGAAHN CCN(CC(F)(F)F)C(=O)Nc1cccc(CN(C)C)c1 ZINC000096406766 337381732 /nfs/dbraw/zinc/38/17/32/337381732.db2.gz GXELJILAWFOIGZ-UHFFFAOYSA-N 0 3 303.328 3.164 50 0 DGAAHN CCN1CC2(CCC1=O)CCN(Cc1ccc(F)cc1C)CC2 ZINC000091269789 521546236 /nfs/dbraw/zinc/54/62/36/521546236.db2.gz GYAPSWRYBIKFJS-UHFFFAOYSA-N 0 3 318.436 3.359 50 0 DGAAHN Cc1cnc(C)c(N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000077455606 545741415 /nfs/dbraw/zinc/74/14/15/545741415.db2.gz GDHAOTTUFTVQNW-UHFFFAOYSA-N 0 3 322.456 3.121 50 0 DGAAHN CC(C)[C@H](NC[C@@H](O)c1ccco1)c1ccc2c(c1)CCO2 ZINC000091281841 545834977 /nfs/dbraw/zinc/83/49/77/545834977.db2.gz CKFYQUMMHKUDJP-QAPCUYQASA-N 0 3 301.386 3.235 50 0 DGAAHN Cc1nccn1CCN(C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000214952631 546260898 /nfs/dbraw/zinc/26/08/98/546260898.db2.gz YZDIBIXCLGFYFD-INIZCTEOSA-N 0 3 303.406 3.158 50 0 DGAAHN CCN(C)CCN(C)C(=O)c1cccc(-c2ccsc2)c1 ZINC000299760758 546434422 /nfs/dbraw/zinc/43/44/22/546434422.db2.gz XCZNXPGGNJWRHZ-UHFFFAOYSA-N 0 3 302.443 3.439 50 0 DGAAHN CN(CCC1(O)CCCC1)Cc1cc(F)ccc1-n1cccn1 ZINC000670437788 547753298 /nfs/dbraw/zinc/75/32/98/547753298.db2.gz XSECAPGMLKVTEY-UHFFFAOYSA-N 0 3 317.408 3.138 50 0 DGAAHN Cn1c2ccccc2nc1[C@H]1CCCN(Cc2cncs2)C1 ZINC000670434036 547753511 /nfs/dbraw/zinc/75/35/11/547753511.db2.gz FHMDVPQKCNZMNO-ZDUSSCGKSA-N 0 3 312.442 3.409 50 0 DGAAHN Nc1ncc(CN2CCC[C@H](c3nc4ccccc4o3)C2)s1 ZINC000670450090 547755909 /nfs/dbraw/zinc/75/59/09/547755909.db2.gz CTXXNCOOUAPANT-NSHDSACASA-N 0 3 314.414 3.246 50 0 DGAAHN CCc1ccc(CN2CCC(O)(c3ccccn3)CC2)s1 ZINC000670458325 547756683 /nfs/dbraw/zinc/75/66/83/547756683.db2.gz NGBHWOPAZOCABL-UHFFFAOYSA-N 0 3 302.443 3.189 50 0 DGAAHN CCOC[C@@H]1CCN(Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000585086296 575271021 /nfs/dbraw/zinc/27/10/21/575271021.db2.gz OFSPNBRADVFZLB-GFCCVEGCSA-N 0 3 306.356 3.371 50 0 DGAAHN O=C(CCN1CCC[C@@H](c2cccnc2)C1)Nc1ccccc1 ZINC000585089988 575271144 /nfs/dbraw/zinc/27/11/44/575271144.db2.gz VGOMCYXBSFFIJZ-QGZVFWFLSA-N 0 3 309.413 3.290 50 0 DGAAHN Cc1ncccc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000728774479 576200632 /nfs/dbraw/zinc/20/06/32/576200632.db2.gz GILRWRWRWCMPTG-CQSZACIVSA-N 0 3 309.413 3.368 50 0 DGAAHN CCN(CC)CCOC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000002472483 655686661 /nfs/dbraw/zinc/68/66/61/655686661.db2.gz ONQYXUARPAXYRU-UHFFFAOYSA-N 0 3 323.392 3.397 50 0 DGAAHN CC[C@@H](C(=O)NCCCc1nc2ccccc2s1)N(C)CC ZINC000952971474 662209237 /nfs/dbraw/zinc/20/92/37/662209237.db2.gz KEJXXAOFMMZQEL-AWEZNQCLSA-N 0 3 319.474 3.075 50 0 DGAAHN CC[C@H](C(=O)NCCCc1nc2ccccc2s1)N(C)CC ZINC000952971477 662209306 /nfs/dbraw/zinc/20/93/06/662209306.db2.gz KEJXXAOFMMZQEL-CQSZACIVSA-N 0 3 319.474 3.075 50 0 DGAAHN CN(C)c1ccc(Cl)cc1NC(=O)CN(C)C1CCCC1 ZINC000952974248 662209475 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ZINC000078921925 185129339 /nfs/dbraw/zinc/12/93/39/185129339.db2.gz FGKBGOFUNLEJEC-GFCCVEGCSA-N 0 3 324.471 3.313 50 0 DGAAHN Cc1ccc(NC(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000079064381 185151971 /nfs/dbraw/zinc/15/19/71/185151971.db2.gz DYTFFNQWRCDKLN-IYBDPMFKSA-N 0 3 319.449 3.006 50 0 DGAAHN CN(C)Cc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000079361419 185167102 /nfs/dbraw/zinc/16/71/02/185167102.db2.gz HGCZDSSGWNFWEB-IBGZPJMESA-N 0 3 324.424 3.391 50 0 DGAAHN CCOCc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000089988658 185274997 /nfs/dbraw/zinc/27/49/97/185274997.db2.gz UPIYNTCYTPKEOL-WMLDXEAASA-N 0 3 319.449 3.027 50 0 DGAAHN COCCc1nc(C)c([C@H](C)N[C@@H]2CCCSC2)s1 ZINC000092766496 185338880 /nfs/dbraw/zinc/33/88/80/185338880.db2.gz SAVDODUXVKAUEW-CMPLNLGQSA-N 0 3 300.493 3.187 50 0 DGAAHN CSCC[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000095389789 185351291 /nfs/dbraw/zinc/35/12/91/185351291.db2.gz SLXNGALNGHFUQM-LLVKDONJSA-N 0 3 321.273 3.032 50 0 DGAAHN CNC(=O)c1cccc(CN[C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000095420957 185360434 /nfs/dbraw/zinc/36/04/34/185360434.db2.gz RWBONRXEBAHUJQ-CQSZACIVSA-N 0 3 308.425 3.386 50 0 DGAAHN C[C@H](Cc1nc2ccccc2s1)NC[C@H](O)c1ccco1 ZINC000095419739 185360014 /nfs/dbraw/zinc/36/00/14/185360014.db2.gz YYMOHOUTQOEVLE-YPMHNXCESA-N 0 3 302.399 3.144 50 0 DGAAHN CCc1ccc([C@@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC000095420512 185360082 /nfs/dbraw/zinc/36/00/82/185360082.db2.gz STLKUDJDLBPOJR-NEPJUHHUSA-N 0 3 304.356 3.377 50 0 DGAAHN CNC(=O)c1cccc(CN[C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000095420956 185360558 /nfs/dbraw/zinc/36/05/58/185360558.db2.gz RWBONRXEBAHUJQ-AWEZNQCLSA-N 0 3 308.425 3.386 50 0 DGAAHN COc1ccc2c(c1)[C@H](NCCc1c(C)noc1C)CCCO2 ZINC000095422128 185360914 /nfs/dbraw/zinc/36/09/14/185360914.db2.gz VLMBVIKKVZVGSB-QGZVFWFLSA-N 0 3 316.401 3.346 50 0 DGAAHN CCn1c2ccccc2nc1[C@@H]1CCCN1CCn1ccnc1C ZINC000095446901 185367789 /nfs/dbraw/zinc/36/77/89/185367789.db2.gz UECFKMGUVHKAJO-SFHVURJKSA-N 0 3 323.444 3.398 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312.457 3.040 50 0 DGAAHN COc1cc(CNCc2ccc(C3OCCO3)cc2)ccc1C ZINC000225582965 186280042 /nfs/dbraw/zinc/28/00/42/186280042.db2.gz DFVKKPSFEYEVFR-UHFFFAOYSA-N 0 3 313.397 3.339 50 0 DGAAHN COCc1ncc(CN2CCC[C@H](c3ccccc3C)C2)cn1 ZINC000072475319 191176773 /nfs/dbraw/zinc/17/67/73/191176773.db2.gz CUZMACPUBZNXOK-KRWDZBQOSA-N 0 3 311.429 3.311 50 0 DGAAHN Cc1cc(=O)oc2cc(-n3ccnc3C3CCN(C)CC3)ccc12 ZINC000067648853 432033473 /nfs/dbraw/zinc/03/34/73/432033473.db2.gz NJXOGKNDOMQPBE-UHFFFAOYSA-N 0 3 323.396 3.096 50 0 DGAAHN C[C@@H](c1ccccn1)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067604731 432033673 /nfs/dbraw/zinc/03/36/73/432033673.db2.gz XYLOWRASVHFOEN-INIZCTEOSA-N 0 3 323.440 3.379 50 0 DGAAHN COc1ccc(Oc2cc(CN3CCCC3)ccc2OC)cn1 ZINC000067742230 432037485 /nfs/dbraw/zinc/03/74/85/432037485.db2.gz OBTXZVLFXVCVFI-UHFFFAOYSA-N 0 3 314.385 3.487 50 0 DGAAHN COCCNCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004700301 181139253 /nfs/dbraw/zinc/13/92/53/181139253.db2.gz LVKQDLXYCMOUPI-UHFFFAOYSA-N 0 3 301.386 3.010 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431622936 /nfs/dbraw/zinc/62/29/36/431622936.db2.gz GFZFAZDCVHIPOI-IRXDYDNUSA-N 0 3 302.462 3.069 50 0 DGAAHN Cc1noc2nc(C)cc(C(=O)Nc3ccc(CN(C)C)cc3)c12 ZINC000029952125 431730057 /nfs/dbraw/zinc/73/00/57/431730057.db2.gz KGZRPZDRLFBMSU-UHFFFAOYSA-N 0 3 324.384 3.154 50 0 DGAAHN CN(C)CCOc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1 ZINC000079725768 431741909 /nfs/dbraw/zinc/74/19/09/431741909.db2.gz GQMSOLRGHYCAQR-UHFFFAOYSA-N 0 3 323.396 3.361 50 0 DGAAHN O=C(/C=C/c1ccco1)NC[C@H](c1cccs1)N1CCCC1 ZINC000032763391 431789979 /nfs/dbraw/zinc/78/99/79/431789979.db2.gz LUXZEXMUWCMMAZ-MVGZEHJDSA-N 0 3 316.426 3.308 50 0 DGAAHN Cc1cc(C(=O)NCCN2CCCCCC2)c2ccccc2n1 ZINC000032961431 431803284 /nfs/dbraw/zinc/80/32/84/431803284.db2.gz NXTWBUIXVKMXME-UHFFFAOYSA-N 0 3 311.429 3.149 50 0 DGAAHN CC1(C)CCc2nc(CNCC3(CCO)CCC3)sc2C1 ZINC000122167700 431816374 /nfs/dbraw/zinc/81/63/74/431816374.db2.gz FJDQDQDHPCIGJA-UHFFFAOYSA-N 0 3 308.491 3.300 50 0 DGAAHN C[C@@H](CNC(=S)NCc1ccc(F)cc1)N1CCCC[C@@H]1C ZINC000036847490 431842136 /nfs/dbraw/zinc/84/21/36/431842136.db2.gz SNMRRVUCTSMAKW-KBPBESRZSA-N 0 3 323.481 3.053 50 0 DGAAHN Clc1ccc2c(c1)nccc2NCCCN1CCOCC1 ZINC000036962557 431842206 /nfs/dbraw/zinc/84/22/06/431842206.db2.gz YXFRGFRPDJRMHG-UHFFFAOYSA-N 0 3 305.809 3.022 50 0 DGAAHN Cc1nc([C@H](C)NC2CCN(c3ccccn3)CC2)cs1 ZINC000036932241 431842780 /nfs/dbraw/zinc/84/27/80/431842780.db2.gz YWFNTUMGROERIX-LBPRGKRZSA-N 0 3 302.447 3.166 50 0 DGAAHN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1cc[nH]c1 ZINC000086253436 431844175 /nfs/dbraw/zinc/84/41/75/431844175.db2.gz XLHMQOPQWFODEK-LJQANCHMSA-N 0 3 319.408 3.354 50 0 DGAAHN CS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000089319429 431863205 /nfs/dbraw/zinc/86/32/05/431863205.db2.gz OFFPAQDWPSWJQS-HOTGVXAUSA-N 0 3 321.490 3.496 50 0 DGAAHN CN(Cc1cccs1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000089363742 431864231 /nfs/dbraw/zinc/86/42/31/431864231.db2.gz RTRMNEUQVSAVEF-CYBMUJFWSA-N 0 3 316.426 3.101 50 0 DGAAHN CC(C)(C)c1nc(CNC[C@H]2CCCn3ccnc32)cs1 ZINC000084284819 431820448 /nfs/dbraw/zinc/82/04/48/431820448.db2.gz XVYWBWVPOOWFLP-GFCCVEGCSA-N 0 3 304.463 3.304 50 0 DGAAHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000035270226 431829296 /nfs/dbraw/zinc/82/92/96/431829296.db2.gz YESBJFJJWMHILD-JKSUJKDBSA-N 0 3 302.418 3.128 50 0 DGAAHN Cc1ccccc1OC[C@@H](O)CN(Cc1ccco1)CC(C)C ZINC000036096376 431836134 /nfs/dbraw/zinc/83/61/34/431836134.db2.gz OTIPZFDUGFHZFE-KRWDZBQOSA-N 0 3 317.429 3.486 50 0 DGAAHN O=C(NCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000036395729 431839495 /nfs/dbraw/zinc/83/94/95/431839495.db2.gz QJAIDXKWYZMCCF-IBGZPJMESA-N 0 3 323.440 3.323 50 0 DGAAHN CCN1CCC[C@H]1CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000044670856 431876340 /nfs/dbraw/zinc/87/63/40/431876340.db2.gz HUDDAKGMPHFFKG-INIZCTEOSA-N 0 3 313.445 3.091 50 0 DGAAHN CSCCN1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095436582 431925346 /nfs/dbraw/zinc/92/53/46/431925346.db2.gz BIHHLAJTWWDWQH-QWHCGFSZSA-N 0 3 305.365 3.176 50 0 DGAAHN C[C@H]1C[C@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 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CC1CCN(Cc2ccc(-c3nc([C@@H]4CCOC4)no3)o2)CC1 ZINC000096153074 431940751 /nfs/dbraw/zinc/94/07/51/431940751.db2.gz KEVGCYUGVDQPAX-CYBMUJFWSA-N 0 3 317.389 3.065 50 0 DGAAHN CN(CCNC(=O)/C=C\c1c(Cl)cccc1Cl)C1CC1 ZINC000096310879 431944506 /nfs/dbraw/zinc/94/45/06/431944506.db2.gz KOPBNTAWUAWVLP-FPLPWBNLSA-N 0 3 313.228 3.217 50 0 DGAAHN CC(=O)Nc1cccc(CN(C[C@H](O)c2ccccc2)C2CC2)c1 ZINC000096410362 431946136 /nfs/dbraw/zinc/94/61/36/431946136.db2.gz SUVDSGFJMJJQJP-FQEVSTJZSA-N 0 3 324.424 3.343 50 0 DGAAHN Cn1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1=O ZINC000051797350 431953295 /nfs/dbraw/zinc/95/32/95/431953295.db2.gz DLVUXMUZYDZBHJ-HXUWFJFHSA-N 0 3 318.420 3.459 50 0 DGAAHN COc1cccc2cc([C@@H](C)NCC3(OC)CCOCC3)oc21 ZINC000096493466 431954165 /nfs/dbraw/zinc/95/41/65/431954165.db2.gz OUIYGOZPVVFQOR-CYBMUJFWSA-N 0 3 319.401 3.288 50 0 DGAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CCSC1 ZINC000096499647 431954942 /nfs/dbraw/zinc/95/49/42/431954942.db2.gz OVWNRSAXHPOXHO-GZMMTYOYSA-N 0 3 307.385 3.218 50 0 DGAAHN CN(Cc1ccc(Br)c2cccnc12)[C@@H]1CCOC1 ZINC000097048647 431958247 /nfs/dbraw/zinc/95/82/47/431958247.db2.gz NUFZQPPXZGRJCS-GFCCVEGCSA-N 0 3 321.218 3.218 50 0 DGAAHN Cc1nc(CNC2CCN(CCC(F)(F)F)CC2)c(C)s1 ZINC000097057246 431958971 /nfs/dbraw/zinc/95/89/71/431958971.db2.gz PUTXICYNJKARGY-UHFFFAOYSA-N 0 3 321.412 3.266 50 0 DGAAHN CC(C)c1nn(C)cc1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000097159040 431963532 /nfs/dbraw/zinc/96/35/32/431963532.db2.gz KENDUAXKCVPNIW-HNNXBMFYSA-N 0 3 307.825 3.020 50 0 DGAAHN CC[C@H](c1cccnc1)N(C)CCn1c2ccccc2oc1=O ZINC000067587618 281026290 /nfs/dbraw/zinc/02/62/90/281026290.db2.gz XSYSPQMOWPAFJR-OAHLLOKOSA-N 0 3 311.385 3.073 50 0 DGAAHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000221782945 281377043 /nfs/dbraw/zinc/37/70/43/281377043.db2.gz SIORFLHCFVOGBN-NZSAHSFTSA-N 0 3 312.457 3.185 50 0 DGAAHN Clc1ccccc1OCCN1CCN(CC2CCC2)CC1 ZINC000173468862 432280680 /nfs/dbraw/zinc/28/06/80/432280680.db2.gz ODNAQGOCEHJGNZ-UHFFFAOYSA-N 0 3 308.853 3.137 50 0 DGAAHN CN(C)C[C@@H](NC(=O)NCc1ccoc1)c1ccc(Cl)cc1 ZINC000252494223 432379767 /nfs/dbraw/zinc/37/97/67/432379767.db2.gz NOSNLCQRJPPGCO-OAHLLOKOSA-N 0 3 321.808 3.035 50 0 DGAAHN CCO[C@@H]1C[C@@H](O)C12CCN(C/C=C\c1ccc(F)cc1)CC2 ZINC000255059140 432407326 /nfs/dbraw/zinc/40/73/26/432407326.db2.gz CIDNOUVQFWYPEE-GRFNRIFCSA-N 0 3 319.420 3.091 50 0 DGAAHN C[C@H](NC[C@@H]1CCC[C@H]1O)c1nc2cc(Cl)ccc2n1C ZINC000253369567 432390741 /nfs/dbraw/zinc/39/07/41/432390741.db2.gz FBGVKAKTBFMQSU-ZIBATOQPSA-N 0 3 307.825 3.038 50 0 DGAAHN CCn1nccc1CCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000253420234 432395759 /nfs/dbraw/zinc/39/57/59/432395759.db2.gz GJQFIBFCHISWNC-UHFFFAOYSA-N 0 3 317.408 3.128 50 0 DGAAHN Cc1cc(C[C@H](C)N[C@@H](C)c2ccc(Br)o2)n[nH]1 ZINC000193029371 432440138 /nfs/dbraw/zinc/44/01/38/432440138.db2.gz ASFCBNCKKDZSEC-WPRPVWTQSA-N 0 3 312.211 3.355 50 0 DGAAHN Cc1cc(C[C@H](C)N[C@@H](C)c2ccc(Br)o2)[nH]n1 ZINC000193029371 432440140 /nfs/dbraw/zinc/44/01/40/432440140.db2.gz ASFCBNCKKDZSEC-WPRPVWTQSA-N 0 3 312.211 3.355 50 0 DGAAHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@H](O)c1ccccc1 ZINC000153781988 432443469 /nfs/dbraw/zinc/44/34/69/432443469.db2.gz DPXOKSOCSWNJKJ-DYVFJYSZSA-N 0 3 301.434 3.331 50 0 DGAAHN CCN(CC)Cc1cccc(NC(=O)[C@@H]2CSCCS2)c1 ZINC000192831773 432419193 /nfs/dbraw/zinc/41/91/93/432419193.db2.gz PQENSUJLAKSKSF-HNNXBMFYSA-N 0 3 324.515 3.316 50 0 DGAAHN CCc1nccn1[C@@H]1CCCN(CCOc2ccccc2C)C1 ZINC000155229175 432546346 /nfs/dbraw/zinc/54/63/46/432546346.db2.gz XRTXPGFFFUCZQM-QGZVFWFLSA-N 0 3 313.445 3.470 50 0 DGAAHN CCN(Cc1cnn(C)c1)Cc1cccc(-n2nc(C)cc2C)c1 ZINC000215664901 432645028 /nfs/dbraw/zinc/64/50/28/432645028.db2.gz APYXYKJURTUFEW-UHFFFAOYSA-N 0 3 323.444 3.245 50 0 DGAAHN Cc1nccn1CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000215688382 432645411 /nfs/dbraw/zinc/64/54/11/432645411.db2.gz MKJIAUCJFBRLFJ-UHFFFAOYSA-N 0 3 313.323 3.222 50 0 DGAAHN C[C@H](Cc1cnccn1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000216388484 432649061 /nfs/dbraw/zinc/64/90/61/432649061.db2.gz SWNRJIMTQZQRHQ-CQSZACIVSA-N 0 3 308.385 3.195 50 0 DGAAHN CNC(=O)[C@H]1CCN(Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216260747 432650683 /nfs/dbraw/zinc/65/06/83/432650683.db2.gz XEIXPHGGIQDNLL-ZDUSSCGKSA-N 0 3 322.474 3.272 50 0 DGAAHN Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1CN1CCCC1 ZINC000219349848 432662799 /nfs/dbraw/zinc/66/27/99/432662799.db2.gz HOUWHESNBQEMDY-INIZCTEOSA-N 0 3 304.409 3.225 50 0 DGAAHN C[C@H](c1ccncc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000229625894 432721208 /nfs/dbraw/zinc/72/12/08/432721208.db2.gz JEEXKXGUBKZAFD-NVXWUHKLSA-N 0 3 309.413 3.493 50 0 DGAAHN O[C@H](CN1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F ZINC000229719930 432723391 /nfs/dbraw/zinc/72/33/91/432723391.db2.gz OMEWPFPWQIRGJZ-RDTXWAMCSA-N 0 3 303.352 3.488 50 0 DGAAHN Cc1cnccc1CNC(=O)C1(N2CCCCC2)CCCCC1 ZINC000223120870 432675058 /nfs/dbraw/zinc/67/50/58/432675058.db2.gz NTFZPMOFFALGLY-UHFFFAOYSA-N 0 3 315.461 3.195 50 0 DGAAHN Cc1nccnc1[C@@H](C)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000275861134 432756144 /nfs/dbraw/zinc/75/61/44/432756144.db2.gz MQNTWJBJDNUTEC-WLYUNCDWSA-N 0 3 319.449 3.336 50 0 DGAAHN C[C@@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)N(C)C ZINC000241684902 432816604 /nfs/dbraw/zinc/81/66/04/432816604.db2.gz QGFKMOXPRQFFMJ-LFEHRJTNSA-N 0 3 318.461 3.142 50 0 DGAAHN CCn1ccnc1[C@H]1CCCN(Cc2ccnc(C(C)C)n2)C1 ZINC000243893034 432819674 /nfs/dbraw/zinc/81/96/74/432819674.db2.gz ANSHFZHJUHELJO-HNNXBMFYSA-N 0 3 313.449 3.196 50 0 DGAAHN COc1ccccc1OCCCN1CC(N2CCCC[C@@H]2C)C1 ZINC000244794657 432823376 /nfs/dbraw/zinc/82/33/76/432823376.db2.gz QRBWCBLTDMYPDN-INIZCTEOSA-N 0 3 318.461 3.023 50 0 DGAAHN NC1(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CCCC1 ZINC000237901032 432804922 /nfs/dbraw/zinc/80/49/22/432804922.db2.gz LWRALQFVMATIEP-UHFFFAOYSA-N 0 3 320.396 3.236 50 0 DGAAHN CCC(=O)N1CC[C@H](N[C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000241371373 432815763 /nfs/dbraw/zinc/81/57/63/432815763.db2.gz MNASTBWLNFVINY-FHSNZYRGSA-N 0 3 304.409 3.050 50 0 DGAAHN CNCC(=O)NC1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000162995822 432840199 /nfs/dbraw/zinc/84/01/99/432840199.db2.gz VRNXPNKQHSWZSV-UHFFFAOYSA-N 0 3 312.866 3.079 50 0 DGAAHN O=C(c1ccncc1Cl)N1CCCN(C2CCCCC2)CC1 ZINC000299769847 433382037 /nfs/dbraw/zinc/38/20/37/433382037.db2.gz JGHRETIZMLICCB-UHFFFAOYSA-N 0 3 321.852 3.216 50 0 DGAAHN CCN(CC(F)(F)F)C(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426496919 433515450 /nfs/dbraw/zinc/51/54/50/433515450.db2.gz OEQCMDPQWGUETJ-UHFFFAOYSA-N 0 3 323.318 3.355 50 0 DGAAHN Cc1c2cccc(F)c2[nH]c1C(=O)NCCN1CCCCCC1 ZINC000426544672 433527129 /nfs/dbraw/zinc/52/71/29/433527129.db2.gz HXPIWEIXLSAFBN-UHFFFAOYSA-N 0 3 317.408 3.221 50 0 DGAAHN CN(C)Cc1ccc(-c2cc(OC(F)(F)F)ccc2O)nc1 ZINC000426443321 433496861 /nfs/dbraw/zinc/49/68/61/433496861.db2.gz MZYXTXGFYABUCJ-UHFFFAOYSA-N 0 3 312.291 3.414 50 0 DGAAHN COc1c(C)cnc(CN(C)CCc2scnc2C)c1C ZINC000295091992 434190824 /nfs/dbraw/zinc/19/08/24/434190824.db2.gz FKQVARKJUXCLHH-UHFFFAOYSA-N 0 3 305.447 3.146 50 0 DGAAHN COc1ccc(C2(NC[C@@H]3CCC=CO3)CCOCC2)cc1F ZINC000408514780 434582659 /nfs/dbraw/zinc/58/26/59/434582659.db2.gz JTOMGDIBVAYHIS-HNNXBMFYSA-N 0 3 321.392 3.122 50 0 DGAAHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1ccsc1 ZINC000408520236 434583696 /nfs/dbraw/zinc/58/36/96/434583696.db2.gz WQDZGDWXUWETJL-HOCLYGCPSA-N 0 3 316.426 3.061 50 0 DGAAHN OCC[C@]1(CNC2c3ccccc3-c3ccccc32)CCOC1 ZINC000195555526 323492314 /nfs/dbraw/zinc/49/23/14/323492314.db2.gz JOZMSQOGULSTAX-HXUWFJFHSA-N 0 3 309.409 3.135 50 0 DGAAHN Cc1c([O-])ccc2c(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc(=O)oc12 ZINC000006510874 331496471 /nfs/dbraw/zinc/49/64/71/331496471.db2.gz KEKTUWUHTFKGSB-VXGBXAGGSA-N 0 3 301.386 3.285 50 0 DGAAHN Cc1ccc2c(c1)[C@H](NCc1cccc(Cn3cncn3)c1)CC2 ZINC000095420115 332170051 /nfs/dbraw/zinc/17/00/51/332170051.db2.gz AZHCGXLAQPPYCT-HXUWFJFHSA-N 0 3 318.424 3.412 50 0 DGAAHN COc1ccccc1-c1cc(CN[C@H]2CCCSC2)on1 ZINC000534582565 334289815 /nfs/dbraw/zinc/28/98/15/334289815.db2.gz LNYSAQVEVCVOFU-LBPRGKRZSA-N 0 3 304.415 3.335 50 0 DGAAHN CC(C)c1cc(CNC2CCN(Cc3ccco3)CC2)no1 ZINC000534659326 334315323 /nfs/dbraw/zinc/31/53/23/334315323.db2.gz MASJKAAUYXOAQW-UHFFFAOYSA-N 0 3 303.406 3.145 50 0 DGAAHN CCC[C@@H](CNC(=O)N(C)Cc1cccc(SC)c1)N(C)C ZINC000534672428 334320948 /nfs/dbraw/zinc/32/09/48/334320948.db2.gz WCOADQJHIAXWGG-HNNXBMFYSA-N 0 3 323.506 3.280 50 0 DGAAHN CC(=O)NC(C)(C)C[C@H](C)NC1(c2cc(F)ccc2F)CC1 ZINC000534674567 334321790 /nfs/dbraw/zinc/32/17/90/334321790.db2.gz HTURFWCCXRYEKP-NSHDSACASA-N 0 3 310.388 3.237 50 0 DGAAHN Cc1cc(F)ccc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000328589811 533862252 /nfs/dbraw/zinc/86/22/52/533862252.db2.gz HZWKLFQIVXREFA-UHFFFAOYSA-N 0 3 304.409 3.082 50 0 DGAAHN Cc1ncc(CNC[C@H](O)c2cccs2)n1-c1ccccc1 ZINC000084045548 545782145 /nfs/dbraw/zinc/78/21/45/545782145.db2.gz SAJKXQNPUQZDGW-INIZCTEOSA-N 0 3 313.426 3.065 50 0 DGAAHN CN(CCn1ccnc1)Cc1cc(CN2CCCCC2)cs1 ZINC000215541962 546262163 /nfs/dbraw/zinc/26/21/63/546262163.db2.gz JESZMQXPRRFZJA-UHFFFAOYSA-N 0 3 318.490 3.063 50 0 DGAAHN Cc1nn(C)c2ncc(CNCc3ccc4occc4c3)cc12 ZINC000671708002 547812475 /nfs/dbraw/zinc/81/24/75/547812475.db2.gz QHUKSNIIRGWYDD-UHFFFAOYSA-N 0 3 306.369 3.313 50 0 DGAAHN C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1cnc(Cl)n1C ZINC000888098317 618625359 /nfs/dbraw/zinc/62/53/59/618625359.db2.gz GEQQLRBSZJILSQ-TZMCWYRMSA-N 0 3 322.840 3.154 50 0 DGAAHN CC1=C(c2nc(-c3ccc(CN(C)C)cc3)no2)SCCO1 ZINC000863950353 621721605 /nfs/dbraw/zinc/72/16/05/621721605.db2.gz OCCVCCHBSQDGNN-UHFFFAOYSA-N 0 3 317.414 3.250 50 0 DGAAHN C[C@@H](C(=O)N(C)Cc1cccc2cnccc21)N1CCCCC1 ZINC000426712198 657102999 /nfs/dbraw/zinc/10/29/99/657102999.db2.gz SLVDIDRMOOFFJA-HNNXBMFYSA-N 0 3 311.429 3.068 50 0 DGAAHN CN1CCCCC[C@H]1C(=O)NCc1csc2c1CCCC2 ZINC000952964818 662208751 /nfs/dbraw/zinc/20/87/51/662208751.db2.gz DOTULLDYVBRSHW-HNNXBMFYSA-N 0 3 306.475 3.118 50 0 DGAAHN CC[C@H](C(=O)NCCOc1cccc2ccccc21)N(C)CC ZINC000952985294 662210323 /nfs/dbraw/zinc/21/03/23/662210323.db2.gz RSPGVGFSTUWGNL-QGZVFWFLSA-N 0 3 314.429 3.065 50 0 DGAAHN Cc1ccc(Cl)c(OCCN2CC[C@@H](O)C[C@@H]2C2CC2)c1 ZINC001772703565 1176671974 /nfs/dbraw/zinc/67/19/74/1176671974.db2.gz MOGLCGJSARJYJA-GDBMZVCRSA-N 0 3 309.837 3.263 50 0 DGAAHN CCCn1nc(C)c(NC(=O)c2cccc(CN(C)C)c2)c1C ZINC001529175003 1187539348 /nfs/dbraw/zinc/53/93/48/1187539348.db2.gz ZVAHRLQLXPHBJC-UHFFFAOYSA-N 0 3 314.433 3.224 50 0 DGAAHN Cc1cc(CN2CCC3(CC2)C[C@](C)(O)CCO3)ccc1F ZINC001704315872 1202520577 /nfs/dbraw/zinc/52/05/77/1202520577.db2.gz PVRUNXNSLXHTKB-QGZVFWFLSA-N 0 3 307.409 3.030 50 0 DGAAHN CCc1cnc(C)nc1NC[C@H]1CCCN(Cc2ccco2)C1 ZINC001704330981 1202521396 /nfs/dbraw/zinc/52/13/96/1202521396.db2.gz MNSDCOMNFRYZLK-OAHLLOKOSA-N 0 3 314.433 3.265 50 0 DGAAHN c1cnn(C[C@@H](NC2CSCCSC2)c2ccccc2)c1 ZINC000820424927 1091624569 /nfs/dbraw/zinc/62/45/69/1091624569.db2.gz RRKUDYIBNWTNBT-MRXNPFEDSA-N 0 3 319.499 3.063 50 0 DGAAHN CC[C@@H](C(=O)NCCc1cccc(C(F)(F)F)c1)N(C)CC ZINC000822555086 1091664858 /nfs/dbraw/zinc/66/48/58/1091664858.db2.gz NWHXPUDBCSLGPY-AWEZNQCLSA-N 0 3 316.367 3.094 50 0 DGAAHN CCCNCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000585086325 1094983631 /nfs/dbraw/zinc/98/36/31/1094983631.db2.gz AEVCRBBSKGRSNQ-UHFFFAOYSA-N 0 3 323.437 3.289 50 0 DGAAHN Cc1c[nH]cc1C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000585088367 1094991117 /nfs/dbraw/zinc/99/11/17/1094991117.db2.gz YFORGZPWRSNDSQ-SJLPKXTDSA-N 0 3 309.413 3.080 50 0 DGAAHN CN1CC/C(=C\C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000585120820 1095019860 /nfs/dbraw/zinc/01/98/60/1095019860.db2.gz NFSDFOWMRJKFPH-UPTIQUDWSA-N 0 3 324.399 3.293 50 0 DGAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)cc1C ZINC000095512231 185376409 /nfs/dbraw/zinc/37/64/09/185376409.db2.gz ZCKLKVOFSCFQBY-RBUKOAKNSA-N 0 3 314.473 3.310 50 0 DGAAHN CC[C@H](C(=O)NCCCOc1ccc(C)cc1)N(CC)CC ZINC000078822577 185115170 /nfs/dbraw/zinc/11/51/70/185115170.db2.gz YXWUMLUNJFKWRH-QGZVFWFLSA-N 0 3 306.450 3.001 50 0 DGAAHN C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000078952280 185134240 /nfs/dbraw/zinc/13/42/40/185134240.db2.gz PLHDCGLDOZTBEA-JQHSSLGASA-N 0 3 315.461 3.058 50 0 DGAAHN CN(Cc1ccco1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278743482 214370097 /nfs/dbraw/zinc/37/00/97/214370097.db2.gz WOIULKTVVJMHFN-IBGZPJMESA-N 0 3 314.429 3.003 50 0 DGAAHN COc1cc(OC)cc([C@@H]2CCN(CCC(F)(F)F)C2)c1 ZINC000083403331 185222228 /nfs/dbraw/zinc/22/22/28/185222228.db2.gz CIDLQWNUFBMMBR-LLVKDONJSA-N 0 3 303.324 3.446 50 0 DGAAHN CC[C@@H]1CN(C(=O)CCc2cccc(F)c2)CCN1C(C)C ZINC000082120993 192359593 /nfs/dbraw/zinc/35/95/93/192359593.db2.gz WIUYEPTWSGRAHK-QGZVFWFLSA-N 0 3 306.425 3.090 50 0 DGAAHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cc3ccccc3s2)C1 ZINC000095412261 185357890 /nfs/dbraw/zinc/35/78/90/185357890.db2.gz GJIHNXHHEIERHS-HIFRSBDPSA-N 0 3 323.483 3.347 50 0 DGAAHN CC[C@@H](CCNCc1cnc(C2CCC2)s1)N1CCCC1=O ZINC000095415462 185358850 /nfs/dbraw/zinc/35/88/50/185358850.db2.gz DYIPFZFWCTVHDJ-AWEZNQCLSA-N 0 3 321.490 3.291 50 0 DGAAHN CN(C)CCn1ccc(N[C@@H]2CCSc3ccc(F)cc32)n1 ZINC000095423932 185361282 /nfs/dbraw/zinc/36/12/82/185361282.db2.gz SQWKXFDDFDWUJG-CQSZACIVSA-N 0 3 320.437 3.233 50 0 DGAAHN Cc1cc(N2CCC(Cn3ccnn3)CC2)c2ccccc2n1 ZINC000095435645 185364556 /nfs/dbraw/zinc/36/45/56/185364556.db2.gz PNEGNOIVMRFFMG-UHFFFAOYSA-N 0 3 307.401 3.051 50 0 DGAAHN COC(=O)N1CCC[C@@H](N[C@@H](C)c2cnc3ccsc3c2)C1 ZINC000095421613 185360670 /nfs/dbraw/zinc/36/06/70/185360670.db2.gz BHRPXRDIWBMLQJ-WCQYABFASA-N 0 3 319.430 3.178 50 0 DGAAHN CCC(=O)N1CC[C@@H](N[C@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423905 185361073 /nfs/dbraw/zinc/36/10/73/185361073.db2.gz CDYGFJSTHIBSMY-WBVHZDCISA-N 0 3 316.445 3.118 50 0 DGAAHN Oc1cccc2c1CC[C@@H]2NCc1cccc(Cn2ccnc2)c1 ZINC000095450977 185368941 /nfs/dbraw/zinc/36/89/41/185368941.db2.gz BZKSYKOCFRBCSW-IBGZPJMESA-N 0 3 319.408 3.414 50 0 DGAAHN CC[C@H](N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000095466882 185372035 /nfs/dbraw/zinc/37/20/35/185372035.db2.gz LZSYJUBSSDPRNL-AWEZNQCLSA-N 0 3 312.866 3.160 50 0 DGAAHN Cc1nc(C(C)C)sc1[C@H](C)NC[C@]1(O)CCSC1 ZINC000097017195 185397403 /nfs/dbraw/zinc/39/74/03/185397403.db2.gz SOJMWKMEIFQMMM-IINYFYTJSA-N 0 3 300.493 3.094 50 0 DGAAHN Fc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1OC(F)F ZINC000097021403 185398463 /nfs/dbraw/zinc/39/84/63/185398463.db2.gz ZDDHCINHSHDGFP-GFCCVEGCSA-N 0 3 311.307 3.317 50 0 DGAAHN CCn1cc(CNC2CCN(c3cccc(C)c3C)CC2)cn1 ZINC000065451996 432011943 /nfs/dbraw/zinc/01/19/43/432011943.db2.gz RTPZKEXQWSDBEP-UHFFFAOYSA-N 0 3 312.461 3.278 50 0 DGAAHN CC1(C)C[C@H](CN2CCN(Cc3cccc(F)c3)CC2)CCO1 ZINC000072123960 191041880 /nfs/dbraw/zinc/04/18/80/191041880.db2.gz KWNZCMCQNFSQMJ-QGZVFWFLSA-N 0 3 320.452 3.149 50 0 DGAAHN CCCN1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072144318 191050928 /nfs/dbraw/zinc/05/09/28/191050928.db2.gz OMBXWIDSSJSQQT-RCCFBDPRSA-N 0 3 306.400 3.237 50 0 DGAAHN Cc1cc(C)n([C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C2)n1 ZINC000072151963 191057790 /nfs/dbraw/zinc/05/77/90/191057790.db2.gz DWYKFVGVLYZLKH-IBGZPJMESA-N 0 3 321.428 3.133 50 0 DGAAHN CC(C)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072163681 191063471 /nfs/dbraw/zinc/06/34/71/191063471.db2.gz FPDWCYHYDWFMLX-KZNAEPCWSA-N 0 3 306.400 3.235 50 0 DGAAHN Cc1nn(CCO)c(C)c1CN[C@H]1CCCCc2ccccc21 ZINC000072230532 191078383 /nfs/dbraw/zinc/07/83/83/191078383.db2.gz MALKNOHSLUTMSX-IBGZPJMESA-N 0 3 313.445 3.050 50 0 DGAAHN Cc1ccc(-c2n[nH]cc2CNCc2cccc(N(C)C)c2)o1 ZINC000072274458 191097360 /nfs/dbraw/zinc/09/73/60/191097360.db2.gz CUJWQLXMRIZPMB-UHFFFAOYSA-N 0 3 310.401 3.334 50 0 DGAAHN c1cn(CCC2=CCCCC2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072477257 191179580 /nfs/dbraw/zinc/17/95/80/191179580.db2.gz RIKUTZILGOJSCW-UHFFFAOYSA-N 0 3 311.433 3.130 50 0 DGAAHN Cc1ccc(C)c(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000000448462 180794571 /nfs/dbraw/zinc/79/45/71/180794571.db2.gz OMAHUFXJRWCFJB-LJQANCHMSA-N 0 3 311.425 3.101 50 0 DGAAHN C[C@H](CN1CCCCCC1)NCc1cc(-c2ccco2)on1 ZINC000067642194 432033464 /nfs/dbraw/zinc/03/34/64/432033464.db2.gz VJULVWDTXRXYAO-CQSZACIVSA-N 0 3 303.406 3.289 50 0 DGAAHN COc1cccc(CNCCO)c1OCc1ccc(Cl)cc1 ZINC000003644681 181043449 /nfs/dbraw/zinc/04/34/49/181043449.db2.gz JYSCACHDEZUHSN-UHFFFAOYSA-N 0 3 321.804 3.010 50 0 DGAAHN CC(C)n1cc2cc(NC(=O)[C@]3(C)CCCCN3)ccc2n1 ZINC000236799882 202015570 /nfs/dbraw/zinc/01/55/70/202015570.db2.gz MRGNRVCEQBYTAS-KRWDZBQOSA-N 0 3 300.406 3.088 50 0 DGAAHN CCCCNC(=O)C1CCN(Cc2ccc(CC)cc2)CC1 ZINC000004680083 181135804 /nfs/dbraw/zinc/13/58/04/181135804.db2.gz TZXXTIVLCNBJEK-UHFFFAOYSA-N 0 3 302.462 3.377 50 0 DGAAHN CCCCN(C)C(=O)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000004690658 181137027 /nfs/dbraw/zinc/13/70/27/181137027.db2.gz XKRVLDOOZITUBH-UHFFFAOYSA-N 0 3 318.461 3.166 50 0 DGAAHN O=C1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CCN1 ZINC000067818417 432042533 /nfs/dbraw/zinc/04/25/33/432042533.db2.gz PYIKECSIOCQAHK-UHFFFAOYSA-N 0 3 306.837 3.222 50 0 DGAAHN Cc1cc(Br)ccc1-c1ccc(CNCCO)o1 ZINC000004999729 181188289 /nfs/dbraw/zinc/18/82/89/181188289.db2.gz IUBQRYIXLHENNZ-UHFFFAOYSA-N 0 3 310.191 3.099 50 0 DGAAHN CCN(CC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000005591636 181261121 /nfs/dbraw/zinc/26/11/21/181261121.db2.gz JIBDQUYVHSTHGS-INIZCTEOSA-N 0 3 302.462 3.345 50 0 DGAAHN C[C@H](CN(C)Cc1ccccc1)Nc1nc(N)c2ccccc2n1 ZINC000170591822 432073245 /nfs/dbraw/zinc/07/32/45/432073245.db2.gz QAOAZNJYADMQNB-CQSZACIVSA-N 0 3 321.428 3.144 50 0 DGAAHN C[C@H](CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)N(C)C ZINC000170610224 432073428 /nfs/dbraw/zinc/07/34/28/432073428.db2.gz FFSGYFYUEAIKOY-GFCCVEGCSA-N 0 3 301.434 3.145 50 0 DGAAHN C[C@@H](CNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)N(C)C ZINC000170610222 432073399 /nfs/dbraw/zinc/07/33/99/432073399.db2.gz FFSGYFYUEAIKOY-LBPRGKRZSA-N 0 3 301.434 3.145 50 0 DGAAHN COc1ccccc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179780585 199079811 /nfs/dbraw/zinc/07/98/11/199079811.db2.gz KJRXRCQKDHTRLL-MRXNPFEDSA-N 0 3 322.412 3.118 50 0 DGAAHN Cc1ccc(F)cc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000180092968 199117006 /nfs/dbraw/zinc/11/70/06/199117006.db2.gz LSDUXMPLBIZPJX-UHFFFAOYSA-N 0 3 314.408 3.025 50 0 DGAAHN CN(C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000005937060 181297974 /nfs/dbraw/zinc/29/79/74/181297974.db2.gz YIXLWYIQKTVQGX-UHFFFAOYSA-N 0 3 316.405 3.471 50 0 DGAAHN C[C@H](c1ccccn1)N(C)CCC(=O)N1CCc2ccccc2C1 ZINC000189140970 200355152 /nfs/dbraw/zinc/35/51/52/200355152.db2.gz XJOFQIHROGEJOA-MRXNPFEDSA-N 0 3 323.440 3.049 50 0 DGAAHN CN(C)CCNC(=O)N(Cc1cccc2ccccc21)C1CC1 ZINC000426503471 237974676 /nfs/dbraw/zinc/97/46/76/237974676.db2.gz HGQIUIVTOFOKBO-UHFFFAOYSA-N 0 3 311.429 3.075 50 0 DGAAHN Cc1ccc([C@H](CNC(=O)Nc2ncccc2C)N(C)C)cc1 ZINC000195254154 201368415 /nfs/dbraw/zinc/36/84/15/201368415.db2.gz ZYLWAWNKENHGHM-INIZCTEOSA-N 0 3 312.417 3.123 50 0 DGAAHN CC(C)Cc1cc(C(=O)NC(C)(C)CN2CCCCCC2)on1 ZINC000091830914 193114714 /nfs/dbraw/zinc/11/47/14/193114714.db2.gz GRSUZGKMBNIKPV-UHFFFAOYSA-N 0 3 321.465 3.258 50 0 DGAAHN Cc1nc(CN2CCC[C@@](CO)(CC3CC3)C2)c2ccccn12 ZINC000091914625 193125996 /nfs/dbraw/zinc/12/59/96/193125996.db2.gz MUCQSJBNXLZKLV-LJQANCHMSA-N 0 3 313.445 3.017 50 0 DGAAHN c1cn(Cc2ccccn2)c(C2CCN(c3ccncc3)CC2)n1 ZINC000091997705 193138708 /nfs/dbraw/zinc/13/87/08/193138708.db2.gz BLZCIALZLCPZDO-UHFFFAOYSA-N 0 3 319.412 3.105 50 0 DGAAHN C[C@@H](NC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2 ZINC000089905065 296099679 /nfs/dbraw/zinc/09/96/79/296099679.db2.gz WSOBWNKYEJGMLB-ACJLOTCBSA-N 0 3 300.446 3.083 50 0 DGAAHN Cn1cccc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000092965541 193189875 /nfs/dbraw/zinc/18/98/75/193189875.db2.gz KAEXJONZHHKFID-UHFFFAOYSA-N 0 3 315.392 3.015 50 0 DGAAHN CCc1oc2ccccc2c1CN1CCC(CC(=O)NC)CC1 ZINC000093588056 193269645 /nfs/dbraw/zinc/26/96/45/193269645.db2.gz XQCIUINGVQJYFV-UHFFFAOYSA-N 0 3 314.429 3.343 50 0 DGAAHN c1ncc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000093840956 193316500 /nfs/dbraw/zinc/31/65/00/193316500.db2.gz XADQWUJHDBOQFL-GFCCVEGCSA-N 0 3 302.447 3.125 50 0 DGAAHN C[C@@H](N[C@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000095968492 193465597 /nfs/dbraw/zinc/46/55/97/193465597.db2.gz HHTLSUVGQNATNS-OCCSQVGLSA-N 0 3 302.349 3.453 50 0 DGAAHN CN(C)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000008707931 181576276 /nfs/dbraw/zinc/57/62/76/181576276.db2.gz MVQHIRNAFAMTRL-UHFFFAOYSA-N 0 3 316.832 3.374 50 0 DGAAHN CCN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000016580065 182050624 /nfs/dbraw/zinc/05/06/24/182050624.db2.gz JANQYGXXJKEMRS-UHFFFAOYSA-N 0 3 301.217 3.208 50 0 DGAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000016602539 182051811 /nfs/dbraw/zinc/05/18/11/182051811.db2.gz APZVSNNUXNZYNI-UHFFFAOYSA-N 0 3 314.454 3.451 50 0 DGAAHN CN1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000016602555 182051910 /nfs/dbraw/zinc/05/19/10/182051910.db2.gz APHOCKQLKGBPBG-UHFFFAOYSA-N 0 3 308.425 3.029 50 0 DGAAHN CCN1CCC(NC(=O)c2csc3c2CC[C@@H](C)C3)CC1 ZINC000016603456 182052257 /nfs/dbraw/zinc/05/22/57/182052257.db2.gz NVYSZEHJWKMYRK-GFCCVEGCSA-N 0 3 306.475 3.087 50 0 DGAAHN CCC[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000016607065 182053238 /nfs/dbraw/zinc/05/32/38/182053238.db2.gz GOMBOPGIJTUABY-CQSZACIVSA-N 0 3 306.425 3.343 50 0 DGAAHN COCCN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000017031016 182068748 /nfs/dbraw/zinc/06/87/48/182068748.db2.gz OEOSVIYQKZRBRU-UHFFFAOYSA-N 0 3 304.202 3.187 50 0 DGAAHN Cc1ccc(C)c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000019227492 182109003 /nfs/dbraw/zinc/10/90/03/182109003.db2.gz LABKDRADQWIFSG-IBGZPJMESA-N 0 3 318.505 3.218 50 0 DGAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(C2CCOCC2)C1 ZINC000019744062 182142071 /nfs/dbraw/zinc/14/20/71/182142071.db2.gz GQZYDBXDLWQALZ-CQSZACIVSA-N 0 3 319.470 3.482 50 0 DGAAHN CC[C@H](C)N1CCN(Cc2ccccc2Br)CC1 ZINC000019789281 182149202 /nfs/dbraw/zinc/14/92/02/182149202.db2.gz NBOLGEHWXMFVKW-ZDUSSCGKSA-N 0 3 311.267 3.365 50 0 DGAAHN CN(C)Cn1cc(CC(=O)N2CCCCCC2)c2ccccc21 ZINC000020650014 182241018 /nfs/dbraw/zinc/24/10/18/182241018.db2.gz MLHATYWAYWNJRK-UHFFFAOYSA-N 0 3 313.445 3.106 50 0 DGAAHN CC(C)(C)CN1CCN(C/C=C/c2ccccc2)C[C@@H]1CCO ZINC000020778561 182246947 /nfs/dbraw/zinc/24/69/47/182246947.db2.gz MQJLKFHWELRIHH-VQFGERMISA-N 0 3 316.489 3.115 50 0 DGAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cccnc1 ZINC000024535709 182382382 /nfs/dbraw/zinc/38/23/82/182382382.db2.gz FVJFTCWJNODJST-KRWDZBQOSA-N 0 3 310.401 3.040 50 0 DGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cccnc1 ZINC000024535708 182382860 /nfs/dbraw/zinc/38/28/60/182382860.db2.gz FVJFTCWJNODJST-QGZVFWFLSA-N 0 3 310.401 3.040 50 0 DGAAHN O=C(NCC1CCN(Cc2ccco2)CC1)Nc1cccs1 ZINC000038489583 183000197 /nfs/dbraw/zinc/00/01/97/183000197.db2.gz MOFRLWZGEAECDM-UHFFFAOYSA-N 0 3 319.430 3.375 50 0 DGAAHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000040107581 183036172 /nfs/dbraw/zinc/03/61/72/183036172.db2.gz FKKIBBQBJJJFON-TXEJJXNPSA-N 0 3 312.816 3.187 50 0 DGAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000040107583 183036362 /nfs/dbraw/zinc/03/63/62/183036362.db2.gz FKKIBBQBJJJFON-VXGBXAGGSA-N 0 3 312.816 3.187 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)CC(F)(F)F)c1ccsc1 ZINC000046945916 183575004 /nfs/dbraw/zinc/57/50/04/183575004.db2.gz LYVZNUYFRXUUKL-NSHDSACASA-N 0 3 308.369 3.200 50 0 DGAAHN CN(C)C(=O)CCNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000057846987 184057427 /nfs/dbraw/zinc/05/74/27/184057427.db2.gz OMMJKFMPSYRKCX-UHFFFAOYSA-N 0 3 302.340 3.008 50 0 DGAAHN Clc1ccc(CNC[C@@H]2CNc3ccnn3C2)c(Cl)c1 ZINC000058300198 184102822 /nfs/dbraw/zinc/10/28/22/184102822.db2.gz XNJVQDOIQOCSDL-SNVBAGLBSA-N 0 3 311.216 3.021 50 0 DGAAHN Cc1nn(C)c(N(C)C)c1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000058392980 184111783 /nfs/dbraw/zinc/11/17/83/184111783.db2.gz MCNZQZKACIUOHO-SFHVURJKSA-N 0 3 312.461 3.344 50 0 DGAAHN Cc1nn(C)c(N(C)C)c1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000058392982 184112025 /nfs/dbraw/zinc/11/20/25/184112025.db2.gz MCNZQZKACIUOHO-GOSISDBHSA-N 0 3 312.461 3.344 50 0 DGAAHN CN1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000061031519 184160563 /nfs/dbraw/zinc/16/05/63/184160563.db2.gz FMBWJHMAUOLSLX-UHFFFAOYSA-N 0 3 322.452 3.296 50 0 DGAAHN CN1CCC(Oc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000065362383 184328168 /nfs/dbraw/zinc/32/81/68/184328168.db2.gz NAMLMPLQAJOHTG-UHFFFAOYSA-N 0 3 300.358 3.005 50 0 DGAAHN C[C@@H](CC(F)(F)F)NCc1cnn(-c2cccc(F)c2)c1 ZINC000065371437 184329921 /nfs/dbraw/zinc/32/99/21/184329921.db2.gz STGFPXWNRPOZGH-JTQLQIEISA-N 0 3 301.287 3.442 50 0 DGAAHN CN(C)CCSc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000066257625 184399213 /nfs/dbraw/zinc/39/92/13/184399213.db2.gz IRZMNPWDKBZUAS-UHFFFAOYSA-N 0 3 315.801 3.107 50 0 DGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000069489684 184519247 /nfs/dbraw/zinc/51/92/47/184519247.db2.gz AYOGBIUIMSCALS-IRXDYDNUSA-N 0 3 315.392 3.006 50 0 DGAAHN O=C1c2ccccc2[C@@]2(Br)C(=O)c3ccccc3C12 ZINC000001618050 285025836 /nfs/dbraw/zinc/02/58/36/285025836.db2.gz ZUDDQEGWGGRBFB-BBRMVZONSA-N 0 3 313.150 3.453 50 0 DGAAHN C[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21)C1CCC1 ZINC000156934762 197150898 /nfs/dbraw/zinc/15/08/98/197150898.db2.gz BIDHQTVRQJGVNN-HZMBPMFUSA-N 0 3 313.850 3.337 50 0 DGAAHN Cc1cc(C2CCC2)nc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000071762705 257270539 /nfs/dbraw/zinc/27/05/39/257270539.db2.gz USSJLJVRYMIVJU-SFHVURJKSA-N 0 3 308.429 3.203 50 0 DGAAHN CC[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000090920347 400082386 /nfs/dbraw/zinc/08/23/86/400082386.db2.gz ASTYGFPEHHNYBQ-GOSISDBHSA-N 0 3 309.417 3.062 50 0 DGAAHN OC[C@@H]([C@H](O)c1ccc(-c2ccccc2)cc1)N1CCCCC1 ZINC000096027518 400274030 /nfs/dbraw/zinc/27/40/30/400274030.db2.gz LOPVLYSUSHJOQX-VQTJNVASSA-N 0 3 311.425 3.234 50 0 DGAAHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000097231533 400284851 /nfs/dbraw/zinc/28/48/51/400284851.db2.gz BKHNRUYZQFZMMY-KDOFPFPSSA-N 0 3 321.428 3.280 50 0 DGAAHN CC(C)[C@@H]1CN(C)CCN1c1ncnc2c3ccccc3oc21 ZINC000072291277 400378929 /nfs/dbraw/zinc/37/89/29/400378929.db2.gz DCUYBADQUKEBJJ-AWEZNQCLSA-N 0 3 310.401 3.152 50 0 DGAAHN CN(C)CCOc1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000034578959 400385866 /nfs/dbraw/zinc/38/58/66/400385866.db2.gz PIPSJVFMXGGQLT-UHFFFAOYSA-N 0 3 320.396 3.146 50 0 DGAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C ZINC000106778995 400330833 /nfs/dbraw/zinc/33/08/33/400330833.db2.gz 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/nfs/dbraw/zinc/85/73/90/279857390.db2.gz FNVCYYJVNBETEV-SFHVURJKSA-N 0 3 316.489 3.052 50 0 DGAAHN CC(C)[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCS1 ZINC000076064621 431520513 /nfs/dbraw/zinc/52/05/13/431520513.db2.gz LNOXHCVNLMNULY-MRXNPFEDSA-N 0 3 302.443 3.102 50 0 DGAAHN CC(C)/C=C/C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012581122 431520445 /nfs/dbraw/zinc/52/04/45/431520445.db2.gz MTEGXMIIEALPJW-JXOMPUQVSA-N 0 3 314.473 3.412 50 0 DGAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(C)c(C)o2)C1 ZINC000012314823 431501453 /nfs/dbraw/zinc/50/14/53/431501453.db2.gz NRSBUKFVKPRGGZ-GOSISDBHSA-N 0 3 323.433 3.078 50 0 DGAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 ZINC000012945596 431538490 /nfs/dbraw/zinc/53/84/90/431538490.db2.gz TVDNNBUOBUZMJY-ABAIWWIYSA-N 0 3 315.804 3.339 50 0 DGAAHN C[C@@H]1CN(C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000013750110 431570914 /nfs/dbraw/zinc/57/09/14/431570914.db2.gz AZDORFUDLGFHJW-GASCZTMLSA-N 0 3 322.880 3.414 50 0 DGAAHN Cc1ccc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 ZINC000014967822 431597529 /nfs/dbraw/zinc/59/75/29/431597529.db2.gz LOLUABDMGNQODU-HNNXBMFYSA-N 0 3 318.417 3.086 50 0 DGAAHN CSCCCN1C(=O)CC[C@@H]1CCNCc1ccccc1F ZINC000014885996 431598770 /nfs/dbraw/zinc/59/87/70/431598770.db2.gz HGRVEQBWKIICPU-OAHLLOKOSA-N 0 3 324.465 3.050 50 0 DGAAHN CN(C)[C@@H](CNc1ncnc2sccc21)Cc1ccccc1 ZINC000015128906 431604221 /nfs/dbraw/zinc/60/42/21/431604221.db2.gz NSRJNKGSEVLFPI-CQSZACIVSA-N 0 3 312.442 3.276 50 0 DGAAHN CN(C)[C@H](CNC(=O)CCCc1cccs1)c1ccccc1 ZINC000025419514 431655266 /nfs/dbraw/zinc/65/52/66/431655266.db2.gz MLDWPLKHSHIETC-QGZVFWFLSA-N 0 3 316.470 3.490 50 0 DGAAHN Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1 ZINC000019688546 431618165 /nfs/dbraw/zinc/61/81/65/431618165.db2.gz FYQXZZXVHZLCKV-UHFFFAOYSA-N 0 3 302.805 3.329 50 0 DGAAHN COc1ccc(OC)c([C@@H](C)NC[C@H](O)c2ccccc2)c1 ZINC000026714743 431677579 /nfs/dbraw/zinc/67/75/79/431677579.db2.gz BTBDSUYHJYCNJB-DYVFJYSZSA-N 0 3 301.386 3.088 50 0 DGAAHN CC(=O)Nc1ccc(CNCCOc2ccc(F)c(F)c2)cc1 ZINC000078604195 431686962 /nfs/dbraw/zinc/68/69/62/431686962.db2.gz RKDJMGHHNRCJJD-UHFFFAOYSA-N 0 3 320.339 3.092 50 0 DGAAHN Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000032862772 431797098 /nfs/dbraw/zinc/79/70/98/431797098.db2.gz PNVBKIXSWZVTHP-SFHVURJKSA-N 0 3 311.429 3.097 50 0 DGAAHN COc1cccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000036847533 431841597 /nfs/dbraw/zinc/84/15/97/431841597.db2.gz GNPPSBHLDDRRRQ-KGLIPLIRSA-N 0 3 321.490 3.245 50 0 DGAAHN CN(C)C(=O)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000035286713 431828980 /nfs/dbraw/zinc/82/89/80/431828980.db2.gz JZGWWMMDCDIQEF-LJQANCHMSA-N 0 3 321.424 3.130 50 0 DGAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)NC1CC1 ZINC000036075798 431833263 /nfs/dbraw/zinc/83/32/63/431833263.db2.gz ATYNGVCOJYUWJB-CQSZACIVSA-N 0 3 307.463 3.127 50 0 DGAAHN Cc1ccc(CN(CCC(C)C)C[C@@H](O)COCC(C)C)o1 ZINC000036098056 431835518 /nfs/dbraw/zinc/83/55/18/431835518.db2.gz CYFMQMCQNCECED-QGZVFWFLSA-N 0 3 311.466 3.470 50 0 DGAAHN 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ZINC001529152699 1187536674 /nfs/dbraw/zinc/53/66/74/1187536674.db2.gz VYBXIAVJEORHQQ-NSHDSACASA-N 0 3 303.431 3.480 50 0 DGAAHN CN1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000121403562 1200212375 /nfs/dbraw/zinc/21/23/75/1200212375.db2.gz OBQUUELJJSOJOT-GFCCVEGCSA-N 0 3 319.405 3.230 50 0 DGAAHN CO[C@@H]1CCC[C@@]12CCCN(CC(=O)N(C)C1CCCCC1)C2 ZINC001704300226 1202519568 /nfs/dbraw/zinc/51/95/68/1202519568.db2.gz ZMCXHIJPDWXOHM-MJGOQNOKSA-N 0 3 322.493 3.059 50 0 DGAAHN COc1ccccc1Cc1nc([C@@H](N)C(C)C)n(C(C)(C)C)n1 ZINC000824821885 1091726361 /nfs/dbraw/zinc/72/63/61/1091726361.db2.gz PTZPBMIZCXFDLB-INIZCTEOSA-N 0 3 316.449 3.288 50 0 DGAAHN CN1CCCC[C@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000827801493 1091779571 /nfs/dbraw/zinc/77/95/71/1091779571.db2.gz MEYCJMLHBBOGLE-WCWCZOKXSA-N 0 3 304.478 3.193 50 0 DGAAHN c1cc(-c2nc3ccccc3s2)oc1CNC[C@@H]1COCO1 ZINC000585116687 1095009359 /nfs/dbraw/zinc/00/93/59/1095009359.db2.gz FTBMBKUZMHESSB-GFCCVEGCSA-N 0 3 316.382 3.019 50 0 DGAAHN c1cn(Cc2ccncc2)c(C2CCN(c3ccncc3)CC2)n1 ZINC000095496520 185374013 /nfs/dbraw/zinc/37/40/13/185374013.db2.gz SXERHIHIODQOIY-UHFFFAOYSA-N 0 3 319.412 3.105 50 0 DGAAHN COC(=O)c1ccsc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000076795433 185042228 /nfs/dbraw/zinc/04/22/28/185042228.db2.gz FZRKVPOLUPOQJV-NSHDSACASA-N 0 3 317.366 3.040 50 0 DGAAHN Cc1occc1-c1nnc(SCCN2CCC(C)CC2)n1C ZINC000079094959 185157727 /nfs/dbraw/zinc/15/77/27/185157727.db2.gz MBVNXJJVQHIKLD-UHFFFAOYSA-N 0 3 320.462 3.208 50 0 DGAAHN FC(F)(F)c1cnc([C@@H]2CCCN(Cc3cncs3)C2)[nH]1 ZINC000278755746 214377692 /nfs/dbraw/zinc/37/76/92/214377692.db2.gz SNRYCJXWRFWILE-SECBINFHSA-N 0 3 316.352 3.265 50 0 DGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1nccs1 ZINC000042739059 295678037 /nfs/dbraw/zinc/67/80/37/295678037.db2.gz TVNCMXBNNPPGSJ-CQSZACIVSA-N 0 3 316.430 3.102 50 0 DGAAHN c1ccc(CSCCCN2CCOC3(CCOCC3)C2)cc1 ZINC000090552730 185302812 /nfs/dbraw/zinc/30/28/12/185302812.db2.gz JKUPGQNHGMWXCF-UHFFFAOYSA-N 0 3 321.486 3.191 50 0 DGAAHN Fc1cccc2[nH]c(C3CCN(Cc4cccnc4)CC3)nc21 ZINC000095399456 185353714 /nfs/dbraw/zinc/35/37/14/185353714.db2.gz ILOUBZFTPSDAGM-UHFFFAOYSA-N 0 3 310.376 3.477 50 0 DGAAHN CO[C@@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)nc1 ZINC000095412284 185357810 /nfs/dbraw/zinc/35/78/10/185357810.db2.gz SLCPSCONXUPUPB-IAGOWNOFSA-N 0 3 303.450 3.119 50 0 DGAAHN CCS[C@H]1CC[C@]1(O)CNCc1cc(F)cc2cccnc21 ZINC000095415532 185358873 /nfs/dbraw/zinc/35/88/73/185358873.db2.gz MURDABJJTHXTMO-RDJZCZTQSA-N 0 3 320.433 3.110 50 0 DGAAHN COc1ccc([C@@H](O)CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000095419749 185360048 /nfs/dbraw/zinc/36/00/48/185360048.db2.gz NXBGJBMPCOUXPW-ROUUACIJSA-N 0 3 301.361 3.145 50 0 DGAAHN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)NC1CCCCCC1 ZINC000095426852 185361890 /nfs/dbraw/zinc/36/18/90/185361890.db2.gz VVSVMOWNXVDSFO-ZBFHGGJFSA-N 0 3 312.479 3.063 50 0 DGAAHN O[C@@H](CN1C[C@@H]2CC=CC[C@@H]2C1)c1cccc(Br)c1 ZINC000097002812 185396373 /nfs/dbraw/zinc/39/63/73/185396373.db2.gz PSLKCLXFJFHQAP-LZWOXQAQSA-N 0 3 322.246 3.381 50 0 DGAAHN CCOC[C@H](O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000095431929 185363403 /nfs/dbraw/zinc/36/34/03/185363403.db2.gz AEYFRRUMEQUPLU-CRAIPNDOSA-N 0 3 302.418 3.092 50 0 DGAAHN CCC(=O)N1CC[C@@H](N[C@H]2CCCSc3ccccc32)C1 ZINC000095423873 185361182 /nfs/dbraw/zinc/36/11/82/185361182.db2.gz QDKINYMPRFGIRF-HIFRSBDPSA-N 0 3 304.459 3.214 50 0 DGAAHN Cc1c(F)cccc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000095467134 185371973 /nfs/dbraw/zinc/37/19/73/185371973.db2.gz UCFMFMMHAZYJHV-ZDUSSCGKSA-N 0 3 307.413 3.328 50 0 DGAAHN CC(=O)NC1CCN(c2c(C)c(C)nc3ccc(F)cc32)CC1 ZINC000097144713 185415633 /nfs/dbraw/zinc/41/56/33/185415633.db2.gz RYMBNWYKZBQOPL-UHFFFAOYSA-N 0 3 315.392 3.096 50 0 DGAAHN CNCc1cccc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c1 ZINC000296813823 530009300 /nfs/dbraw/zinc/00/93/00/530009300.db2.gz AEDAKUDZDOBRKC-PXNSSMCTSA-N 0 3 322.408 3.085 50 0 DGAAHN Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055748995 282377956 /nfs/dbraw/zinc/37/79/56/282377956.db2.gz 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/nfs/dbraw/zinc/96/73/88/432967388.db2.gz LHORUAZIJPXSDK-IBGZPJMESA-N 0 3 315.461 3.477 50 0 DGAAHN CCc1oc2ccccc2c1CN(C)CCN1CCCOCC1 ZINC000361285930 433080694 /nfs/dbraw/zinc/08/06/94/433080694.db2.gz FHMCPAJCFBWHGR-UHFFFAOYSA-N 0 3 316.445 3.149 50 0 DGAAHN Cc1ccc([C@H]2CCCCN2CCN2CCCOCC2)cc1 ZINC000361315303 433098172 /nfs/dbraw/zinc/09/81/72/433098172.db2.gz UEQFMIRLWHPXCG-LJQANCHMSA-N 0 3 302.462 3.244 50 0 DGAAHN CN1CCC([C@@](O)(c2ccccc2)c2cccc(Cl)n2)CC1 ZINC000002529377 289894419 /nfs/dbraw/zinc/89/44/19/289894419.db2.gz LMPGJYLFIUIRRY-SFHVURJKSA-N 0 3 316.832 3.313 50 0 DGAAHN FC(F)(F)[C@@H]1CCC[C@@H](NCc2nnc3n2CCCCC3)C1 ZINC000129186665 294674089 /nfs/dbraw/zinc/67/40/89/294674089.db2.gz SSEJVMFFPXUXBF-VXGBXAGGSA-N 0 3 316.371 3.215 50 0 DGAAHN CCn1nncc1CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000417962060 434558292 /nfs/dbraw/zinc/55/82/92/434558292.db2.gz BUPSWAHAOAUNFG-MRXNPFEDSA-N 0 3 300.381 3.163 50 0 DGAAHN C[C@@H](CN1CCCCC1)NCc1cc(-c2ccc(F)cc2)no1 ZINC000534642855 334306005 /nfs/dbraw/zinc/30/60/05/334306005.db2.gz CBVZOTSYQBTMAW-AWEZNQCLSA-N 0 3 317.408 3.445 50 0 DGAAHN CC[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1ccccn1 ZINC000534657430 334314441 /nfs/dbraw/zinc/31/44/41/334314441.db2.gz RQWFTYILWVLCOI-HNNXBMFYSA-N 0 3 301.434 3.058 50 0 DGAAHN C/C=C1\CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(O)cc21 ZINC000045302606 518556600 /nfs/dbraw/zinc/55/66/00/518556600.db2.gz VBKQRUUVDAWDIP-BUOMXOLISA-N 0 3 310.397 3.014 50 0 DGAAHN O[C@@H](CN[C@@H]1CCc2c1cccc2Br)c1ccco1 ZINC000091281848 545834784 /nfs/dbraw/zinc/83/47/84/545834784.db2.gz KTPOAYVGIVDAGN-KGLIPLIRSA-N 0 3 322.202 3.353 50 0 DGAAHN COc1ccc(-c2ccc(CN(C)C[C@H]3CCCN3C)o2)cc1 ZINC000215151604 546261502 /nfs/dbraw/zinc/26/15/02/546261502.db2.gz WTYALFYADAVYAN-MRXNPFEDSA-N 0 3 314.429 3.481 50 0 DGAAHN Cc1nc(C)c(CNCC(C)(C)N2CCc3ccccc3C2)o1 ZINC000585118412 547025201 /nfs/dbraw/zinc/02/52/01/547025201.db2.gz NMRZTUYLAAMLIA-UHFFFAOYSA-N 0 3 313.445 3.218 50 0 DGAAHN Cc1ccc(F)c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1Cl ZINC000670438317 547754942 /nfs/dbraw/zinc/75/49/42/547754942.db2.gz LZKSNTNAYMMVJT-ZDUSSCGKSA-N 0 3 324.827 3.488 50 0 DGAAHN COc1cccc(N2CCN([C@@H]3CCSC3)CC2(C)C)c1 ZINC000670456240 547756534 /nfs/dbraw/zinc/75/65/34/547756534.db2.gz ZRYHSUOULSIBDU-OAHLLOKOSA-N 0 3 306.475 3.101 50 0 DGAAHN C[C@@H](NCc1ccc(N(C)C)nc1)c1ccccc1-n1cccn1 ZINC000675743727 548264118 /nfs/dbraw/zinc/26/41/18/548264118.db2.gz OMYDYFJXZBOCKK-OAHLLOKOSA-N 0 3 321.428 3.184 50 0 DGAAHN CC[C@H]1CN(CC2Cc3ccccc3C2)CCN1CC(F)F ZINC000585085007 574817738 /nfs/dbraw/zinc/81/77/38/574817738.db2.gz MXWRDRUPKJBDMC-KRWDZBQOSA-N 0 3 308.416 3.063 50 0 DGAAHN C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1cnc(Cl)n1C ZINC000888098315 618625443 /nfs/dbraw/zinc/62/54/43/618625443.db2.gz GEQQLRBSZJILSQ-OCCSQVGLSA-N 0 3 322.840 3.154 50 0 DGAAHN CC(C)Cn1cc(CNC[C@](C)(O)c2cccc(Cl)c2)cn1 ZINC000185116744 660202681 /nfs/dbraw/zinc/20/26/81/660202681.db2.gz OWJFYYBZXAQVOC-KRWDZBQOSA-N 0 3 321.852 3.190 50 0 DGAAHN CC(C)Cn1cc(CNC[C@@](C)(O)c2cccc(Cl)c2)cn1 ZINC000185116758 660202730 /nfs/dbraw/zinc/20/27/30/660202730.db2.gz OWJFYYBZXAQVOC-QGZVFWFLSA-N 0 3 321.852 3.190 50 0 DGAAHN COc1cccc(CN2CCC[C@H](NCc3ccc(C)o3)C2)c1 ZINC000022851232 655754642 /nfs/dbraw/zinc/75/46/42/655754642.db2.gz VAYGGWJBXQHONV-KRWDZBQOSA-N 0 3 314.429 3.351 50 0 DGAAHN CCNc1ncc(C(=O)Nc2ccc(C)cc2CN(C)C)s1 ZINC000177162910 655915777 /nfs/dbraw/zinc/91/57/77/655915777.db2.gz GHMXWIUKSJLQKJ-UHFFFAOYSA-N 0 3 318.446 3.197 50 0 DGAAHN Clc1ccc(OC2CCN(CCn3ccnc3)CC2)cc1 ZINC000019794872 656066254 /nfs/dbraw/zinc/06/62/54/656066254.db2.gz XVJRZESWFVRSMI-UHFFFAOYSA-N 0 3 305.809 3.080 50 0 DGAAHN CC(C)CN1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299762841 656224683 /nfs/dbraw/zinc/22/46/83/656224683.db2.gz BQIKISSBFVMUCQ-LJQANCHMSA-N 0 3 312.413 3.014 50 0 DGAAHN CO[C@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 ZINC000076343668 661978801 /nfs/dbraw/zinc/97/88/01/661978801.db2.gz OCYLJAXQCNBPPT-LBPRGKRZSA-N 0 3 303.324 3.195 50 0 DGAAHN CO[C@@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 ZINC000076343667 661978825 /nfs/dbraw/zinc/97/88/25/661978825.db2.gz OCYLJAXQCNBPPT-GFCCVEGCSA-N 0 3 303.324 3.195 50 0 DGAAHN Cc1ncsc1CCN(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000952966554 662208858 /nfs/dbraw/zinc/20/88/58/662208858.db2.gz KFYRPEFRQPEZJC-UHFFFAOYSA-N 0 3 302.403 3.109 50 0 DGAAHN CCOc1ccc(CCCNC(=O)[C@@H]2CCCCCN2C)cc1 ZINC000952978679 662209711 /nfs/dbraw/zinc/20/97/11/662209711.db2.gz RZDJYLFWLOCELL-SFHVURJKSA-N 0 3 318.461 3.009 50 0 DGAAHN CC[C@@H](C(=O)NCCOc1cccc2ccccc21)N(C)CC ZINC000952985293 662210360 /nfs/dbraw/zinc/21/03/60/662210360.db2.gz RSPGVGFSTUWGNL-KRWDZBQOSA-N 0 3 314.429 3.065 50 0 DGAAHN COc1ccc([C@H](C)NCCc2nc(C(C)C)no2)c(F)c1 ZINC000089578770 662245230 /nfs/dbraw/zinc/24/52/30/662245230.db2.gz LMELXKGZVUNVKL-NSHDSACASA-N 0 3 307.369 3.234 50 0 DGAAHN Cc1cccc(Cl)c1CN(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001704299900 1202519476 /nfs/dbraw/zinc/51/94/76/1202519476.db2.gz UVUWPKDPPWDKIX-QLFBSQMISA-N 0 3 320.864 3.337 50 0 DGAAHN Cc1cc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)ccc1F ZINC001704315871 1202520496 /nfs/dbraw/zinc/52/04/96/1202520496.db2.gz PVRUNXNSLXHTKB-KRWDZBQOSA-N 0 3 307.409 3.030 50 0 DGAAHN CC(C)c1ncncc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000585133586 1095034629 /nfs/dbraw/zinc/03/46/29/1095034629.db2.gz MQOMKLPNQVPATK-UHFFFAOYSA-N 0 3 323.400 3.379 50 0 DGAAHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)C1=Cc2ccccc2OC1 ZINC000952876939 1096783729 /nfs/dbraw/zinc/78/37/29/1096783729.db2.gz ISMVDOAEJIOGTB-YHJVDBJQSA-N 0 3 307.393 3.099 50 0 DGAAHN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)C1=Cc2ccccc2OC1 ZINC000952876936 1096784242 /nfs/dbraw/zinc/78/42/42/1096784242.db2.gz ISMVDOAEJIOGTB-CYFNAFFESA-N 0 3 307.393 3.099 50 0 DGAAHN FC(F)(F)c1cc([C@H]2CCCN(CCOCC3CC3)C2)[nH]n1 ZINC000078900980 185125937 /nfs/dbraw/zinc/12/59/37/185125937.db2.gz NRAJCDXOLKFZPB-LBPRGKRZSA-N 0 3 317.355 3.035 50 0 DGAAHN COc1ccc(Cl)cc1N1CC[C@H](NCc2ccccn2)C1 ZINC000078979912 185139822 /nfs/dbraw/zinc/13/98/22/185139822.db2.gz 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ZINC000071749571 191022455 /nfs/dbraw/zinc/02/24/55/191022455.db2.gz GLTVXIOAPYPCKY-QGZVFWFLSA-N 0 3 324.415 3.244 50 0 DGAAHN Cc1cccnc1CN1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000072128163 191043867 /nfs/dbraw/zinc/04/38/67/191043867.db2.gz RMTPICQQNQAZOS-GOSISDBHSA-N 0 3 309.457 3.311 50 0 DGAAHN c1ccc2c(c1)ncnc2N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000072149964 191056203 /nfs/dbraw/zinc/05/62/03/191056203.db2.gz XGCOJMLOWOHGTK-MRXNPFEDSA-N 0 3 308.429 3.108 50 0 DGAAHN OCc1cc(CN[C@@H]2CCCNc3ccccc32)ccc1F ZINC000225576459 186279632 /nfs/dbraw/zinc/27/96/32/186279632.db2.gz AMCTYVCQTUEZCW-GOSISDBHSA-N 0 3 300.377 3.355 50 0 DGAAHN Cc1cc(NC[C@@H](c2ccccc2C)N(C)C)n2nccc2n1 ZINC000072425678 191159936 /nfs/dbraw/zinc/15/99/36/191159936.db2.gz VMOBYRYCYGNVJJ-INIZCTEOSA-N 0 3 309.417 3.061 50 0 DGAAHN Cc1cc(N2CCC[C@@H](CCc3ccccc3F)C2)nc(N)n1 ZINC000072438766 191167892 /nfs/dbraw/zinc/16/78/92/191167892.db2.gz DQIFQDYMOZMEQK-AWEZNQCLSA-N 0 3 314.408 3.356 50 0 DGAAHN CC(=O)Nc1ccc(CN[C@@H](C)COc2ccccc2F)cc1 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321.424 3.280 50 0 DGAAHN CSc1ccc2c(c1)CCN(CCCn1ccnc1C)C2 ZINC000243893237 432819473 /nfs/dbraw/zinc/81/94/73/432819473.db2.gz APRDOMYQEUZNBN-UHFFFAOYSA-N 0 3 301.459 3.362 50 0 DGAAHN O[C@H]1C[C@@H]([C@@H](Cc2ccccn2)Nc2ccnc3ccccc32)C1 ZINC000244673554 432821992 /nfs/dbraw/zinc/82/19/92/432821992.db2.gz HRKVFCOAGLAFDV-PTSWNOGYSA-N 0 3 319.408 3.424 50 0 DGAAHN C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)CC1 ZINC000244748779 432822107 /nfs/dbraw/zinc/82/21/07/432822107.db2.gz OOFMDBCRTDMDJW-BRWVUGGUSA-N 0 3 318.461 3.434 50 0 DGAAHN O[C@H]1C[C@@H]([C@H](Cc2ccccn2)Nc2ccnc3ccccc32)C1 ZINC000244673553 432822692 /nfs/dbraw/zinc/82/26/92/432822692.db2.gz HRKVFCOAGLAFDV-NBQZKYEYSA-N 0 3 319.408 3.424 50 0 DGAAHN CN(Cc1ccccc1OCc1cccnc1)[C@@H]1CCC[C@H]1O ZINC000289207494 432933261 /nfs/dbraw/zinc/93/32/61/432933261.db2.gz BSZXUGADGODOTH-QZTJIDSGSA-N 0 3 312.413 3.006 50 0 DGAAHN Cc1ccc(Cc2noc(C3CCN(C4CC4)CC3)n2)s1 ZINC000289259275 432938908 /nfs/dbraw/zinc/93/89/08/432938908.db2.gz 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VUUNOWAMTDTFAO-LBPRGKRZSA-N 0 3 302.447 3.014 50 0 DGAAHN Cc1ccc(C)c(OCCN2CCC(c3ccnn3C)CC2)c1 ZINC000195503489 323491500 /nfs/dbraw/zinc/49/15/00/323491500.db2.gz NULBGKLIYKYTTM-UHFFFAOYSA-N 0 3 313.445 3.295 50 0 DGAAHN O=C(NCCc1ccncc1)c1ccc(CN2CCCCC2)cc1 ZINC000095366055 332169555 /nfs/dbraw/zinc/16/95/55/332169555.db2.gz ODVHGUQOVXSKDB-UHFFFAOYSA-N 0 3 323.440 3.040 50 0 DGAAHN Cc1ccsc1-c1cccc(C(=O)N(C)[C@@H]2CCN(C)C2)c1 ZINC000299777466 534454681 /nfs/dbraw/zinc/45/46/81/534454681.db2.gz JXZNIGIHDWUGDD-MRXNPFEDSA-N 0 3 314.454 3.500 50 0 DGAAHN Fc1ccc(CNC2CCN(c3ccccn3)CC2)c(F)c1 ZINC000078969115 526336856 /nfs/dbraw/zinc/33/68/56/526336856.db2.gz NJJVHVQAGARHSQ-UHFFFAOYSA-N 0 3 303.356 3.118 50 0 DGAAHN CC(C)N(C)c1ccc(CN2CC[C@H](C3CCOCC3)C2)cn1 ZINC000328588838 528841973 /nfs/dbraw/zinc/84/19/73/528841973.db2.gz RLSDVJJRLZTKOD-SFHVURJKSA-N 0 3 317.477 3.175 50 0 DGAAHN Cc1noc(C)c1CCCNCc1cccc2c1OCCCO2 ZINC000084958937 545795990 /nfs/dbraw/zinc/79/59/90/545795990.db2.gz KCAJZPYDNVWVJF-UHFFFAOYSA-N 0 3 316.401 3.175 50 0 DGAAHN C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccccc1N(C)C ZINC000090779787 545831236 /nfs/dbraw/zinc/83/12/36/545831236.db2.gz QKTAFNYVPHBCRC-QRWLVFNGSA-N 0 3 310.441 3.237 50 0 DGAAHN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCc2ccccn2)cc1 ZINC000240333697 546294578 /nfs/dbraw/zinc/29/45/78/546294578.db2.gz FESNETMJHVHIKH-HDICACEKSA-N 0 3 322.408 3.357 50 0 DGAAHN CC1(C)C[C@@H](O)CCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670467499 547758331 /nfs/dbraw/zinc/75/83/31/547758331.db2.gz UNMAFVLTLIUTCW-LBPRGKRZSA-N 0 3 302.340 3.083 50 0 DGAAHN CN(Cc1ccc(F)c(C(F)(F)F)c1)CC1(CO)CCC1 ZINC000670468912 547758380 /nfs/dbraw/zinc/75/83/80/547758380.db2.gz UYTCXNCYQZVNRW-UHFFFAOYSA-N 0 3 305.315 3.439 50 0 DGAAHN C[C@H](NCc1ccc(N(C)C)nc1)c1ccccc1-n1cccn1 ZINC000675743726 548264004 /nfs/dbraw/zinc/26/40/04/548264004.db2.gz OMYDYFJXZBOCKK-HNNXBMFYSA-N 0 3 321.428 3.184 50 0 DGAAHN COc1ccc([C@H]2CCN(C(=O)C[C@H](N)c3ccccc3)C2)cc1 ZINC000170050477 563903408 /nfs/dbraw/zinc/90/34/08/563903408.db2.gz VOBXXFMDMYUACM-HKUYNNGSSA-N 0 3 324.424 3.101 50 0 DGAAHN C[C@H]1c2ccccc2CCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000106862663 627545090 /nfs/dbraw/zinc/54/50/90/627545090.db2.gz NDSWTNRXSQVDOE-AWEZNQCLSA-N 0 3 319.408 3.085 50 0 DGAAHN COc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)cc(OC)c1O ZINC000022018230 655588989 /nfs/dbraw/zinc/58/89/89/655588989.db2.gz RDNDTCZHCGMKQL-KRWDZBQOSA-N 0 3 324.380 3.126 50 0 DGAAHN COc1cccc(CN2CCC[C@@H](NCc3ccc(C)o3)C2)c1 ZINC000022851230 655754551 /nfs/dbraw/zinc/75/45/51/655754551.db2.gz VAYGGWJBXQHONV-QGZVFWFLSA-N 0 3 314.429 3.351 50 0 DGAAHN Cc1cc(CCN2CCC(Oc3ccccc3F)CC2)on1 ZINC000020481612 658715226 /nfs/dbraw/zinc/71/52/26/658715226.db2.gz QPKZDVMWWKOBIP-UHFFFAOYSA-N 0 3 304.365 3.208 50 0 DGAAHN Cc1nc(C(F)(F)F)c(CN(C)C[C@H]2CCCOC2)s1 ZINC000183583359 660124961 /nfs/dbraw/zinc/12/49/61/660124961.db2.gz XSMBDLGGDLRMJH-SNVBAGLBSA-N 0 3 308.369 3.329 50 0 DGAAHN Cc1ccsc1CN[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191770726 662080737 /nfs/dbraw/zinc/08/07/37/662080737.db2.gz TUNICKWYPVILPK-OAHLLOKOSA-N 0 3 318.417 3.086 50 0 DGAAHN CN1CCCCC[C@@H]1C(=O)NCCCc1ccccc1Cl ZINC000952965669 662208879 /nfs/dbraw/zinc/20/88/79/662208879.db2.gz STRLPJQBOQMULN-MRXNPFEDSA-N 0 3 308.853 3.263 50 0 DGAAHN Cc1cc(N[C@@H]2CC(=O)N(C)C2)c2ccc(C(F)(F)F)cc2n1 ZINC001704342021 1202521710 /nfs/dbraw/zinc/52/17/10/1202521710.db2.gz BZJNRWJPSVCBSK-LLVKDONJSA-N 0 3 323.318 3.205 50 0 DGAAHN Cc1nccn1CCN(C)Cc1cc(C2CCCCC2)no1 ZINC001704352278 1202522537 /nfs/dbraw/zinc/52/25/37/1202522537.db2.gz WWNKGWHYVCKFON-UHFFFAOYSA-N 0 3 302.422 3.359 50 0 DGAAHN CN1CCCC[C@@H]1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000827801494 1091779546 /nfs/dbraw/zinc/77/95/46/1091779546.db2.gz MEYCJMLHBBOGLE-YMVOSSCXSA-N 0 3 304.478 3.193 50 0 DGAAHN COCC[C@@H](C)NCc1cc(Br)cnc1Cl ZINC000585089179 1094992718 /nfs/dbraw/zinc/99/27/18/1094992718.db2.gz ZYEKCQXJUNJOPU-MRVPVSSYSA-N 0 3 307.619 3.012 50 0 DGAAHN c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3ccncc3)C2)n1 ZINC000095499909 185374575 /nfs/dbraw/zinc/37/45/75/185374575.db2.gz DRCALIYZRDNVCQ-QGZVFWFLSA-N 0 3 319.412 3.105 50 0 DGAAHN CS(=O)(=O)CCCN1CCC[C@@H]1c1cccc2ccccc21 ZINC000103141445 432003480 /nfs/dbraw/zinc/00/34/80/432003480.db2.gz BRBPUWCDHPEWOT-GOSISDBHSA-N 0 3 317.454 3.411 50 0 DGAAHN FC(F)(F)c1c[nH]c([C@H]2CCCN(C[C@@H]3CCC=CO3)C2)n1 ZINC000278646562 214300188 /nfs/dbraw/zinc/30/01/88/214300188.db2.gz JGJAHMQGZSFPHU-RYUDHWBXSA-N 0 3 315.339 3.301 50 0 DGAAHN CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@H](CC)C1 ZINC000089949159 185271210 /nfs/dbraw/zinc/27/12/10/185271210.db2.gz ZUJJUNHZHFKKHQ-DOMZBBRYSA-N 0 3 321.490 3.147 50 0 DGAAHN Cn1ccnc1[C@@H]1CCCN(CCCOc2ccc(F)cc2)C1 ZINC000082086779 192354428 /nfs/dbraw/zinc/35/44/28/192354428.db2.gz YALTUKOCOLSOTQ-OAHLLOKOSA-N 0 3 317.408 3.208 50 0 DGAAHN Fc1cccc(-n2cc(CN3CCC[C@@]4(CCOC4)C3)cn2)c1 ZINC000095391091 185351414 /nfs/dbraw/zinc/35/14/14/185351414.db2.gz NHFBIAOJTWDRCN-GOSISDBHSA-N 0 3 315.392 3.014 50 0 DGAAHN OC[C@@H](CNCc1cnc(C2CCC2)s1)c1ccccc1 ZINC000095415536 185358876 /nfs/dbraw/zinc/35/88/76/185358876.db2.gz SZDFAFHXBVQGEQ-OAHLLOKOSA-N 0 3 302.443 3.276 50 0 DGAAHN Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000095418310 185359471 /nfs/dbraw/zinc/35/94/71/185359471.db2.gz SQFQXDXUSPEOHV-SWLSCSKDSA-N 0 3 309.841 3.452 50 0 DGAAHN Fc1ccc(CCN2CCC(NCc3ccco3)CC2)cc1 ZINC000095419189 185359738 /nfs/dbraw/zinc/35/97/38/185359738.db2.gz RCYKXQMBAJBGJH-UHFFFAOYSA-N 0 3 302.393 3.215 50 0 DGAAHN c1ccc(C[C@@H](NCc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000095419382 185359904 /nfs/dbraw/zinc/35/99/04/185359904.db2.gz RLJDOLBPQHYECT-QGZVFWFLSA-N 0 3 310.445 3.115 50 0 DGAAHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000095410455 185357153 /nfs/dbraw/zinc/35/71/53/185357153.db2.gz ZQBGHHMWLOJLDG-BMFZPTHFSA-N 0 3 319.424 3.073 50 0 DGAAHN Cc1nnc(NC[C@H](c2ccc(C)cc2)N2CCCC2)s1 ZINC000097002690 185396407 /nfs/dbraw/zinc/39/64/07/185396407.db2.gz OQNBAKFEVFZDOU-OAHLLOKOSA-N 0 3 302.447 3.404 50 0 DGAAHN COc1ccc2c(c1)[C@@H](NCCc1c(C)noc1C)CCCO2 ZINC000095422129 185360708 /nfs/dbraw/zinc/36/07/08/185360708.db2.gz VLMBVIKKVZVGSB-KRWDZBQOSA-N 0 3 316.401 3.346 50 0 DGAAHN Cc1nc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)cs1 ZINC000095422166 185360965 /nfs/dbraw/zinc/36/09/65/185360965.db2.gz LNLWYKMUSDDCEK-CYBMUJFWSA-N 0 3 316.474 3.162 50 0 DGAAHN CCC(=O)N1CC[C@@H](N[C@@H]2CCCSc3ccccc32)C1 ZINC000095423871 185361037 /nfs/dbraw/zinc/36/10/37/185361037.db2.gz QDKINYMPRFGIRF-UKRRQHHQSA-N 0 3 304.459 3.214 50 0 DGAAHN Cc1cccn2c(CN[C@H](C)C[C@@H](O)c3ccccc3)cnc12 ZINC000095448816 185368333 /nfs/dbraw/zinc/36/83/33/185368333.db2.gz NXWDYXDPSSRCGI-CRAIPNDOSA-N 0 3 309.413 3.245 50 0 DGAAHN CC[C@@](C)(COc1ncccc1Cl)NCc1cnn(C)c1C ZINC000095440163 185365898 /nfs/dbraw/zinc/36/58/98/185365898.db2.gz UFXXZKHITOSQFH-INIZCTEOSA-N 0 3 322.840 3.114 50 0 DGAAHN CN(C)CCNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000095460913 185370854 /nfs/dbraw/zinc/37/08/54/185370854.db2.gz HAIKJLHJMCYAIP-UHFFFAOYSA-N 0 3 324.856 3.013 50 0 DGAAHN C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 ZINC000095463500 185371103 /nfs/dbraw/zinc/37/11/03/185371103.db2.gz UDNJZZKHWSPBAF-RDTXWAMCSA-N 0 3 317.429 3.443 50 0 DGAAHN CCOC(=O)N(C)C1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000097032731 185399414 /nfs/dbraw/zinc/39/94/14/185399414.db2.gz PAKIFABMOPUXDF-UHFFFAOYSA-N 0 3 315.417 3.221 50 0 DGAAHN Cc1c(CN2CCC[C@@H](COc3cccc(F)c3)C2)cnn1C ZINC000072128405 191042719 /nfs/dbraw/zinc/04/27/19/191042719.db2.gz IAUFTBDZAJASGN-OAHLLOKOSA-N 0 3 317.408 3.159 50 0 DGAAHN OCCCCCCN1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072169653 191068609 /nfs/dbraw/zinc/06/86/09/191068609.db2.gz IERNTNLXKMAOBV-INIZCTEOSA-N 0 3 305.397 3.392 50 0 DGAAHN C[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)N1CCCCCC1 ZINC000072300312 191114257 /nfs/dbraw/zinc/11/42/57/191114257.db2.gz AOTPZTFIZZQXID-CABCVRRESA-N 0 3 321.490 3.114 50 0 DGAAHN CCCCN1CCc2nc[nH]c2[C@H]1c1ccc(-n2ccnc2)cc1 ZINC000072411589 191154548 /nfs/dbraw/zinc/15/45/48/191154548.db2.gz 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/nfs/dbraw/zinc/15/64/75/181156475.db2.gz OOORMPLAZXXCBH-FUHWJXTLSA-N 0 3 301.430 3.346 50 0 DGAAHN OCCN(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000004987049 181185062 /nfs/dbraw/zinc/18/50/62/181185062.db2.gz AQXLOQKVLWCEKE-UHFFFAOYSA-N 0 3 320.230 3.444 50 0 DGAAHN CCOC(=O)C1CCN(Cc2cc(C)c(OC)cc2C)CC1 ZINC000004990246 181185844 /nfs/dbraw/zinc/18/58/44/181185844.db2.gz HUJMPUYNTBCMHQ-UHFFFAOYSA-N 0 3 305.418 3.087 50 0 DGAAHN Cc1cc(Br)ccc1-c1ccc(CNC[C@@H](C)O)o1 ZINC000004999730 181188112 /nfs/dbraw/zinc/18/81/12/181188112.db2.gz FILFBWYYZNLJMW-LLVKDONJSA-N 0 3 324.218 3.488 50 0 DGAAHN CC(=O)NC1CCC(NCc2ccccc2OC2CCC2)CC1 ZINC000133533550 432066097 /nfs/dbraw/zinc/06/60/97/432066097.db2.gz JQGRNDSPQNGLNU-UHFFFAOYSA-N 0 3 316.445 3.155 50 0 DGAAHN CC[C@@H](C)N(Cc1ccc(C)o1)C[C@@H](O)COCc1ccco1 ZINC000169679266 432071364 /nfs/dbraw/zinc/07/13/64/432071364.db2.gz AFPFLSLMUWCZEJ-GDBMZVCRSA-N 0 3 321.417 3.359 50 0 DGAAHN CC[C@H](C)N(Cc1ccc(C)o1)C[C@@H](O)COCc1ccco1 ZINC000169679267 432071653 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/nfs/dbraw/zinc/08/71/21/193087121.db2.gz NLLOVTFZVJDWTC-MRXNPFEDSA-N 0 3 306.475 3.241 50 0 DGAAHN CC[C@@H](NCc1cc(=O)c2c(C)ccc(C)c2[nH]1)c1cnn(C)c1 ZINC000091636100 193082804 /nfs/dbraw/zinc/08/28/04/193082804.db2.gz YHYGEMRQYWAGMG-MRXNPFEDSA-N 0 3 324.428 3.119 50 0 DGAAHN CCCCn1nc(CC2CCN(C)CC2)nc1-c1ccncc1 ZINC000091964975 193134185 /nfs/dbraw/zinc/13/41/85/193134185.db2.gz SNTFQRXPZZFKRF-UHFFFAOYSA-N 0 3 313.449 3.025 50 0 DGAAHN Cn1cccc1CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000093581870 193270192 /nfs/dbraw/zinc/27/01/92/193270192.db2.gz ONAUFKQJXVGYQC-UHFFFAOYSA-N 0 3 312.339 3.147 50 0 DGAAHN OCc1ccc(CN2CC[C@H](CSc3ccccc3)C2)o1 ZINC000093757069 193301126 /nfs/dbraw/zinc/30/11/26/193301126.db2.gz GCDUNBKIJLFZEG-AWEZNQCLSA-N 0 3 303.427 3.386 50 0 DGAAHN c1cc(-c2cccnc2)oc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000093865782 193321305 /nfs/dbraw/zinc/32/13/05/193321305.db2.gz OMTIXHVIJSZSAD-GOSISDBHSA-N 0 3 321.380 3.390 50 0 DGAAHN CCCCN1CCc2nc(Nc3ccccc3OC)ncc2C1 ZINC000015778861 182016728 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/nfs/dbraw/zinc/25/86/43/182258643.db2.gz YPKCDBZOFAVJQT-IBGZPJMESA-N 0 3 318.505 3.218 50 0 DGAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC(O)CC2)cc1 ZINC000022053576 182307176 /nfs/dbraw/zinc/30/71/76/182307176.db2.gz HUFTWIJFTZKVMR-UHFFFAOYSA-N 0 3 303.446 3.404 50 0 in-vitro DGAAHN CC(C)CCN1CCN(Cc2ccccc2Cl)C[C@@H]1CCO ZINC000022851428 182336854 /nfs/dbraw/zinc/33/68/54/182336854.db2.gz IGHOOLCYHLFTPZ-KRWDZBQOSA-N 0 3 324.896 3.255 50 0 DGAAHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000040107593 183036353 /nfs/dbraw/zinc/03/63/53/183036353.db2.gz AIZIHTVOFCCXMT-TXEJJXNPSA-N 0 3 312.816 3.187 50 0 DGAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2)o1 ZINC000040555261 183101914 /nfs/dbraw/zinc/10/19/14/183101914.db2.gz YWLIPWJELDMBLP-UHFFFAOYSA-N 0 3 301.390 3.184 50 0 DGAAHN c1ccc(CN2CCC[C@@H]2[C@H]2CCCN2Cc2ccccn2)nc1 ZINC000042784423 183309138 /nfs/dbraw/zinc/30/91/38/183309138.db2.gz XMBZMHWNENRJHR-WOJBJXKFSA-N 0 3 322.456 3.106 50 0 DGAAHN CC(C)(C)CN1CCN(Cc2cccc(Cl)c2)C[C@H]1CCO ZINC000104434134 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ZINC000058227072 184091092 /nfs/dbraw/zinc/09/10/92/184091092.db2.gz QNIPHJOUGDLJHR-UHFFFAOYSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1cccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)c1 ZINC000058264321 184095435 /nfs/dbraw/zinc/09/54/35/184095435.db2.gz MRMZQYKYMUDBKK-UHFFFAOYSA-N 0 3 323.400 3.148 50 0 DGAAHN Cn1nccc1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000058305279 184103340 /nfs/dbraw/zinc/10/33/40/184103340.db2.gz VWXFVCBYVGQKCI-UHFFFAOYSA-N 0 3 322.412 3.455 50 0 DGAAHN CN(C)[C@@H](CNC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000060321941 184145948 /nfs/dbraw/zinc/14/59/48/184145948.db2.gz DKPCJHOCLMZEBJ-SFHVURJKSA-N 0 3 319.408 3.268 50 0 DGAAHN Cc1cc2oc(=O)cc(CNCCc3ccccn3)c2cc1C ZINC000065387018 184334120 /nfs/dbraw/zinc/33/41/20/184334120.db2.gz MTJQVIAUIHPTSJ-UHFFFAOYSA-N 0 3 308.381 3.137 50 0 DGAAHN Cn1cccc1CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286841 184322079 /nfs/dbraw/zinc/32/20/79/184322079.db2.gz DGIVACMDTRNRRK-MRXNPFEDSA-N 0 3 321.428 3.190 50 0 DGAAHN CN1CCC(Oc2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000065365151 184328737 /nfs/dbraw/zinc/32/87/37/184328737.db2.gz WZDTVMIUGCLUQU-UHFFFAOYSA-N 0 3 324.424 3.341 50 0 DGAAHN C[C@@H](c1cccc(-c2nc(C(N)=O)cs2)c1)N1CCCC1 ZINC000065373512 184330485 /nfs/dbraw/zinc/33/04/85/184330485.db2.gz JPJKJFXRFOXPGA-NSHDSACASA-N 0 3 301.415 3.066 50 0 DGAAHN Cc1nc(-c2ccsc2)sc1C(=O)NCCN(C)C1CC1 ZINC000065449418 184346339 /nfs/dbraw/zinc/34/63/39/184346339.db2.gz IIEUZWBVDUFJOS-UHFFFAOYSA-N 0 3 321.471 3.004 50 0 DGAAHN NC(=O)c1ccc(CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000065522277 184359248 /nfs/dbraw/zinc/35/92/48/184359248.db2.gz IAAACPXHSHKFFI-UHFFFAOYSA-N 0 3 312.388 3.484 50 0 DGAAHN CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2ccc([O-])c(F)c2)CC1 ZINC000065526154 184359601 /nfs/dbraw/zinc/35/96/01/184359601.db2.gz KZHDWDVHNHAUQS-ZDUSSCGKSA-N 0 3 322.424 3.221 50 0 DGAAHN Cc1ccc(NC(=O)CN[C@H](C)Cc2ccsc2)cc1F ZINC000065533460 184361906 /nfs/dbraw/zinc/36/19/06/184361906.db2.gz BLDMVRGUZRIRGI-GFCCVEGCSA-N 0 3 306.406 3.355 50 0 DGAAHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1ccc(Cl)cn1 ZINC000239882133 257259796 /nfs/dbraw/zinc/25/97/96/257259796.db2.gz DAMMBFGWLWZLTM-BPLDGKMQSA-N 0 3 309.841 3.036 50 0 DGAAHN C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1cccs1 ZINC000090955317 545833339 /nfs/dbraw/zinc/83/33/39/545833339.db2.gz SFZKGXDZSSASOM-GXTWGEPZSA-N 0 3 304.415 3.162 50 0 DGAAHN CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000584897089 400122945 /nfs/dbraw/zinc/12/29/45/400122945.db2.gz VZQGDKMMOYXKQO-HXUWFJFHSA-N 0 3 320.436 3.468 50 0 DGAAHN CCOC(=O)C1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000023282886 400209149 /nfs/dbraw/zinc/20/91/49/400209149.db2.gz KJIHGQBQPHGVKL-HNNXBMFYSA-N 0 3 319.445 3.291 50 0 DGAAHN CCSc1ccccc1N1CCN(CCCCCCO)CC1 ZINC000096026562 400273985 /nfs/dbraw/zinc/27/39/85/400273985.db2.gz LQVFQKFARCDWKG-UHFFFAOYSA-N 0 3 322.518 3.473 50 0 DGAAHN CNC(=O)Cc1nc(CN[C@H]2CCCC[C@H]2C(C)(C)C)cs1 ZINC000072309158 400381026 /nfs/dbraw/zinc/38/10/26/400381026.db2.gz VWBDLMMUWLIOSM-KGLIPLIRSA-N 0 3 323.506 3.126 50 0 DGAAHN Cc1cnn(CCNCc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000069899932 400348723 /nfs/dbraw/zinc/34/87/23/400348723.db2.gz SGYCQZZUYLGFKD-UHFFFAOYSA-N 0 3 321.384 3.118 50 0 DGAAHN Cc1ccc(Cl)cc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000071846727 400370952 /nfs/dbraw/zinc/37/09/52/400370952.db2.gz DYWJIJYKWGLCBU-UHFFFAOYSA-N 0 3 321.812 3.051 50 0 DGAAHN C[C@H](NC(=O)NC1CCN(C)CC1)c1csc2ccccc21 ZINC000072268198 400375826 /nfs/dbraw/zinc/37/58/26/400375826.db2.gz YUXVSEWNVAUIEZ-LBPRGKRZSA-N 0 3 317.458 3.356 50 0 DGAAHN CC(C)(C)[S@@](=O)CCNCc1ccccc1C(F)(F)F ZINC000072286934 400377891 /nfs/dbraw/zinc/37/78/91/400377891.db2.gz XASFSLMPZSFPHD-HXUWFJFHSA-N 0 3 307.381 3.342 50 0 DGAAHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CC(=O)N1CCCCCC1 ZINC000168220958 400756865 /nfs/dbraw/zinc/75/68/65/400756865.db2.gz ZNIQNNRUJOYQLZ-STQMWFEESA-N 0 3 307.438 3.123 50 0 DGAAHN C[C@H]1CCN(CCSc2nnc(Cc3cccs3)o2)C1 ZINC000079058382 400843271 /nfs/dbraw/zinc/84/32/71/400843271.db2.gz ZQWSWDSGZCUIPY-NSHDSACASA-N 0 3 309.460 3.156 50 0 DGAAHN CC[C@@H](CN[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000195549895 400923950 /nfs/dbraw/zinc/92/39/50/400923950.db2.gz IXVSKCSMQYRPDP-WFASDCNBSA-N 0 3 315.866 3.000 50 0 DGAAHN C[C@@H]1C[C@H](CNC(=O)c2cccc([O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000195556823 400925351 /nfs/dbraw/zinc/92/53/51/400925351.db2.gz ZJRLWPBKBXIZCK-NVXWUHKLSA-N 0 3 324.424 3.033 50 0 DGAAHN C[C@@H]1C[C@H](CNC(=O)c2cccc([O-])c2)C[N@H+]1Cc1ccccc1 ZINC000195556823 400925356 /nfs/dbraw/zinc/92/53/56/400925356.db2.gz ZJRLWPBKBXIZCK-NVXWUHKLSA-N 0 3 324.424 3.033 50 0 DGAAHN Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](C)N)cc2C)c1 ZINC000237403093 400989773 /nfs/dbraw/zinc/98/97/73/400989773.db2.gz GLFOFXKMALJTCZ-HNNXBMFYSA-N 0 3 312.413 3.368 50 0 in-vitro DGAAHN Cc1cc([C@H](C)C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c(C)o1 ZINC000248104850 401065284 /nfs/dbraw/zinc/06/52/84/401065284.db2.gz FRBDTGHNDFXITC-XKQJLSEDSA-N 0 3 304.434 3.085 50 0 DGAAHN CCc1nc2ccccc2c(NC[C@]2(CCO)CCOC2)c1C ZINC000252482139 401094673 /nfs/dbraw/zinc/09/46/73/401094673.db2.gz CZOMKPSIIXBWGB-IBGZPJMESA-N 0 3 314.429 3.307 50 0 DGAAHN Cc1nc(CN(Cc2ccc(F)cc2)[C@H]2CCN(C)C2)oc1C ZINC000089558282 401227231 /nfs/dbraw/zinc/22/72/31/401227231.db2.gz BUALLUHICDEBBN-KRWDZBQOSA-N 0 3 317.408 3.137 50 0 DGAAHN COc1cccc2ccc(CN(C)CC3(CO)CCCC3)nc21 ZINC000215785128 274155172 /nfs/dbraw/zinc/15/51/72/274155172.db2.gz RMDOVGWVFSWBKB-UHFFFAOYSA-N 0 3 314.429 3.228 50 0 DGAAHN CC[C@H](C)c1ccc([C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 ZINC000057315528 287787685 /nfs/dbraw/zinc/78/76/85/287787685.db2.gz YVZLENUKTCTYMI-HEHGZKQESA-N 0 3 319.449 3.070 50 0 DGAAHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000236683206 275530312 /nfs/dbraw/zinc/53/03/12/275530312.db2.gz TYTDCLCEMVMETG-UKRRQHHQSA-N 0 3 306.475 3.001 50 0 DGAAHN CCCCNC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000004016886 276236252 /nfs/dbraw/zinc/23/62/52/276236252.db2.gz VFXQBSPHOLZSOG-WBVHZDCISA-N 0 3 301.434 3.112 50 0 biogenic DGAAHN CN1CCC(N(CCc2ccccc2)Cc2cscn2)CC1 ZINC000072168601 277026905 /nfs/dbraw/zinc/02/69/05/277026905.db2.gz RGEJKTKINCLTCM-UHFFFAOYSA-N 0 3 315.486 3.282 50 0 DGAAHN CC(C)C(=O)N1CC[C@@H](N[C@H]2CC(C)(C)Cc3occc32)C1 ZINC000096479356 277331839 /nfs/dbraw/zinc/33/18/39/277331839.db2.gz XKSOWUJRVZZBFR-HIFRSBDPSA-N 0 3 304.434 3.140 50 0 DGAAHN C[C@@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@@](C)=O ZINC000108372309 278233744 /nfs/dbraw/zinc/23/37/44/278233744.db2.gz RBUMWEATONXZAT-KUUHDYPXSA-N 0 3 307.459 3.180 50 0 DGAAHN CC(C)C12CN3CC(C(C)C)(CN(C1)C31CCCCC1)C2=O ZINC000019323181 278706430 /nfs/dbraw/zinc/70/64/30/278706430.db2.gz JACKOKCYNNWQNU-UHFFFAOYSA-N 0 3 304.478 3.146 50 0 biogenic DGAAHN Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000108111133 431123133 /nfs/dbraw/zinc/12/31/33/431123133.db2.gz SQFQXDXUSPEOHV-IUODEOHRSA-N 0 3 309.841 3.452 50 0 DGAAHN C[C@H](C(=O)N1CCC[C@@H]1c1ccncc1)[C@H](N)c1ccccc1 ZINC000095412760 279195330 /nfs/dbraw/zinc/19/53/30/279195330.db2.gz PBONQIXZHVMNAD-QGTPRVQTSA-N 0 3 309.413 3.081 50 0 DGAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1cccn2ccnc12 ZINC000069437379 431186729 /nfs/dbraw/zinc/18/67/29/431186729.db2.gz ZJFHCJZMXTZFQO-UHFFFAOYSA-N 0 3 320.396 3.182 50 0 DGAAHN CCN(CC)C(=O)[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000000214548 431148479 /nfs/dbraw/zinc/14/84/79/431148479.db2.gz CCQWOIXWKAQARO-RXNMKEHESA-N 0 3 300.446 3.280 50 0 DGAAHN Fc1ccccc1CN1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000069010715 431152862 /nfs/dbraw/zinc/15/28/62/431152862.db2.gz ZXGQYXLTYVVHRH-UHFFFAOYSA-N 0 3 300.381 3.201 50 0 DGAAHN Fc1ccccc1CN1CCC(c2n[nH]c(C3CC3)n2)CC1 ZINC000069010715 431152868 /nfs/dbraw/zinc/15/28/68/431152868.db2.gz ZXGQYXLTYVVHRH-UHFFFAOYSA-N 0 3 300.381 3.201 50 0 DGAAHN Fc1ccccc1CN1CCC(c2nc(C3CC3)n[nH]2)CC1 ZINC000069010715 431152874 /nfs/dbraw/zinc/15/28/74/431152874.db2.gz ZXGQYXLTYVVHRH-UHFFFAOYSA-N 0 3 300.381 3.201 50 0 DGAAHN O[C@@H](CN1CC[C@@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000069621454 431204775 /nfs/dbraw/zinc/20/47/75/431204775.db2.gz UXIAUVBWCVMDTB-PBHICJAKSA-N 0 3 303.352 3.488 50 0 DGAAHN Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)cc2c1 ZINC000069619091 431207172 /nfs/dbraw/zinc/20/71/72/431207172.db2.gz QXGYKCFPGHBXPX-ROUUACIJSA-N 0 3 311.429 3.175 50 0 DGAAHN Cc1c2ccccc2oc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000001053521 431214048 /nfs/dbraw/zinc/21/40/48/431214048.db2.gz ZDNBJOPPYUAJRS-ZDUSSCGKSA-N 0 3 300.402 3.345 50 0 DGAAHN CCN(C(=O)c1ccccn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000069744777 431218329 /nfs/dbraw/zinc/21/83/29/431218329.db2.gz KZBYAZPOTCUKDD-WMZOPIPTSA-N 0 3 323.440 3.379 50 0 DGAAHN N=C1Nc2nc3ccccc3n2[C@H](c2cccc3ccccc32)N1 ZINC000001408234 431226598 /nfs/dbraw/zinc/22/65/98/431226598.db2.gz QSKJRHOGEDXIMR-QGZVFWFLSA-N 0 3 313.364 3.286 50 0 DGAAHN CCCN(C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000001587100 431233653 /nfs/dbraw/zinc/23/36/53/431233653.db2.gz BLPLYMRLMNRFQY-LJQANCHMSA-N 0 3 310.441 3.428 50 0 DGAAHN CN1CCC(Oc2ccc(CNC(=O)c3ccccc3)cc2)CC1 ZINC000071375901 431280804 /nfs/dbraw/zinc/28/08/04/431280804.db2.gz GEGSXDGWRKOETE-UHFFFAOYSA-N 0 3 324.424 3.090 50 0 DGAAHN Cc1cnn(C[C@H]2CCCN2Cc2nc3ccccc3nc2C)c1 ZINC000071878651 431304312 /nfs/dbraw/zinc/30/43/12/431304312.db2.gz HTRHSCZLBWKZRY-MRXNPFEDSA-N 0 3 321.428 3.108 50 0 DGAAHN O=C(NCCc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000002828197 431271800 /nfs/dbraw/zinc/27/18/00/431271800.db2.gz AXIMGHCJEJQQAU-UHFFFAOYSA-N 0 3 322.452 3.258 50 0 DGAAHN CN(C)Cc1ccc(CNC(=O)/C=C/c2ccsc2)cc1 ZINC000008983936 431417130 /nfs/dbraw/zinc/41/71/30/431417130.db2.gz IYCSOJIHVREYPM-BQYQJAHWSA-N 0 3 300.427 3.139 50 0 DGAAHN O=C(Nc1nccs1)c1ccc(CN2CCCCC2)cc1 ZINC000009743990 431444963 /nfs/dbraw/zinc/44/49/63/431444963.db2.gz ZOARDMIJKUSZDF-UHFFFAOYSA-N 0 3 301.415 3.381 50 0 DGAAHN Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1F ZINC000009983567 431450065 /nfs/dbraw/zinc/45/00/65/431450065.db2.gz RJCIWYFXUPSCNA-UHFFFAOYSA-N 0 3 314.404 3.386 50 0 DGAAHN COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000010017881 431452719 /nfs/dbraw/zinc/45/27/19/431452719.db2.gz NNDIDJBGZROFKN-KRWDZBQOSA-N 0 3 312.413 3.036 50 0 DGAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(CC)CC1 ZINC000011953192 431488451 /nfs/dbraw/zinc/48/84/51/431488451.db2.gz JUBKNNVIBXURKT-UHFFFAOYSA-N 0 3 305.418 3.121 50 0 DGAAHN CN(C)Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 ZINC000012995451 431540336 /nfs/dbraw/zinc/54/03/36/431540336.db2.gz GNUBHQBJJWZAGK-UHFFFAOYSA-N 0 3 302.805 3.332 50 0 DGAAHN CN(C)[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000012979883 431541008 /nfs/dbraw/zinc/54/10/08/431541008.db2.gz NJIPPAAMJUIVMO-LJQANCHMSA-N 0 3 321.424 3.130 50 0 DGAAHN CN1CCC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000013775562 431569879 /nfs/dbraw/zinc/56/98/79/431569879.db2.gz GRLRAUYHFRHHLB-UHFFFAOYSA-N 0 3 318.273 3.374 50 0 DGAAHN C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 ZINC000078570618 431682582 /nfs/dbraw/zinc/68/25/82/431682582.db2.gz NIUIYONNBJSBMH-DJIMGWMZSA-N 0 3 306.494 3.439 50 0 DGAAHN CN(C)C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000028317138 431704960 /nfs/dbraw/zinc/70/49/60/431704960.db2.gz FNNWVDKWZQSCOX-HXUWFJFHSA-N 0 3 320.440 3.265 50 0 DGAAHN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1 ZINC000028645396 431708209 /nfs/dbraw/zinc/70/82/09/431708209.db2.gz JUKMAYKVHWKRKY-CHWSQXEVSA-N 0 3 302.201 3.392 50 0 in-vitro DGAAHN CCOCc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1 ZINC000030902755 431747597 /nfs/dbraw/zinc/74/75/97/431747597.db2.gz BPFBBXAWBUSNEE-UHFFFAOYSA-N 0 3 312.413 3.471 50 0 DGAAHN CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032739817 431790794 /nfs/dbraw/zinc/79/07/94/431790794.db2.gz OEXRYSRGLSLSSJ-SFHVURJKSA-N 0 3 321.424 3.400 50 0 DGAAHN Oc1ccc(C2=CCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000032900855 431798010 /nfs/dbraw/zinc/79/80/10/431798010.db2.gz PPSIVNSNXZCCDD-IBGZPJMESA-N 0 3 313.372 3.354 50 0 DGAAHN c1cc(-c2cccc(CNCc3ccc4c(c3)OCO4)c2)n[nH]1 ZINC000032581826 431785099 /nfs/dbraw/zinc/78/50/99/431785099.db2.gz ZXUWIGXIRNMCDD-UHFFFAOYSA-N 0 3 307.353 3.095 50 0 DGAAHN Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)c2ccccc2n1 ZINC000089583164 431871185 /nfs/dbraw/zinc/87/11/85/431871185.db2.gz QPKVIKYGULQWMM-INIZCTEOSA-N 0 3 313.445 3.312 50 0 DGAAHN CCOC(=O)c1c(C)[nH]c(CNCc2ccc(C)cc2)c1C ZINC000034927271 431822036 /nfs/dbraw/zinc/82/20/36/431822036.db2.gz BMZNUYUBIXNEQK-UHFFFAOYSA-N 0 3 300.402 3.406 50 0 DGAAHN CCCN(Cc1ccsc1)C[C@@H](O)COCc1ccco1 ZINC000036099479 431835827 /nfs/dbraw/zinc/83/58/27/431835827.db2.gz JRHPDTIFWBGBIH-OAHLLOKOSA-N 0 3 309.431 3.131 50 0 DGAAHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 ZINC000048287048 431922108 /nfs/dbraw/zinc/92/21/08/431922108.db2.gz SUFHBUXYCQHAMA-ZIFCJYIRSA-N 0 3 314.473 3.198 50 0 DGAAHN C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2CCc2ccccc2)C1 ZINC000048324373 431922767 /nfs/dbraw/zinc/92/27/67/431922767.db2.gz ILZKFQIMEMMVIE-PKOBYXMFSA-N 0 3 314.473 3.342 50 0 DGAAHN c1ccc(CN2CCC[C@H](NCc3cccc4c3OCO4)C2)cc1 ZINC000095350420 431923453 /nfs/dbraw/zinc/92/34/53/431923453.db2.gz BDMMUVNTSIBPSV-SFHVURJKSA-N 0 3 324.424 3.170 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CSC)o1)C2 ZINC000095387940 431924207 /nfs/dbraw/zinc/92/42/07/431924207.db2.gz LPTPXDMLTDEWQB-ZIAGYGMSSA-N 0 3 322.474 3.089 50 0 DGAAHN Cc1ccc(OC[C@@H](C)NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000095409636 431925142 /nfs/dbraw/zinc/92/51/42/431925142.db2.gz MUUWVHMSAOPYSV-QRQCRPRQSA-N 0 3 317.454 3.290 50 0 DGAAHN c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCOC[C@@H]1CCCO1 ZINC000095422497 431925248 /nfs/dbraw/zinc/92/52/48/431925248.db2.gz IPHSGRMOLAFFML-DOTOQJQBSA-N 0 3 317.429 3.218 50 0 DGAAHN Cc1csc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cc(=O)n12 ZINC000045314706 431884104 /nfs/dbraw/zinc/88/41/04/431884104.db2.gz KTDWIPQUQCBFTJ-ZIAGYGMSSA-N 0 3 317.458 3.077 50 0 DGAAHN c1cc([C@H]2CCCCO2)oc1CN1CCC(c2nc[nH]n2)CC1 ZINC000097713700 431974219 /nfs/dbraw/zinc/97/42/19/431974219.db2.gz JJXPHMXUXPBMTG-OAHLLOKOSA-N 0 3 316.405 3.019 50 0 DGAAHN CCCC[C@H](N)C(=O)N(CCSCC)C1CCCCC1 ZINC000055042517 431974840 /nfs/dbraw/zinc/97/48/40/431974840.db2.gz ZLSJDMDUFIIEKG-HNNXBMFYSA-N 0 3 300.512 3.418 50 0 DGAAHN Cc1cc(C)c(CN2CC(N3CCCCC3)C2)c(-n2cccn2)c1 ZINC000097819551 431975449 /nfs/dbraw/zinc/97/54/49/431975449.db2.gz QVELOOOQMBVSHK-UHFFFAOYSA-N 0 3 324.472 3.159 50 0 DGAAHN CC[C@H](CO)N(Cc1ccsc1)Cc1ccc2c(c1)CCO2 ZINC000055099414 431976561 /nfs/dbraw/zinc/97/65/61/431976561.db2.gz RJQZOOYRCKKKLX-QGZVFWFLSA-N 0 3 317.454 3.456 50 0 DGAAHN CCCCN(Cc1sccc1C)C(=O)[C@@H](N)CCSC ZINC000055183277 431977071 /nfs/dbraw/zinc/97/70/71/431977071.db2.gz AJOMSJVQSSZGIW-ZDUSSCGKSA-N 0 3 314.520 3.266 50 0 DGAAHN CCOC(=O)C1CCN(CCCc2ccc(CC)cc2)CC1 ZINC000095940905 431927606 /nfs/dbraw/zinc/92/76/06/431927606.db2.gz RTDAVVBPSGMRFJ-UHFFFAOYSA-N 0 3 303.446 3.457 50 0 DGAAHN O=C1CC[C@@H](N[C@@H]2CCCSc3ccc(Cl)cc32)CN1 ZINC000095968067 431928912 /nfs/dbraw/zinc/92/89/12/431928912.db2.gz IIFKTVBSKKYWEM-DGCLKSJQSA-N 0 3 310.850 3.135 50 0 DGAAHN COC(=O)[C@H](C)CN(Cc1ccc(OC(C)C)cc1)C1CC1 ZINC000095963734 431929287 /nfs/dbraw/zinc/92/92/87/431929287.db2.gz MFBREHNJOAWSFQ-CQSZACIVSA-N 0 3 305.418 3.247 50 0 DGAAHN CCc1ccc([C@H](C)NCCc2ccc(S(C)(=O)=O)cc2)o1 ZINC000095968554 431929741 /nfs/dbraw/zinc/92/97/41/431929741.db2.gz PSHKQVVORFPVSS-ZDUSSCGKSA-N 0 3 321.442 3.139 50 0 DGAAHN C[C@H](CC(=O)N(C)C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000095968812 431930100 /nfs/dbraw/zinc/93/01/00/431930100.db2.gz WXRKGLUVLDENIU-HUUCEWRRSA-N 0 3 311.429 3.266 50 0 DGAAHN CC(C)c1nn(C)cc1CNCCc1cnn(-c2ccccc2)c1 ZINC000048710903 431931766 /nfs/dbraw/zinc/93/17/66/431931766.db2.gz BMVVPGTZRGJPSD-UHFFFAOYSA-N 0 3 323.444 3.062 50 0 DGAAHN Cc1nn(C)c(C)c1CN[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000095990137 431932691 /nfs/dbraw/zinc/93/26/91/431932691.db2.gz UOVXMLIUFUHOAB-OAHLLOKOSA-N 0 3 318.852 3.059 50 0 DGAAHN CCNC(=O)C(C)(C)CN[C@H](C)c1cnc2ccsc2c1 ZINC000095991713 431932943 /nfs/dbraw/zinc/93/29/43/431932943.db2.gz KRZWADNRVCSOJO-LLVKDONJSA-N 0 3 305.447 3.109 50 0 DGAAHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C(N)=O)cc1 ZINC000096456814 431951420 /nfs/dbraw/zinc/95/14/20/431951420.db2.gz MTAGOELAQZZPDT-KPZWWZAWSA-N 0 3 312.388 3.338 50 0 DGAAHN Cc1nc(C)c(CN[C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000096462950 431952457 /nfs/dbraw/zinc/95/24/57/431952457.db2.gz RJGAYHPWFYSODM-GFCCVEGCSA-N 0 3 322.865 3.177 50 0 DGAAHN CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000096493647 431953650 /nfs/dbraw/zinc/95/36/50/431953650.db2.gz UQZLXAKPYGMEAC-CABCVRRESA-N 0 3 305.422 3.132 50 0 DGAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCSC1 ZINC000096499648 431954453 /nfs/dbraw/zinc/95/44/53/431954453.db2.gz OVWNRSAXHPOXHO-KCJUWKMLSA-N 0 3 307.385 3.218 50 0 DGAAHN O=S1(=O)CCC[C@@H]1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000097034751 431956963 /nfs/dbraw/zinc/95/69/63/431956963.db2.gz NRIZTVJGMVHWKG-SJORKVTESA-N 0 3 307.459 3.085 50 0 DGAAHN C[C@@H](CSC(C)(C)C)NCc1ccc(S(C)(=O)=O)cc1 ZINC000097228289 431965204 /nfs/dbraw/zinc/96/52/04/431965204.db2.gz HRMDBJLUGLEKPA-LBPRGKRZSA-N 0 3 315.504 3.100 50 0 DGAAHN CN(C)[C@H](CNC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000058845034 431998383 /nfs/dbraw/zinc/99/83/83/431998383.db2.gz RUAWOUYTQHETBT-GOSISDBHSA-N 0 3 309.413 3.062 50 0 DGAAHN COC[C@H](Cc1ccccc1)N(C)Cc1cnc2ccccn12 ZINC000191487935 432268518 /nfs/dbraw/zinc/26/85/18/432268518.db2.gz YZKMUJLZYAKIEQ-KRWDZBQOSA-N 0 3 309.413 3.024 50 0 DGAAHN C[C@H](NC[C@H]1CCC[C@H]1O)c1nc2cc(Cl)ccc2n1C ZINC000253369566 432390958 /nfs/dbraw/zinc/39/09/58/432390958.db2.gz FBGVKAKTBFMQSU-FIXISWKDSA-N 0 3 307.825 3.038 50 0 DGAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cccc3c2OCCCO3)c1 ZINC000069491640 281695654 /nfs/dbraw/zinc/69/56/54/281695654.db2.gz RXEKBOQGXVCYPN-CABCVRRESA-N 0 3 315.417 3.092 50 0 DGAAHN C[C@H](CNCc1nnc2ccccn21)c1cccc(Cl)c1 ZINC000195573449 432628447 /nfs/dbraw/zinc/62/84/47/432628447.db2.gz VMRCFWIDIJVPBD-GFCCVEGCSA-N 0 3 300.793 3.276 50 0 DGAAHN CN(Cc1ccc(Cl)o1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000215748695 432644263 /nfs/dbraw/zinc/64/42/63/432644263.db2.gz ZGBWVSHGVMVNPS-GFCCVEGCSA-N 0 3 310.825 3.156 50 0 DGAAHN CN(CCCCN1CCOCC1)Cc1cc(F)cc(Cl)c1 ZINC000215858423 432644919 /nfs/dbraw/zinc/64/49/19/432644919.db2.gz DHXASKYOKKQVBR-UHFFFAOYSA-N 0 3 314.832 3.023 50 0 DGAAHN CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COCc1ccco1 ZINC000229487906 432721403 /nfs/dbraw/zinc/72/14/03/432721403.db2.gz LEUHXAYTWNNPRS-CZUORRHYSA-N 0 3 321.442 3.228 50 0 DGAAHN COc1ccc([C@H](O)CN2CC[C@@H](c3ccccc3)C2)cc1F ZINC000229719827 432721876 /nfs/dbraw/zinc/72/18/76/432721876.db2.gz IJEUTHAGWVIKGR-SJLPKXTDSA-N 0 3 315.388 3.357 50 0 DGAAHN C[C@@H]1CN(C2CCN(C/C=C\c3ccc(F)cc3)CC2)CCO1 ZINC000222072668 432670293 /nfs/dbraw/zinc/67/02/93/432670293.db2.gz LEDUHAHJXJZCRB-RXYHWBRQSA-N 0 3 318.436 3.024 50 0 DGAAHN COc1ccc([C@H](C)[C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000221890583 432670437 /nfs/dbraw/zinc/67/04/37/432670437.db2.gz COLKJQJEDXWCCX-QWQRMKEZSA-N 0 3 312.413 3.003 50 0 DGAAHN CC(C)c1nccc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000223681027 432678194 /nfs/dbraw/zinc/67/81/94/432678194.db2.gz CFNVDCOQYOPRIN-LJQANCHMSA-N 0 3 324.472 3.306 50 0 DGAAHN OC1(CNCc2ccc(-c3ccccc3Cl)o2)CCOCC1 ZINC000238144641 432813328 /nfs/dbraw/zinc/81/33/28/432813328.db2.gz JWNHIUPZQIITNN-UHFFFAOYSA-N 0 3 321.804 3.231 50 0 DGAAHN COC[C@H]1CCCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245593277 432847966 /nfs/dbraw/zinc/84/79/66/432847966.db2.gz GVYYTXWDAVHTAW-PKOBYXMFSA-N 0 3 319.445 3.103 50 0 DGAAHN COc1ccc(C(=O)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000296788099 432926790 /nfs/dbraw/zinc/92/67/90/432926790.db2.gz PZBQMUNPQXJDGT-UHFFFAOYSA-N 0 3 324.424 3.228 50 0 DGAAHN c1csc(N2CCCN(Cc3cccc4cccnc43)CC2)n1 ZINC000299233901 433353415 /nfs/dbraw/zinc/35/34/15/433353415.db2.gz IIRHXCDXFDBCJF-UHFFFAOYSA-N 0 3 324.453 3.404 50 0 DGAAHN Cc1cccc(CN2C(=O)CC[C@@H]2CCNCc2ccccn2)c1 ZINC000299783642 433381162 /nfs/dbraw/zinc/38/11/62/433381162.db2.gz XGMRUFFAAZPILW-LJQANCHMSA-N 0 3 323.440 3.061 50 0 DGAAHN CCSCCC(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000299783700 433381642 /nfs/dbraw/zinc/38/16/42/433381642.db2.gz XESNYPIEYXJBHX-KRWDZBQOSA-N 0 3 320.502 3.473 50 0 DGAAHN CN(C)CCN(C)C(=O)c1ccc(-c2ccc(Cl)cn2)cc1 ZINC000426662346 433554818 /nfs/dbraw/zinc/55/48/18/433554818.db2.gz UJTKZMABJFRNBF-UHFFFAOYSA-N 0 3 317.820 3.036 50 0 DGAAHN COc1cccc(N2CCC(NCc3nc(C)cs3)CC2)c1 ZINC000371738826 434744563 /nfs/dbraw/zinc/74/45/63/434744563.db2.gz HFJDGCLBTBNAPK-UHFFFAOYSA-N 0 3 317.458 3.219 50 0 DGAAHN O=C(N1CC[C@@H]1c1cccs1)C1(N2CCCC2)CCCC1 ZINC000065502276 303691890 /nfs/dbraw/zinc/69/18/90/303691890.db2.gz XMKHSBLKKVAZTF-CQSZACIVSA-N 0 3 304.459 3.430 50 0 DGAAHN CCOc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000034917 545643047 /nfs/dbraw/zinc/64/30/47/545643047.db2.gz QWYUPEMJGJVOFD-LJQANCHMSA-N 0 3 313.397 3.338 50 0 biogenic DGAAHN O=C(NC1CCCCCC1)C1CCN(c2ccncc2)CC1 ZINC000033128918 545669595 /nfs/dbraw/zinc/66/95/95/545669595.db2.gz RSOYGNVINJBBDS-UHFFFAOYSA-N 0 3 301.434 3.137 50 0 DGAAHN OCc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000240534490 546294622 /nfs/dbraw/zinc/29/46/22/546294622.db2.gz GOBFWTXXEZACRE-SJORKVTESA-N 0 3 317.454 3.329 50 0 DGAAHN c1cc2c(s1)C1(CCN(C[C@@H]3CCCCO3)CC1)OCC2 ZINC000352794524 546655642 /nfs/dbraw/zinc/65/56/42/546655642.db2.gz MODKLODJQICULS-HNNXBMFYSA-N 0 3 307.459 3.181 50 0 DGAAHN c1cc2c(s1)C1(CCN(Cc3ccncc3)CC1)OCC2 ZINC000352784037 546656143 /nfs/dbraw/zinc/65/61/43/546656143.db2.gz LYRPMGBFYRYUET-UHFFFAOYSA-N 0 3 300.427 3.207 50 0 DGAAHN CCn1cc(CN2CCC3(CC2)OCCc2ccsc23)cn1 ZINC000353152409 546658856 /nfs/dbraw/zinc/65/88/56/546658856.db2.gz NPVSPHUEETXTCD-UHFFFAOYSA-N 0 3 317.458 3.029 50 0 DGAAHN Cc1ccc(C)c(-c2n[nH]cc2CN(C)CC(C)(C)CO)c1 ZINC000670435489 547753961 /nfs/dbraw/zinc/75/39/61/547753961.db2.gz CKIYVMMDPSXVNY-UHFFFAOYSA-N 0 3 301.434 3.144 50 0 DGAAHN CNC(=O)C[C@@H]1CCN(Cc2ccc(C3CCCC3)s2)C1 ZINC000670440543 547754530 /nfs/dbraw/zinc/75/45/30/547754530.db2.gz CVSZMZHVSOXCRC-ZDUSSCGKSA-N 0 3 306.475 3.364 50 0 DGAAHN Nc1ncc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000670450089 547755808 /nfs/dbraw/zinc/75/58/08/547755808.db2.gz CTXXNCOOUAPANT-LLVKDONJSA-N 0 3 314.414 3.246 50 0 DGAAHN Cn1ccnc1CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000670452328 547756065 /nfs/dbraw/zinc/75/60/65/547756065.db2.gz AKDJPZUIUXMPGD-UHFFFAOYSA-N 0 3 319.836 3.159 50 0 DGAAHN CC(C)(O)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000670461043 547758224 /nfs/dbraw/zinc/75/82/24/547758224.db2.gz VTTBBDYQURQSQV-GFCCVEGCSA-N 0 3 305.315 3.437 50 0 DGAAHN c1cc(-c2ncnn2CCc2ccccc2)oc1CN1CCCC1 ZINC000670471858 547759498 /nfs/dbraw/zinc/75/94/98/547759498.db2.gz BBQPXYOSZNYEGO-UHFFFAOYSA-N 0 3 322.412 3.377 50 0 DGAAHN CC1(C)C[C@H](NCc2cccc(OCc3ccccn3)c2)CO1 ZINC000585087345 574817741 /nfs/dbraw/zinc/81/77/41/574817741.db2.gz FJDARJQPMKEOPC-KRWDZBQOSA-N 0 3 312.413 3.318 50 0 DGAAHN CCCOc1c(CN(C)C[C@H](O)C2CC2)cccc1OCC ZINC000809751738 626946753 /nfs/dbraw/zinc/94/67/53/626946753.db2.gz JOCKLKUZBJTRAB-INIZCTEOSA-N 0 3 307.434 3.077 50 0 DGAAHN CCN(CC)CC(=O)N[C@@]1(C)CCCC[C@H]1c1ccc(O)cc1 ZINC000004829032 656386764 /nfs/dbraw/zinc/38/67/64/656386764.db2.gz UQINWEHNZRTUQN-HKUYNNGSSA-N 0 3 318.461 3.267 50 0 DGAAHN Clc1cccc(OC2CCN(CCn3cccn3)CC2)c1 ZINC000020860984 658723395 /nfs/dbraw/zinc/72/33/95/658723395.db2.gz HWZXWCMTTLMBPI-UHFFFAOYSA-N 0 3 305.809 3.080 50 0 DGAAHN CSCC[C@H](N)C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000156605079 658928108 /nfs/dbraw/zinc/92/81/08/658928108.db2.gz PEHZIQUFTHVCLI-NSHDSACASA-N 0 3 312.866 3.045 50 0 DGAAHN COc1ccc2oc([C@@H](C)NCCN3CCCC3=O)c(C)c2c1 ZINC000184340961 660163893 /nfs/dbraw/zinc/16/38/93/660163893.db2.gz XDEABMGHYZEFFN-CYBMUJFWSA-N 0 3 316.401 3.023 50 0 DGAAHN CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](N)C1CCCCC1 ZINC000952965042 662209056 /nfs/dbraw/zinc/20/90/56/662209056.db2.gz PTWLUDCUXSQUBQ-HNNXBMFYSA-N 0 3 309.841 3.252 50 0 DGAAHN CNCC(=O)Nc1ccccc1SCc1cccc(C)c1 ZINC000952983742 662210100 /nfs/dbraw/zinc/21/01/00/662210100.db2.gz XGGHTKUXXOLZSB-UHFFFAOYSA-N 0 3 300.427 3.445 50 0 DGAAHN COc1ncc(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000952982355 662210248 /nfs/dbraw/zinc/21/02/48/662210248.db2.gz WLJMCXWXGHIZAL-LJQANCHMSA-N 0 3 311.429 3.285 50 0 DGAAHN COc1ccc([C@@H](C)NCCc2nc(C(C)C)no2)c(F)c1 ZINC000089578771 662245335 /nfs/dbraw/zinc/24/53/35/662245335.db2.gz LMELXKGZVUNVKL-LLVKDONJSA-N 0 3 307.369 3.234 50 0 DGAAHN Cc1ccccc1[C@]1(O)CCN(Cc2ccnc(C(C)C)n2)C1 ZINC000071752865 685058818 /nfs/dbraw/zinc/05/88/18/685058818.db2.gz AUCXTWOMBPQUBY-IBGZPJMESA-N 0 3 311.429 3.002 50 0 DGAAHN COc1ccc2c(c1)CCOC21CCN(Cc2cccnc2)CC1 ZINC001704298207 1202519488 /nfs/dbraw/zinc/51/94/88/1202519488.db2.gz HDZLGYMFGXTXSV-UHFFFAOYSA-N 0 3 324.424 3.154 50 0 DGAAHN COc1ccc2c(c1)CCOC21CCN(Cc2ccncc2)CC1 ZINC001704343813 1202521687 /nfs/dbraw/zinc/52/16/87/1202521687.db2.gz ZIZDNLLQMIRLCH-UHFFFAOYSA-N 0 3 324.424 3.154 50 0 DGAAHN Cc1csc(CNC2CCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000825258220 1091736159 /nfs/dbraw/zinc/73/61/59/1091736159.db2.gz DIMMQCDHGPARAC-UHFFFAOYSA-N 0 3 323.412 3.488 50 0 DGAAHN O=C(CCc1ccncc1)Nc1ccccc1CN1CCCC1 ZINC000828075213 1091803964 /nfs/dbraw/zinc/80/39/64/1091803964.db2.gz XOELKWQWHRXIDO-UHFFFAOYSA-N 0 3 309.413 3.249 50 0 DGAAHN CCn1cc(CN2CCC[C@@H](n3c(C)cnc3C3CC3)C2)cn1 ZINC000581806059 1092280306 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ZINC000156645747 197130299 /nfs/dbraw/zinc/13/02/99/197130299.db2.gz CHEBQBGUCUUXJQ-KRWDZBQOSA-N 0 3 300.402 3.226 50 0 DGAAHN OC1(c2ccccc2)CCC(NCc2cn3ccccc3n2)CC1 ZINC000368862925 257236137 /nfs/dbraw/zinc/23/61/37/257236137.db2.gz MIVZRCUAAHZSGY-UHFFFAOYSA-N 0 3 321.424 3.254 50 0 DGAAHN Cc1[nH]ccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000075105096 257271222 /nfs/dbraw/zinc/27/12/22/257271222.db2.gz QGJNVDQHOKYHSW-CQSZACIVSA-N 0 3 317.458 3.027 50 0 DGAAHN Cc1cc2c(cc1C)[C@H](NCC[C@H](C)[S@](C)=O)CCCO2 ZINC000090514953 292010071 /nfs/dbraw/zinc/01/00/71/292010071.db2.gz TUEHNUMTURZHKW-CMPZQBNXSA-N 0 3 309.475 3.264 50 0 DGAAHN CCc1ccc(CNC(=O)C2CCN(c3ccncc3)CC2)cc1 ZINC000033129045 134685852 /nfs/dbraw/zinc/68/58/52/134685852.db2.gz APNRYPZGUDTBJP-UHFFFAOYSA-N 0 3 323.440 3.177 50 0 DGAAHN CC(C)[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000091280640 400110679 /nfs/dbraw/zinc/11/06/79/400110679.db2.gz UDWBKVRRRCNTON-DOMZBBRYSA-N 0 3 315.866 3.061 50 0 DGAAHN 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431317862 /nfs/dbraw/zinc/31/78/62/431317862.db2.gz KEKTUWUHTFKGSB-TXEJJXNPSA-N 0 3 301.386 3.285 50 0 DGAAHN Cc1c([O-])ccc2c(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)oc12 ZINC000006510872 431317870 /nfs/dbraw/zinc/31/78/70/431317870.db2.gz KEKTUWUHTFKGSB-TXEJJXNPSA-N 0 3 301.386 3.285 50 0 DGAAHN Cc1[nH]c2ccc(C(=O)NCCN3CCCCCC3)cc2c1C ZINC000007007394 431330819 /nfs/dbraw/zinc/33/08/19/431330819.db2.gz AAQUJGLLJFMZSI-UHFFFAOYSA-N 0 3 313.445 3.391 50 0 DGAAHN O=C(Nc1cccnc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063579 431419752 /nfs/dbraw/zinc/41/97/52/431419752.db2.gz AHBHASVWWQQSFH-UHFFFAOYSA-N 0 3 313.376 3.071 50 0 DGAAHN CC(C)(C)NCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000009157787 431424564 /nfs/dbraw/zinc/42/45/64/431424564.db2.gz VOCSHBPGVIJQOX-UHFFFAOYSA-N 0 3 303.450 3.394 50 0 DGAAHN CC[C@H](CO)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000008337111 431394737 /nfs/dbraw/zinc/39/47/37/431394737.db2.gz XGUGQCHUSYHETB-QGZVFWFLSA-N 0 3 303.377 3.265 50 0 DGAAHN C[C@H](O)CNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000008498020 431398459 /nfs/dbraw/zinc/39/84/59/431398459.db2.gz BSUNKQKPOXWKQA-ZDUSSCGKSA-N 0 3 305.805 3.389 50 0 DGAAHN Cc1sc2ncnc(N(C)[C@@H]3CCN(C)C[C@@H]3C)c2c1C ZINC000075105836 431453925 /nfs/dbraw/zinc/45/39/25/431453925.db2.gz SMXHBZICMASRAO-GXFFZTMASA-N 0 3 304.463 3.085 50 0 DGAAHN CN1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000011662369 431478199 /nfs/dbraw/zinc/47/81/99/431478199.db2.gz NPRVKLOZZPJTJG-UHFFFAOYSA-N 0 3 324.852 3.341 50 0 DGAAHN COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)c1ccco1 ZINC000012796200 431529301 /nfs/dbraw/zinc/52/93/01/431529301.db2.gz GCXFEDYWJNMCGX-OLZOCXBDSA-N 0 3 302.374 3.356 50 0 DGAAHN CCc1ccc(CN2CC[C@]3(C2)CCCN(CC2CC2)C3=O)o1 ZINC000011878908 431485817 /nfs/dbraw/zinc/48/58/17/431485817.db2.gz XWKNPCXYBRUSHQ-IBGZPJMESA-N 0 3 316.445 3.067 50 0 DGAAHN Cc1c([C@H](C)NCC(C)(C)CO)cnn1-c1ccc(F)cc1F ZINC000012072832 431490634 /nfs/dbraw/zinc/49/06/34/431490634.db2.gz ZFXWHLFDPPFYQU-NSHDSACASA-N 0 3 323.387 3.128 50 0 DGAAHN CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000012979881 431541889 /nfs/dbraw/zinc/54/18/89/431541889.db2.gz NJIPPAAMJUIVMO-IBGZPJMESA-N 0 3 321.424 3.130 50 0 DGAAHN O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1c(F)cccc1Cl ZINC000040286032 280305260 /nfs/dbraw/zinc/30/52/60/280305260.db2.gz POYCKBAKVBLREV-WBVHZDCISA-N 0 3 316.763 3.404 50 0 DGAAHN CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000117664798 431574729 /nfs/dbraw/zinc/57/47/29/431574729.db2.gz ARALPKQLLZCBRX-GOSISDBHSA-N 0 3 323.440 3.347 50 0 DGAAHN Cc1oc(C)c(C(=O)NCc2ccccc2CN(C)C)c1C ZINC000025395428 431653339 /nfs/dbraw/zinc/65/33/39/431653339.db2.gz WGFFTBGGFMFIAJ-UHFFFAOYSA-N 0 3 300.402 3.196 50 0 DGAAHN c1[nH]c(-c2ccccc2)nc1CN1CCN(CC2CCCC2)CC1 ZINC000020167545 431622897 /nfs/dbraw/zinc/62/28/97/431622897.db2.gz JMBPERDXNLVHTF-UHFFFAOYSA-N 0 3 324.472 3.385 50 0 DGAAHN c1cc(-c2cccc(-c3cccc(N4CCNCC4)c3)c2)n[nH]1 ZINC000023398672 431635333 /nfs/dbraw/zinc/63/53/33/431635333.db2.gz DALVLUCFELTWRM-UHFFFAOYSA-N 0 3 304.397 3.153 50 0 DGAAHN O=C(c1ccccc1)N1CCC[C@@H](NCc2ccsc2)C1 ZINC000078553586 431683631 /nfs/dbraw/zinc/68/36/31/431683631.db2.gz UQYJMTHRJCCCHW-MRXNPFEDSA-N 0 3 300.427 3.143 50 0 DGAAHN CCN(CC)[C@H](CNC(=O)c1cccc(C)n1)c1ccccc1 ZINC000027088066 431684169 /nfs/dbraw/zinc/68/41/69/431684169.db2.gz RWCCCULBVYQCCD-GOSISDBHSA-N 0 3 311.429 3.203 50 0 DGAAHN CCC(CC)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000027747126 431695368 /nfs/dbraw/zinc/69/53/68/431695368.db2.gz CJNQDUUKUXFEEZ-GOSISDBHSA-N 0 3 318.461 3.385 50 0 DGAAHN Cc1c(C)n(C[C@H](O)CNCc2ccco2)c2ccc(C)cc12 ZINC000028297071 431704209 /nfs/dbraw/zinc/70/42/09/431704209.db2.gz IVBSGDHIIAXBHH-MRXNPFEDSA-N 0 3 312.413 3.310 50 0 DGAAHN Cc1ccc(CC(=O)NCCCN(C)Cc2ccccc2)cc1C ZINC000032845467 431795122 /nfs/dbraw/zinc/79/51/22/431795122.db2.gz MRLTVKCPIHWENU-UHFFFAOYSA-N 0 3 324.468 3.484 50 0 DGAAHN Cc1ccccc1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000032912076 431799612 /nfs/dbraw/zinc/79/96/12/431799612.db2.gz LJFFNYFYZPQURZ-FQEVSTJZSA-N 0 3 322.452 3.318 50 0 DGAAHN Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCN(C)C ZINC000031867895 431768413 /nfs/dbraw/zinc/76/84/13/431768413.db2.gz LSKQONPEIDWOAR-UHFFFAOYSA-N 0 3 323.849 3.063 50 0 DGAAHN N[C@@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 ZINC000037806386 431850554 /nfs/dbraw/zinc/85/05/54/431850554.db2.gz QMBSFYFUSGCJQA-INIZCTEOSA-N 0 3 300.427 3.329 50 0 DGAAHN Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)s1 ZINC000089582350 431870184 /nfs/dbraw/zinc/87/01/84/431870184.db2.gz NXLSNWPXICPBOX-UKRRQHHQSA-N 0 3 321.490 3.306 50 0 DGAAHN COc1ccccc1CN(C[C@H](O)COC(C)(C)C)C(C)C ZINC000036102856 431834982 /nfs/dbraw/zinc/83/49/82/431834982.db2.gz ZCXBNTQXYZXMCC-INIZCTEOSA-N 0 3 309.450 3.082 50 0 DGAAHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000095349196 431921824 /nfs/dbraw/zinc/92/18/24/431921824.db2.gz GCMFNTCLLHNYMD-SNVBAGLBSA-N 0 3 302.205 3.161 50 0 DGAAHN Fc1cccc(COc2ccccc2-c2nc3c([nH]2)CNCC3)c1 ZINC000095361918 431923066 /nfs/dbraw/zinc/92/30/66/431923066.db2.gz MUNFZQJUEGMVIG-UHFFFAOYSA-N 0 3 323.371 3.441 50 0 DGAAHN Clc1ccc2cccnc2c1CN1CCC2(CC1)OCCO2 ZINC000048367238 431924805 /nfs/dbraw/zinc/92/48/05/431924805.db2.gz ASKHUDDWTRLGHF-UHFFFAOYSA-N 0 3 318.804 3.227 50 0 DGAAHN COCCOc1ccc(CN[C@H]2CCCc3sccc32)cn1 ZINC000095420415 431924866 /nfs/dbraw/zinc/92/48/66/431924866.db2.gz AQYOWQSDXNGWSZ-HNNXBMFYSA-N 0 3 318.442 3.336 50 0 DGAAHN COc1ccccc1[C@@H](CNc1nc2ccccc2n1C)N(C)C ZINC000089749743 431877151 /nfs/dbraw/zinc/87/71/51/431877151.db2.gz KMBUKEFIUOSCCZ-QGZVFWFLSA-N 0 3 324.428 3.297 50 0 DGAAHN Cc1n[nH]c(CN(C)Cc2ccc(CN(C)C)cc2)c1Cl ZINC000097681770 431972992 /nfs/dbraw/zinc/97/29/92/431972992.db2.gz AMLCGODLJKRDSG-UHFFFAOYSA-N 0 3 306.841 3.065 50 0 DGAAHN Cc1ccsc1CN(Cc1ccccn1)C[C@@H]1CCOC1 ZINC000055119274 431977334 /nfs/dbraw/zinc/97/73/34/431977334.db2.gz FTGOMFJKPWPBNJ-HNNXBMFYSA-N 0 3 302.443 3.490 50 0 DGAAHN CC[C@H](C)N(Cc1ccc(-n2cncn2)cc1)Cc1cccnc1 ZINC000055307878 431979460 /nfs/dbraw/zinc/97/94/60/431979460.db2.gz UFKOHLCHJBKDCP-INIZCTEOSA-N 0 3 321.428 3.463 50 0 DGAAHN CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000095965552 431928875 /nfs/dbraw/zinc/92/88/75/431928875.db2.gz UMTRBIKZTWMGPA-CJNGLKHVSA-N 0 3 302.443 3.433 50 0 DGAAHN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000095967511 431929144 /nfs/dbraw/zinc/92/91/44/431929144.db2.gz IXFBHKAVRNKNLE-WDEREUQCSA-N 0 3 307.467 3.080 50 0 DGAAHN COc1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1F ZINC000095968112 431929807 /nfs/dbraw/zinc/92/98/07/431929807.db2.gz PMYRZIPWMLDMFS-GIPWTMENSA-N 0 3 301.427 3.032 50 0 DGAAHN CCOc1cccc(CN[C@@H]2CCSC2)c1OC(F)F ZINC000095969250 431929877 /nfs/dbraw/zinc/92/98/77/431929877.db2.gz NXNCTSQRYMSQCV-LLVKDONJSA-N 0 3 303.374 3.282 50 0 DGAAHN C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000095968809 431930134 /nfs/dbraw/zinc/93/01/34/431930134.db2.gz WXRKGLUVLDENIU-GJZGRUSLSA-N 0 3 311.429 3.266 50 0 DGAAHN C[C@@H](C[C@H](O)c1ccccc1)NCc1nc2ccccc2n1C ZINC000095978164 431930695 /nfs/dbraw/zinc/93/06/95/431930695.db2.gz MMTMZEVHAJUWKP-KSSFIOAISA-N 0 3 309.413 3.175 50 0 DGAAHN Cc1ncccc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000095988578 431932451 /nfs/dbraw/zinc/93/24/51/431932451.db2.gz SDARCUPRKCHXFG-SJORKVTESA-N 0 3 304.340 3.288 50 0 DGAAHN CN(Cc1cccnc1)[C@@H]1CCCC[C@@H]1N(C)Cc1cccnc1 ZINC000095995924 431933551 /nfs/dbraw/zinc/93/35/51/431933551.db2.gz ZFAOMZBZBKFGOQ-BGYRXZFFSA-N 0 3 324.472 3.352 50 0 DGAAHN CC[C@@H]1CN(c2nc3ccccc3cc2CO)CCN1C(C)C ZINC000096132769 431939676 /nfs/dbraw/zinc/93/96/76/431939676.db2.gz XPPLWICUBLXTLY-QGZVFWFLSA-N 0 3 313.445 3.036 50 0 DGAAHN C[C@@H]1CCCCN1C1CN(C(=O)Nc2cccc3cnccc32)C1 ZINC000096135660 431940072 /nfs/dbraw/zinc/94/00/72/431940072.db2.gz DFZJMIHICJWSKC-CQSZACIVSA-N 0 3 324.428 3.325 50 0 DGAAHN Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@@]1(O)CCSC1 ZINC000096479018 431953090 /nfs/dbraw/zinc/95/30/90/431953090.db2.gz LEMPSHJCHZIEQG-BONVTDFDSA-N 0 3 314.520 3.268 50 0 DGAAHN Cc1nccn1-c1ccc([C@H](C)NC[C@@H](O)c2ccco2)cc1 ZINC000096476537 431953322 /nfs/dbraw/zinc/95/33/22/431953322.db2.gz NXUZUQOZHLISES-SUMWQHHRSA-N 0 3 311.385 3.158 50 0 DGAAHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c(C)s1 ZINC000052556361 431956330 /nfs/dbraw/zinc/95/63/30/431956330.db2.gz HSPYBSBIOQXGMA-INIZCTEOSA-N 0 3 302.443 3.398 50 0 DGAAHN CC(C)N(C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000052875873 431958779 /nfs/dbraw/zinc/95/87/79/431958779.db2.gz KHWACLUPQZSBOA-QGZVFWFLSA-N 0 3 320.433 3.433 50 0 DGAAHN COCCOC[C@H]1CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000097085973 431960032 /nfs/dbraw/zinc/96/00/32/431960032.db2.gz POQYNAHPHGLEEG-INIZCTEOSA-N 0 3 314.429 3.341 50 0 DGAAHN C[C@H](CN1CCC(C(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103869 431960921 /nfs/dbraw/zinc/96/09/21/431960921.db2.gz XLOAUFWTEJAVBU-CYBMUJFWSA-N 0 3 308.853 3.244 50 0 DGAAHN C[C@@H](N[C@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 ZINC000097234808 431966359 /nfs/dbraw/zinc/96/63/59/431966359.db2.gz KERVYLVYOCMPNI-BDAKNGLRSA-N 0 3 314.501 3.339 50 0 DGAAHN Oc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12 ZINC000054104449 431967413 /nfs/dbraw/zinc/96/74/13/431967413.db2.gz JGIYPOIEJZBYNH-UHFFFAOYSA-N 0 3 319.408 3.263 50 0 DGAAHN CN(C)[C@H](CNC(=O)NCCC1CCCC1)c1ccccc1 ZINC000097337208 431968096 /nfs/dbraw/zinc/96/80/96/431968096.db2.gz JLQAYIKDZJDZIO-QGZVFWFLSA-N 0 3 303.450 3.169 50 0 DGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1 ZINC000005525342 281128070 /nfs/dbraw/zinc/12/80/70/281128070.db2.gz OVDAQVIEYIDYQE-MJGOQNOKSA-N 0 3 306.409 3.443 50 0 DGAAHN CCc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1F ZINC000102317084 431993122 /nfs/dbraw/zinc/99/31/22/431993122.db2.gz GSGCIFOTMVGGPJ-UHFFFAOYSA-N 0 3 317.408 3.256 50 0 DGAAHN CCC[C@@H]1CCCN(Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000057909412 431994633 /nfs/dbraw/zinc/99/46/33/431994633.db2.gz VPBRHUYYQNRLHC-CQSZACIVSA-N 0 3 319.474 3.467 50 0 DGAAHN Cc1cc(C)c([C@H](C)N2CCN(c3ncccn3)CC2)c(C)c1 ZINC000057984988 431995000 /nfs/dbraw/zinc/99/50/00/431995000.db2.gz AMCXOGHJPLBHMS-KRWDZBQOSA-N 0 3 310.445 3.285 50 0 DGAAHN Cc1csc(-c2c(O)cn(-c3ccc(N(C)C)cc3)c2N)n1 ZINC000102743753 431998161 /nfs/dbraw/zinc/99/81/61/431998161.db2.gz PTTJSVVYMONZIF-UHFFFAOYSA-N 0 3 314.414 3.284 50 0 DGAAHN CCc1noc(CC)c1CN[C@H]1CCc2c(cccc2OC)C1 ZINC000192444495 432375183 /nfs/dbraw/zinc/37/51/83/432375183.db2.gz LQDFKLFHXXLOJB-AWEZNQCLSA-N 0 3 314.429 3.455 50 0 DGAAHN Cc1cnccc1CN1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000252489981 432380081 /nfs/dbraw/zinc/38/00/81/432380081.db2.gz KGSCSUYKZACFOA-UHFFFAOYSA-N 0 3 312.417 3.105 50 0 DGAAHN Cc1noc([C@@H]2CCCN(CCO[C@H]3CCCC[C@H]3C)C2)n1 ZINC000252513392 432383531 /nfs/dbraw/zinc/38/35/31/432383531.db2.gz ZNECNJZIMLKZIN-BMFZPTHFSA-N 0 3 307.438 3.153 50 0 DGAAHN CSc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1C ZINC000253426187 432391936 /nfs/dbraw/zinc/39/19/36/432391936.db2.gz NVXOILWODNTFGG-DZGCQCFKSA-N 0 3 319.474 3.275 50 0 DGAAHN CC[C@@H](C(=O)[O-])[N@H+](C)CC1(C)CCN(Cc2ccccc2)CC1 ZINC000253429669 432397532 /nfs/dbraw/zinc/39/75/32/432397532.db2.gz IBIKHZMESOWJDE-KRWDZBQOSA-N 0 3 318.461 3.084 50 0 DGAAHN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1(C)CCN(Cc2ccccc2)CC1 ZINC000253429669 432397535 /nfs/dbraw/zinc/39/75/35/432397535.db2.gz IBIKHZMESOWJDE-KRWDZBQOSA-N 0 3 318.461 3.084 50 0 DGAAHN Cc1nc([C@H]2C[C@H](Nc3ccnc4ccccc43)C2)cc(=O)[nH]1 ZINC000253534995 432399841 /nfs/dbraw/zinc/39/98/41/432399841.db2.gz BNNJMYNRMBNDRD-JOCQHMNTSA-N 0 3 306.369 3.397 50 0 DGAAHN COCCN1CCC[C@H]1COC(=O)/C=C\c1ccc(Cl)cc1 ZINC000254309917 432401980 /nfs/dbraw/zinc/40/19/80/432401980.db2.gz GWKBDGDXAAQSLI-HWYHOQROSA-N 0 3 323.820 3.007 50 0 DGAAHN CCC(=O)N1CCC2(CN(C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257179635 432415794 /nfs/dbraw/zinc/41/57/94/432415794.db2.gz JCERAFQSSKMNOM-SFHVURJKSA-N 0 3 300.446 3.471 50 0 DGAAHN O=C1C[C@H](c2ccccc2)N(Cc2ccccn2)CCCCCN1 ZINC000257185100 432415949 /nfs/dbraw/zinc/41/59/49/432415949.db2.gz WBOVOLWHEIFBKC-LJQANCHMSA-N 0 3 323.440 3.315 50 0 DGAAHN CCN(CCC(C)(C)C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000176398672 432518187 /nfs/dbraw/zinc/51/81/87/432518187.db2.gz ADOBFXGDOBJPFZ-UHFFFAOYSA-N 0 3 319.449 3.342 50 0 DGAAHN C[C@H](NCc1ccc(CO)cc1)c1cccc(-n2ccnc2)c1 ZINC000195577368 432628434 /nfs/dbraw/zinc/62/84/34/432628434.db2.gz CDOYIJXKGUPJDH-HNNXBMFYSA-N 0 3 307.397 3.215 50 0 DGAAHN CN(CCC1(O)CCCC1)Cc1ccc(Cn2cccn2)cc1 ZINC000215767755 432644415 /nfs/dbraw/zinc/64/44/15/432644415.db2.gz NNZIVMPJJRKWSY-UHFFFAOYSA-N 0 3 313.445 3.058 50 0 DGAAHN COc1ccc(F)c(F)c1CN1CC[C@H](N2CCCCC2)C1 ZINC000216181963 432647469 /nfs/dbraw/zinc/64/74/69/432647469.db2.gz UZPSITPADIZFKY-ZDUSSCGKSA-N 0 3 310.388 3.034 50 0 DGAAHN Cc1nc(C)c(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188145182 432708403 /nfs/dbraw/zinc/70/84/03/432708403.db2.gz PUVJHMRGWOFOLG-KBPBESRZSA-N 0 3 308.472 3.029 50 0 DGAAHN COc1ccc(CN[C@H](C)c2cccc(-n3ccnc3)c2)cn1 ZINC000225438510 432691090 /nfs/dbraw/zinc/69/10/90/432691090.db2.gz VOSCYVQOAYRSRD-CQSZACIVSA-N 0 3 308.385 3.127 50 0 DGAAHN CCC(=O)N1CC[C@H](N[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000241371374 432815953 /nfs/dbraw/zinc/81/59/53/432815953.db2.gz MNASTBWLNFVINY-VBHSOAQHSA-N 0 3 304.409 3.050 50 0 DGAAHN C[C@H]1CCN(C[C@H](O)c2ccccc2Cl)C[C@H]1n1ccnc1 ZINC000241316868 432816086 /nfs/dbraw/zinc/81/60/86/432816086.db2.gz LVQBNVFFONXJJH-XKQJLSEDSA-N 0 3 319.836 3.153 50 0 DGAAHN Cc1cc(NC(=O)CN(C)C[C@@H]2CCCCN2C)ccc1Cl ZINC000244887881 432823291 /nfs/dbraw/zinc/82/32/91/432823291.db2.gz YQBQLFGDRGSLRC-HNNXBMFYSA-N 0 3 323.868 3.003 50 0 DGAAHN Cc1nc(CCN2CCC(O)(c3ccc(F)cc3)CC2)cs1 ZINC000244873410 432823914 /nfs/dbraw/zinc/82/39/14/432823914.db2.gz WPYSAAPWHHKSMU-UHFFFAOYSA-N 0 3 320.433 3.117 50 0 DGAAHN Cc1csc2nc(CN3CC[C@H]4CCCC[C@H]4C3)cc(=O)n12 ZINC000241231227 432815794 /nfs/dbraw/zinc/81/57/94/432815794.db2.gz KTDWIPQUQCBFTJ-KGLIPLIRSA-N 0 3 317.458 3.077 50 0 DGAAHN CN(C)CCN(C(=O)c1ccnc(C2CC2)c1)c1ccccc1 ZINC000341140987 432973492 /nfs/dbraw/zinc/97/34/92/432973492.db2.gz OQSMDJDKHQGCFJ-UHFFFAOYSA-N 0 3 309.413 3.167 50 0 DGAAHN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(CC(N)=O)CC1 ZINC000069518651 290223695 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CCN(CC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000071846729 191030781 /nfs/dbraw/zinc/03/07/81/191030781.db2.gz PUCRQYGSOJMWIS-UHFFFAOYSA-N 0 3 321.490 3.152 50 0 DGAAHN Cc1ccc(F)cc1CN1CCCC[C@@H]1CCN1CCOCC1 ZINC000072152503 191058059 /nfs/dbraw/zinc/05/80/59/191058059.db2.gz UCICNSCPVIKPRS-LJQANCHMSA-N 0 3 320.452 3.211 50 0 DGAAHN Cc1nc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc(=O)[n-]1 ZINC000072154130 191059404 /nfs/dbraw/zinc/05/94/04/191059404.db2.gz SZSVNGYSEWLJRQ-QGZVFWFLSA-N 0 3 311.429 3.303 50 0 DGAAHN Cc1nc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc(=O)[n-]1 ZINC000072154130 191059405 /nfs/dbraw/zinc/05/94/05/191059405.db2.gz SZSVNGYSEWLJRQ-QGZVFWFLSA-N 0 3 311.429 3.303 50 0 DGAAHN CN1CCC(NC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000017054292 282711073 /nfs/dbraw/zinc/71/10/73/282711073.db2.gz IUXBZYQFQHCZKL-UHFFFAOYSA-N 0 3 317.380 3.086 50 0 DGAAHN CC(C)N(Cc1nnc(-c2cccc(F)c2)o1)C1CCOCC1 ZINC000072685546 191215937 /nfs/dbraw/zinc/21/59/37/191215937.db2.gz FHRLTRNQIYBDMU-UHFFFAOYSA-N 0 3 319.380 3.265 50 0 DGAAHN CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000067515042 432031939 /nfs/dbraw/zinc/03/19/39/432031939.db2.gz SUDSBNABHUPUFT-HNNXBMFYSA-N 0 3 304.409 3.120 50 0 DGAAHN CN1CCC=C(CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067673206 432034476 /nfs/dbraw/zinc/03/44/76/432034476.db2.gz HUYCQEFJMCXYTN-UHFFFAOYSA-N 0 3 306.409 3.345 50 0 DGAAHN COc1ccccc1C(=O)N1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000004745986 181146758 /nfs/dbraw/zinc/14/67/58/181146758.db2.gz SQUUOBNSBPLQNM-HOTGVXAUSA-N 0 3 316.445 3.032 50 0 DGAAHN Cc1nc[nH]c1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000067805660 432041413 /nfs/dbraw/zinc/04/14/13/432041413.db2.gz VYWCIGRMTNLFEY-OAHLLOKOSA-N 0 3 323.400 3.148 50 0 DGAAHN Cc1cccc2[nH]c(CCN(C)Cc3cccc4c3OCO4)nc21 ZINC000067804583 432041498 /nfs/dbraw/zinc/04/14/98/432041498.db2.gz YIHANXRHQZGLHZ-UHFFFAOYSA-N 0 3 323.396 3.275 50 0 DGAAHN Cc1cccc2nc(CCN(C)Cc3cccc4c3OCO4)[nH]c21 ZINC000067804583 432041503 /nfs/dbraw/zinc/04/15/03/432041503.db2.gz YIHANXRHQZGLHZ-UHFFFAOYSA-N 0 3 323.396 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Cc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006731149 181379030 /nfs/dbraw/zinc/37/90/30/181379030.db2.gz JXLUZRHFDQWQDX-UHFFFAOYSA-N 0 3 322.452 3.318 50 0 DGAAHN Fc1ccc(CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)c(F)c1 ZINC000091829166 193113074 /nfs/dbraw/zinc/11/30/74/193113074.db2.gz HUHIFDQEFOLPMM-WMLDXEAASA-N 0 3 306.400 3.271 50 0 DGAAHN COC[C@@H]1CCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000091863013 193118454 /nfs/dbraw/zinc/11/84/54/193118454.db2.gz WDUMQJPJWOIAJO-SFHVURJKSA-N 0 3 312.413 3.271 50 0 DGAAHN NC1(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000092061592 193149569 /nfs/dbraw/zinc/14/95/69/193149569.db2.gz ZWHVEXGVOCSORF-UHFFFAOYSA-N 0 3 320.436 3.086 50 0 DGAAHN C[C@H]1CNC(=O)CCN1Cc1ccc(Oc2ccccc2)cc1 ZINC000215236367 201454496 /nfs/dbraw/zinc/45/44/96/201454496.db2.gz RIJKMYRDNGUUMX-HNNXBMFYSA-N 0 3 310.397 3.189 50 0 DGAAHN CCc1nccn1[C@@H]1CCCN(CCOc2ccccc2F)C1 ZINC000106216771 284043934 /nfs/dbraw/zinc/04/39/34/284043934.db2.gz JGWREDICEDDJMT-OAHLLOKOSA-N 0 3 317.408 3.301 50 0 DGAAHN COc1ccc([C@@H](C)NC[C@@](C)(O)c2ccc(C)o2)cc1F ZINC000095423190 193443540 /nfs/dbraw/zinc/44/35/40/193443540.db2.gz BHDWSRDIUFGQGF-SJKOYZFVSA-N 0 3 307.365 3.294 50 0 DGAAHN O=C(Cc1cccs1)Nc1ncc(Br)s1 ZINC000017030882 182068863 /nfs/dbraw/zinc/06/88/63/182068863.db2.gz KKJOQZKEKOSPFP-UHFFFAOYSA-N 0 3 303.206 3.148 50 0 DGAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1n[nH]c2ccccc21 ZINC000019720490 182138243 /nfs/dbraw/zinc/13/82/43/182138243.db2.gz YHISBWJSWIZMFS-UHFFFAOYSA-N 0 3 320.396 3.411 50 0 DGAAHN COc1ccc(-c2ccc(CNCCN(C)C)o2)cc1Cl ZINC000019582947 182132570 /nfs/dbraw/zinc/13/25/70/182132570.db2.gz OGYLOHRPIHGIHO-UHFFFAOYSA-N 0 3 308.809 3.260 50 0 DGAAHN c1ccc(CCCCN2CCCN(c3ncccn3)CC2)cc1 ZINC000020119709 182189370 /nfs/dbraw/zinc/18/93/70/182189370.db2.gz PYOCNFGXTGFJFB-UHFFFAOYSA-N 0 3 310.445 3.012 50 0 DGAAHN O=C(c1nccc2ccccc21)N1CCN(CC2CCCC2)CC1 ZINC000020149507 182192599 /nfs/dbraw/zinc/19/25/99/182192599.db2.gz NTKMUAGVAWNBCH-UHFFFAOYSA-N 0 3 323.440 3.183 50 0 DGAAHN COc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000020248660 182200164 /nfs/dbraw/zinc/20/01/64/182200164.db2.gz CBGGTJGADYKOMY-UHFFFAOYSA-N 0 3 324.468 3.446 50 0 DGAAHN Fc1ccccc1-c1ccc(CN[C@@H]2CN3CCC2CC3)o1 ZINC000020477271 182221579 /nfs/dbraw/zinc/22/15/79/182221579.db2.gz NJNSIHPVUQIWHR-QGZVFWFLSA-N 0 3 300.377 3.270 50 0 DGAAHN COc1cccc2c1OC[C@@H](NCc1csc(C(C)=O)c1)C2 ZINC000020534505 182227821 /nfs/dbraw/zinc/22/78/21/182227821.db2.gz PFSLARCMJQOGSA-AWEZNQCLSA-N 0 3 317.410 3.053 50 0 DGAAHN Cc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)o1 ZINC000020779352 182246821 /nfs/dbraw/zinc/24/68/21/182246821.db2.gz DYPAOPUVNKFZLV-SFHVURJKSA-N 0 3 320.477 3.037 50 0 DGAAHN Fc1ccc(OCCN2CCN(C3CCCCC3)CC2)cc1 ZINC000020819987 182248192 /nfs/dbraw/zinc/24/81/92/182248192.db2.gz SETPJCBVOQANIX-UHFFFAOYSA-N 0 3 306.425 3.155 50 0 DGAAHN Cc1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)no1 ZINC000021835789 182294220 /nfs/dbraw/zinc/29/42/20/182294220.db2.gz AGBYJSJTRGZXFO-GFCCVEGCSA-N 0 3 320.418 3.003 50 0 DGAAHN O[C@@H](CNC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000022029974 182305523 /nfs/dbraw/zinc/30/55/23/182305523.db2.gz QKQLDJIRSWQZPF-MSOLQXFVSA-N 0 3 314.429 3.130 50 0 DGAAHN COc1ccc([C@H](CNC(=O)c2sccc2C)N(C)C)cc1 ZINC000022414226 182321100 /nfs/dbraw/zinc/32/11/00/182321100.db2.gz UPFSSJQFYGTSKQ-HNNXBMFYSA-N 0 3 318.442 3.098 50 0 DGAAHN CN1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000022452621 182322507 /nfs/dbraw/zinc/32/25/07/182322507.db2.gz PJFIRVKLWWWLTE-UHFFFAOYSA-N 0 3 310.441 3.403 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)C1CCCC1)c1cccc(OC)c1 ZINC000023182509 182352983 /nfs/dbraw/zinc/35/29/83/182352983.db2.gz VEUBQXBLCRAEQQ-SFHVURJKSA-N 0 3 318.461 3.385 50 0 DGAAHN O=C(NCC1CCN(Cc2cccs2)CC1)c1cccs1 ZINC000023016912 182345049 /nfs/dbraw/zinc/34/50/49/182345049.db2.gz VLYWSRGBWAGWOP-UHFFFAOYSA-N 0 3 320.483 3.452 50 0 DGAAHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C ZINC000025420074 182414045 /nfs/dbraw/zinc/41/40/45/182414045.db2.gz CQQCRRXNPIQQDR-OAHLLOKOSA-N 0 3 302.443 3.398 50 0 DGAAHN Cc1ccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)o1 ZINC000039400602 183018474 /nfs/dbraw/zinc/01/84/74/183018474.db2.gz DYPAOPUVNKFZLV-GOSISDBHSA-N 0 3 320.477 3.037 50 0 DGAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000040073575 183031489 /nfs/dbraw/zinc/03/14/89/183031489.db2.gz MUBONCCURPTRQU-MRXNPFEDSA-N 0 3 316.445 3.222 50 0 DGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccccn1 ZINC000043231360 183345907 /nfs/dbraw/zinc/34/59/07/183345907.db2.gz NKPHZMLGRNOKQE-CYBMUJFWSA-N 0 3 316.430 3.102 50 0 DGAAHN C[C@H](C(=O)NCc1ccccc1Cl)N1C[C@H](C)C[C@@H](C)C1 ZINC000104620423 194021617 /nfs/dbraw/zinc/02/16/17/194021617.db2.gz VLZHKZHVGVXWQY-MGPQQGTHSA-N 0 3 308.853 3.323 50 0 DGAAHN CCNC(=O)c1ccc(CNCc2cccc(OCC)c2)cc1 ZINC000048713250 183682053 /nfs/dbraw/zinc/68/20/53/183682053.db2.gz ADVDLGBSSBITEM-UHFFFAOYSA-N 0 3 312.413 3.125 50 0 DGAAHN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000106744690 194249255 /nfs/dbraw/zinc/24/92/55/194249255.db2.gz JMBFJQPPFXDILQ-HZSPNIEDSA-N 0 3 308.853 3.323 50 0 DGAAHN O=C(C=C1CCCCC1)NCCCN1CCc2ccccc2C1 ZINC000055992597 184002769 /nfs/dbraw/zinc/00/27/69/184002769.db2.gz IIEQSJUSAHBWSP-UHFFFAOYSA-N 0 3 312.457 3.442 50 0 DGAAHN CCSCc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000056057573 184004031 /nfs/dbraw/zinc/00/40/31/184004031.db2.gz AWWMJJOVLKTYST-UHFFFAOYSA-N 0 3 306.475 3.106 50 0 DGAAHN CC/C=C(/C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000058277646 184098128 /nfs/dbraw/zinc/09/81/28/184098128.db2.gz YXIXLSKKMJWDJJ-UUASQNMZSA-N 0 3 316.445 3.132 50 0 DGAAHN O=C(c1cc(Cl)ccc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000062976604 184264143 /nfs/dbraw/zinc/26/41/43/184264143.db2.gz METKBJNGLYVYKJ-CYBMUJFWSA-N 0 3 310.800 3.180 50 0 DGAAHN c1cc(CN2CCC[C@H](c3nncn3Cc3ccccc3)C2)co1 ZINC000065287781 184322662 /nfs/dbraw/zinc/32/26/62/184322662.db2.gz RJNJABSRLVJECP-SFHVURJKSA-N 0 3 322.412 3.299 50 0 DGAAHN CN1CCC(N(C/C=C/c2ccco2)Cc2ccncc2)CC1 ZINC000065374157 184330360 /nfs/dbraw/zinc/33/03/60/184330360.db2.gz JYTZCXLAKMQISF-DUXPYHPUSA-N 0 3 311.429 3.284 50 0 DGAAHN Cc1ccccc1NC(=O)CCN(C)C[C@H]1Cc2ccccc2O1 ZINC000065468176 184350564 /nfs/dbraw/zinc/35/05/64/184350564.db2.gz XTEXDSLZBRUKEE-QGZVFWFLSA-N 0 3 324.424 3.259 50 0 DGAAHN CCN1CCC[C@@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 ZINC000069348027 184507991 /nfs/dbraw/zinc/50/79/91/184507991.db2.gz YHSWINKKEOYAAY-GOSISDBHSA-N 0 3 302.462 3.343 50 0 DGAAHN Cc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)ccn1 ZINC000119676021 195014295 /nfs/dbraw/zinc/01/42/95/195014295.db2.gz FNOOLMCVHZFTPG-UHFFFAOYSA-N 0 3 324.428 3.176 50 0 DGAAHN C[C@@H](NCc1cscc1Br)[C@@H]1CCCOC1 ZINC000336780336 253000789 /nfs/dbraw/zinc/00/07/89/253000789.db2.gz QZXPIXSMYKUTHR-NXEZZACHSA-N 0 3 304.253 3.415 50 0 DGAAHN CCc1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000339046584 253396837 /nfs/dbraw/zinc/39/68/37/253396837.db2.gz BHWVNALEPWHINP-FQEVSTJZSA-N 0 3 309.457 3.350 50 0 DGAAHN C[C@@H]1C[C@@H](N(C)Cc2cnns2)CCN1Cc1ccccc1 ZINC000289951492 221336909 /nfs/dbraw/zinc/33/69/09/221336909.db2.gz HYJXAMNXWZTSAS-ZBFHGGJFSA-N 0 3 316.474 3.023 50 0 DGAAHN Cc1cccc2nc(CN(C)[C@@H](C)c3ccccc3)cc(=O)n12 ZINC000225492572 257274438 /nfs/dbraw/zinc/27/44/38/257274438.db2.gz OENGUXXHALLJOY-HNNXBMFYSA-N 0 3 307.397 3.196 50 0 DGAAHN C/C=C1\CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000252078475 257259071 /nfs/dbraw/zinc/25/90/71/257259071.db2.gz DTEXULLZKFAGHZ-BKDPWHMHSA-N 0 3 324.424 3.317 50 0 DGAAHN CC(C)c1cc(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)no1 ZINC000121769733 195343320 /nfs/dbraw/zinc/34/33/20/195343320.db2.gz ORJBOPSZSAKXEI-AWEZNQCLSA-N 0 3 319.449 3.325 50 0 DGAAHN C[C@@H](NCc1ccnc(N)c1)c1ccc(Br)cc1 ZINC000193493389 533462366 /nfs/dbraw/zinc/46/23/66/533462366.db2.gz QVPDKIKOOGLDDC-SNVBAGLBSA-N 0 3 306.207 3.277 50 0 DGAAHN Cc1cccc(-n2cc(CNC3CSCCSC3)cn2)c1 ZINC000584890023 400121995 /nfs/dbraw/zinc/12/19/95/400121995.db2.gz ZHYGLJOIBNIICY-UHFFFAOYSA-N 0 3 319.499 3.119 50 0 DGAAHN CSc1cccc2c(C)cc(N3CCCN(C)CC3)nc12 ZINC000023550173 400210477 /nfs/dbraw/zinc/21/04/77/400210477.db2.gz OKRZMCLJYCAMAJ-UHFFFAOYSA-N 0 3 301.459 3.407 50 0 DGAAHN CCCSc1cccc(N2CCN(CCCCCO)CC2)c1 ZINC000096026795 400274332 /nfs/dbraw/zinc/27/43/32/400274332.db2.gz FBNKDKRNRGCTFY-UHFFFAOYSA-N 0 3 322.518 3.473 50 0 DGAAHN O=C(c1cccc(CN[C@H]2CCCSC2)c1)N1CCCCC1 ZINC000097370986 400284703 /nfs/dbraw/zinc/28/47/03/400284703.db2.gz ORKHAXQVSSHNSA-KRWDZBQOSA-N 0 3 318.486 3.298 50 0 DGAAHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1cccnc1 ZINC000072268632 400376824 /nfs/dbraw/zinc/37/68/24/400376824.db2.gz KGYSGEAUBFJHIR-BHYGNILZSA-N 0 3 301.434 3.008 50 0 DGAAHN Cc1ccc2cccc(NC(=O)N3CC[C@H](N4CCCC4)C3)c2n1 ZINC000072285087 400378096 /nfs/dbraw/zinc/37/80/96/400378096.db2.gz NJLZWRZCCALRNI-INIZCTEOSA-N 0 3 324.428 3.245 50 0 DGAAHN CCCCCN(C)c1ccc(F)cc1CNCCC(=O)N(C)C ZINC000075093196 400558074 /nfs/dbraw/zinc/55/80/74/400558074.db2.gz QFOBWBYGRXVBFJ-UHFFFAOYSA-N 0 3 323.456 3.020 50 0 DGAAHN C[C@H]1CC[C@@H](CN2CCC(OCc3ccccc3F)CC2)O1 ZINC000225598205 400958014 /nfs/dbraw/zinc/95/80/14/400958014.db2.gz HUUUNAYJZGXZED-YOEHRIQHSA-N 0 3 307.409 3.374 50 0 DGAAHN Cc1nc(CN(CCc2ccccc2)[C@H]2CCN(C)C2)oc1C ZINC000089558270 401226923 /nfs/dbraw/zinc/22/69/23/401226923.db2.gz IHKCJQQRCLZANB-SFHVURJKSA-N 0 3 313.445 3.040 50 0 DGAAHN COC[C@@H](O)CN[C@@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000131548523 196178979 /nfs/dbraw/zinc/17/89/79/196178979.db2.gz XLLKUSSZTWGEDL-DOTOQJQBSA-N 0 3 321.461 3.103 50 0 DGAAHN O=C(Nc1cccc(CN2CCCCC2)c1)C1SCCS1 ZINC000270431135 432245298 /nfs/dbraw/zinc/24/52/98/432245298.db2.gz FYADFCNGYCRBMR-UHFFFAOYSA-N 0 3 322.499 3.417 50 0 DGAAHN COc1coc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000426571817 274166764 /nfs/dbraw/zinc/16/67/64/274166764.db2.gz RLMBWKBAUHCTNY-INIZCTEOSA-N 0 3 313.397 3.274 50 0 DGAAHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(Br)cc1 ZINC000000210698 274217380 /nfs/dbraw/zinc/21/73/80/274217380.db2.gz FTGYIFWMHPWALZ-NSHDSACASA-N 0 3 312.207 3.090 50 0 DGAAHN C/C(=C/c1ccccc1)[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000097998066 275399089 /nfs/dbraw/zinc/39/90/89/275399089.db2.gz YSUVMVPFDVAORU-JNSOCZORSA-N 0 3 303.369 3.188 50 0 DGAAHN CC(=O)N1[C@H](NC2CCCCC2)C[C@H](C)N1c1ccccc1 ZINC000004723601 275476210 /nfs/dbraw/zinc/47/62/10/275476210.db2.gz ZKJKFUBVDNZNIV-KSSFIOAISA-N 0 3 301.434 3.297 50 0 DGAAHN CCCCNC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000002116525 276236293 /nfs/dbraw/zinc/23/62/93/276236293.db2.gz VFXQBSPHOLZSOG-RDJZCZTQSA-N 0 3 301.434 3.112 50 0 biogenic DGAAHN CCN(CC)[C@H](CNc1ncnc2oc(C)nc21)c1ccco1 ZINC000055358182 276340814 /nfs/dbraw/zinc/34/08/14/276340814.db2.gz JXOJXNRQYVNGLP-GFCCVEGCSA-N 0 3 315.377 3.014 50 0 DGAAHN CN1CCC(NC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000072434007 277030254 /nfs/dbraw/zinc/03/02/54/277030254.db2.gz JTQMTSKDCFBSPV-UHFFFAOYSA-N 0 3 308.381 3.410 50 0 DGAAHN C[C@H](CN1CCCCCC1)NCc1nncn1C1CCCCC1 ZINC000067788660 278188592 /nfs/dbraw/zinc/18/85/92/278188592.db2.gz IMFUHTUGEWGGNL-MRXNPFEDSA-N 0 3 319.497 3.137 50 0 DGAAHN c1ccc2c(c1)[nH]c1nc(SCCN3CCCCC3)nnc21 ZINC000000080363 431118675 /nfs/dbraw/zinc/11/86/75/431118675.db2.gz DRVRCPIXTBQSMC-UHFFFAOYSA-N 0 3 313.430 3.084 50 0 DGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000084471 431123094 /nfs/dbraw/zinc/12/30/94/431123094.db2.gz XQQCWHHHQWVAGC-UHFFFAOYSA-N 0 3 312.388 3.220 50 0 DGAAHN COc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000110891 431125152 /nfs/dbraw/zinc/12/51/52/431125152.db2.gz FFRLJTMYWBPSDR-UHFFFAOYSA-N 0 3 317.385 3.011 50 0 biogenic DGAAHN CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1cccnc1 ZINC000068363708 431125731 /nfs/dbraw/zinc/12/57/31/431125731.db2.gz KBJMFPVZLRIUPB-SFHVURJKSA-N 0 3 323.440 3.347 50 0 DGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000000157767 431135840 /nfs/dbraw/zinc/13/58/40/431135840.db2.gz KIZMZDYNZXXQND-UHFFFAOYSA-N 0 3 300.427 3.143 50 0 DGAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000000162861 431137012 /nfs/dbraw/zinc/13/70/12/431137012.db2.gz WUDUFRBXYAYWEV-UHFFFAOYSA-N 0 3 308.425 3.389 50 0 DGAAHN CCN(Cc1noc(C)n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106643402 279244087 /nfs/dbraw/zinc/24/40/87/279244087.db2.gz GZOSKPZWDFGHEP-RHSMWYFYSA-N 0 3 314.433 3.035 50 0 DGAAHN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000000317550 431165758 /nfs/dbraw/zinc/16/57/58/431165758.db2.gz BLOWQNVJGWCPNR-HNNXBMFYSA-N 0 3 318.436 3.296 50 0 DGAAHN CCN(CCO)Cc1cc2cc(Br)ccc2s1 ZINC000000338844 431168249 /nfs/dbraw/zinc/16/82/49/431168249.db2.gz RXQQEQGNBNJHGT-UHFFFAOYSA-N 0 3 314.248 3.478 50 0 DGAAHN CCN(CCO)Cc1csc2ccc(Br)cc12 ZINC000000338779 431169332 /nfs/dbraw/zinc/16/93/32/431169332.db2.gz QLDCYLXQWZJOHQ-UHFFFAOYSA-N 0 3 314.248 3.478 50 0 DGAAHN CCSCc1ccc(C(=O)N2CCCN(CC)CC2)cc1 ZINC000069461103 431190524 /nfs/dbraw/zinc/19/05/24/431190524.db2.gz ZQJYDUAUAQFEGJ-UHFFFAOYSA-N 0 3 306.475 3.108 50 0 DGAAHN c1csc(-c2csc(CN[C@H]3CCc4ncnn4C3)c2)c1 ZINC000069510984 431192794 /nfs/dbraw/zinc/19/27/94/431192794.db2.gz IBQSZMOSORCGOT-LBPRGKRZSA-N 0 3 316.455 3.173 50 0 DGAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2cnn(-c3ccccc3)c2)c1 ZINC000069531727 431196688 /nfs/dbraw/zinc/19/66/88/431196688.db2.gz CJQDCANRCSOHSR-HOTGVXAUSA-N 0 3 309.417 3.117 50 0 DGAAHN O=C([C@@H]1CCCN(Cc2cccs2)C1)N1CCCCCC1 ZINC000000212594 431147265 /nfs/dbraw/zinc/14/72/65/431147265.db2.gz GOYOCCTUHHVZNJ-OAHLLOKOSA-N 0 3 306.475 3.363 50 0 DGAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(OC)c(C)c2)C1 ZINC000000240059 431151144 /nfs/dbraw/zinc/15/11/44/431151144.db2.gz PZVIJFZLBVKERF-KRWDZBQOSA-N 0 3 318.461 3.084 50 0 DGAAHN CCOc1ccc(NC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000000250029 431152890 /nfs/dbraw/zinc/15/28/90/431152890.db2.gz CEONUKADDXRNBN-GJZGRUSLSA-N 0 3 319.449 3.470 50 0 DGAAHN O=C(Cc1cccc(Cl)c1)Nc1ccc2c(c1)CNCC2 ZINC000069052589 431156131 /nfs/dbraw/zinc/15/61/31/431156131.db2.gz OYGHHDFBRZKSHT-UHFFFAOYSA-N 0 3 300.789 3.167 50 0 DGAAHN COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@H](CC(C)C)CN1CC2 ZINC000002567237 431257440 /nfs/dbraw/zinc/25/74/40/431257440.db2.gz WEQLWGNDNRARGE-OIISXLGYSA-N 0 3 319.445 3.030 50 0 DGAAHN Cn1cc([C@@H]2CCCN2CCCc2nc3ccccc3o2)cn1 ZINC000069668860 431209577 /nfs/dbraw/zinc/20/95/77/431209577.db2.gz USKKQQUOZPWLFD-INIZCTEOSA-N 0 3 310.401 3.331 50 0 DGAAHN CCN(CC)C(=O)[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000001226160 431216511 /nfs/dbraw/zinc/21/65/11/431216511.db2.gz CCQWOIXWKAQARO-HCWHUNCVSA-N 0 3 300.446 3.280 50 0 DGAAHN CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(O)ccc1-2 ZINC000002231796 431249419 /nfs/dbraw/zinc/24/94/19/431249419.db2.gz IBSKETFVZRWGRW-UHFFFAOYSA-N 0 3 311.381 3.324 50 0 DGAAHN Cc1noc([C@@H]2CCCN(CCOC3CCCCCC3)C2)n1 ZINC000071913993 431316531 /nfs/dbraw/zinc/31/65/31/431316531.db2.gz YRIZNEVUCZYBTM-OAHLLOKOSA-N 0 3 307.438 3.297 50 0 DGAAHN CCCCNC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000004016888 431295920 /nfs/dbraw/zinc/29/59/20/431295920.db2.gz VFXQBSPHOLZSOG-DOTOQJQBSA-N 0 3 301.434 3.112 50 0 biogenic DGAAHN CCN1CCC[C@H](Nc2nc(C)nc3sc4c(c32)CCC4)C1 ZINC000071821702 431296702 /nfs/dbraw/zinc/29/67/02/431296702.db2.gz YYJQMFPXGJKJEC-LBPRGKRZSA-N 0 3 316.474 3.385 50 0 DGAAHN Cc1ccc2c(c1)CC[C@H]2NCc1cnc(N2CCCC2)nc1 ZINC000071837188 431299360 /nfs/dbraw/zinc/29/93/60/431299360.db2.gz CBCRSMHAEMWHLO-GOSISDBHSA-N 0 3 308.429 3.162 50 0 DGAAHN CC(C)c1nc2n(n1)C[C@H](NCc1cc3ccccc3o1)CC2 ZINC000071877297 431305189 /nfs/dbraw/zinc/30/51/89/431305189.db2.gz WAAKBGJEGSDKHS-CQSZACIVSA-N 0 3 310.401 3.252 50 0 DGAAHN COc1cccc(CNC[C@H](C)O)c1OCc1ccc(C)cc1 ZINC000006745281 431319860 /nfs/dbraw/zinc/31/98/60/431319860.db2.gz FHEGGUHCJAUKRW-HNNXBMFYSA-N 0 3 315.413 3.053 50 0 DGAAHN O=C(NCCN1CCCC1)c1ccc(COc2ccccc2)cc1 ZINC000007989743 431372894 /nfs/dbraw/zinc/37/28/94/431372894.db2.gz XNLZYNZDFFJWDG-UHFFFAOYSA-N 0 3 324.424 3.091 50 0 DGAAHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C12CCCC2 ZINC000072304619 279809323 /nfs/dbraw/zinc/80/93/23/279809323.db2.gz NZFXPUOGANSHAT-BRWVUGGUSA-N 0 3 322.493 3.105 50 0 DGAAHN CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000009368313 431434377 /nfs/dbraw/zinc/43/43/77/431434377.db2.gz LFCZCJCMGAQYGY-UHFFFAOYSA-N 0 3 303.450 3.266 50 0 DGAAHN CCN1CCN(c2ccc(NC(=O)C3CCCC3)cc2C)CC1 ZINC000009368953 431434696 /nfs/dbraw/zinc/43/46/96/431434696.db2.gz WACBSWBCCSELRM-UHFFFAOYSA-N 0 3 315.461 3.266 50 0 DGAAHN O=C(CN1CCC[C@@H]1Cc1ccccc1)N1CCc2ccccc21 ZINC000012819857 431533020 /nfs/dbraw/zinc/53/30/20/431533020.db2.gz CWMIPOGRXBTDLB-LJQANCHMSA-N 0 3 320.436 3.283 50 0 DGAAHN COc1cccc(C(=O)[C@@H]2CCCN(CCCSC)C2)c1 ZINC000012474611 431509435 /nfs/dbraw/zinc/50/94/35/431509435.db2.gz OMHPTLWAWKLAKV-OAHLLOKOSA-N 0 3 307.459 3.343 50 0 DGAAHN COCCC[C@H]1CCCCN1Cc1nc(C)n2ccccc12 ZINC000077469752 431595923 /nfs/dbraw/zinc/59/59/23/431595923.db2.gz RFQARCUIHYFWIQ-MRXNPFEDSA-N 0 3 301.434 3.424 50 0 DGAAHN O=C1Nc2ccccc2[C@H]1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000020759442 431624614 /nfs/dbraw/zinc/62/46/14/431624614.db2.gz YGURMDITZSVQME-WMZOPIPTSA-N 0 3 303.365 3.091 50 0 biogenic DGAAHN Cc1ccsc1CN(C)CCC(=O)Nc1cc(N)ccc1F ZINC000081645696 431798952 /nfs/dbraw/zinc/79/89/52/431798952.db2.gz HWAZPJOTYGRBGF-UHFFFAOYSA-N 0 3 321.421 3.238 50 0 DGAAHN Clc1ccccc1CNC1CCN(c2ccccn2)CC1 ZINC000036932143 431842909 /nfs/dbraw/zinc/84/29/09/431842909.db2.gz UVUBBMLVXRIDKT-UHFFFAOYSA-N 0 3 301.821 3.494 50 0 DGAAHN O=C(c1ccccc1)C1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000040487743 431857183 /nfs/dbraw/zinc/85/71/83/431857183.db2.gz FMMURWOQSJRIOQ-IBGZPJMESA-N 0 3 309.409 3.315 50 0 DGAAHN CC(=O)N1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000034995206 431822602 /nfs/dbraw/zinc/82/26/02/431822602.db2.gz SNQXMUIQYFEEPG-UHFFFAOYSA-N 0 3 301.217 3.094 50 0 DGAAHN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(CC2CCC2)C1 ZINC000084630718 431830036 /nfs/dbraw/zinc/83/00/36/431830036.db2.gz RTFDVMNZJSLGQK-INIZCTEOSA-N 0 3 319.449 3.021 50 0 DGAAHN Cc1ccc(N2C(=O)C[C@H](N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000036047207 431834266 /nfs/dbraw/zinc/83/42/66/431834266.db2.gz FICKTBOMIPGRMD-OTRWWLKZSA-N 0 3 314.429 3.041 50 0 DGAAHN Cc1cc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)on1 ZINC000092002293 431908114 /nfs/dbraw/zinc/90/81/14/431908114.db2.gz DYOVTGXFHMNGOX-ZWKOTPCHSA-N 0 3 311.429 3.079 50 0 DGAAHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000095459139 431926236 /nfs/dbraw/zinc/92/62/36/431926236.db2.gz FSOYWSRXIMLBTH-QLFBSQMISA-N 0 3 304.434 3.135 50 0 DGAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc2ccccc2n1 ZINC000048235933 431921106 /nfs/dbraw/zinc/92/11/06/431921106.db2.gz IZJBHEGEBDCIMO-KZULUSFZSA-N 0 3 320.348 3.402 50 0 DGAAHN C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2CCc2ccccc2)C1 ZINC000048324372 431922632 /nfs/dbraw/zinc/92/26/32/431922632.db2.gz ILZKFQIMEMMVIE-IEBWSBKVSA-N 0 3 314.473 3.342 50 0 DGAAHN c1ncn(C2CCCCC2)c1CN1CCC[C@@]2(CCOC2)C1 ZINC000095361010 431923461 /nfs/dbraw/zinc/92/34/61/431923461.db2.gz TVKDWNCSZRLJKJ-GOSISDBHSA-N 0 3 303.450 3.391 50 0 DGAAHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccsc2)cc1 ZINC000095420293 431924930 /nfs/dbraw/zinc/92/49/30/431924930.db2.gz KHCBKOHWWXUHCN-LBPRGKRZSA-N 0 3 324.471 3.361 50 0 DGAAHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 ZINC000095422864 431925355 /nfs/dbraw/zinc/92/53/55/431925355.db2.gz FNPQCDJKTZNANN-ZYHUDNBSSA-N 0 3 314.401 3.273 50 0 DGAAHN c1cn2c(n1)[C@H](CNCc1ccccc1OCC1CC1)CCC2 ZINC000089813990 431880781 /nfs/dbraw/zinc/88/07/81/431880781.db2.gz QSKRNQVEWHAWAB-KRWDZBQOSA-N 0 3 311.429 3.339 50 0 DGAAHN c1cn(C2CCN(CCOc3cccc4ccccc43)CC2)nn1 ZINC000089873257 431883048 /nfs/dbraw/zinc/88/30/48/431883048.db2.gz IIEYGJHDEFTVCJ-UHFFFAOYSA-N 0 3 322.412 3.147 50 0 DGAAHN C[C@H]1C[C@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 ZINC000089920326 431885843 /nfs/dbraw/zinc/88/58/43/431885843.db2.gz JRDBICHPJLHHPH-JSGCOSHPSA-N 0 3 314.351 3.108 50 0 DGAAHN CCOc1ccccc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000045959923 431891439 /nfs/dbraw/zinc/89/14/39/431891439.db2.gz JXDFYUGHXZFLOQ-GJZGRUSLSA-N 0 3 319.449 3.470 50 0 DGAAHN CCc1nc(C)c([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)s1 ZINC000090801377 431895583 /nfs/dbraw/zinc/89/55/83/431895583.db2.gz UTFKZIWHNOIEDE-TZMCWYRMSA-N 0 3 316.474 3.338 50 0 DGAAHN CN(CCc1ccncc1)Cc1cnn(-c2cccc(F)c2)c1 ZINC000097675329 431973422 /nfs/dbraw/zinc/97/34/22/431973422.db2.gz IKGHMTIALJZQBK-UHFFFAOYSA-N 0 3 310.376 3.081 50 0 DGAAHN Cc1cc(F)ccc1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000055054137 431975458 /nfs/dbraw/zinc/97/54/58/431975458.db2.gz XOKXOAYXKMSTCX-UHFFFAOYSA-N 0 3 320.433 3.400 50 0 DGAAHN Cc1cccc(-c2ncc(CNCCCC(C)(C)CO)cn2)c1 ZINC000055168720 431976975 /nfs/dbraw/zinc/97/69/75/431976975.db2.gz SHPKNFBCDWDKAX-UHFFFAOYSA-N 0 3 313.445 3.340 50 0 DGAAHN Cc1ccnc(C[C@H](C)N(C)Cc2cnc3ccccc3n2)c1 ZINC000055131944 431977201 /nfs/dbraw/zinc/97/72/01/431977201.db2.gz KUSGKJVLAJEILB-HNNXBMFYSA-N 0 3 306.413 3.396 50 0 DGAAHN Cc1cccc(-c2ncc(CNCCC[C@H]3CCOC3)cn2)c1 ZINC000055195631 431978661 /nfs/dbraw/zinc/97/86/61/431978661.db2.gz SMAMFWNLPRAQTR-INIZCTEOSA-N 0 3 311.429 3.358 50 0 DGAAHN CC[C@@H](C)N(Cc1ccc(-n2cncn2)cc1)Cc1cccnc1 ZINC000055307873 431979274 /nfs/dbraw/zinc/97/92/74/431979274.db2.gz UFKOHLCHJBKDCP-MRXNPFEDSA-N 0 3 321.428 3.463 50 0 DGAAHN C[C@@H](C[C@@H](O)c1ccccc1)NCc1nc2ccccc2n1C ZINC000095978166 431930865 /nfs/dbraw/zinc/93/08/65/431930865.db2.gz MMTMZEVHAJUWKP-KBXCAEBGSA-N 0 3 309.413 3.175 50 0 DGAAHN COc1ccc([C@@H]2C[C@@H](C)CN2Cc2ccc(CO)o2)cc1 ZINC000095982912 431931400 /nfs/dbraw/zinc/93/14/00/431931400.db2.gz CNWGDKSBDHURGX-ACJLOTCBSA-N 0 3 301.386 3.364 50 0 DGAAHN Cc1cc(C)n(-c2ccc(CNCc3cccc(C)c3)cn2)n1 ZINC000048742490 431931527 /nfs/dbraw/zinc/93/15/27/431931527.db2.gz WBHCSYFSZLSVLH-UHFFFAOYSA-N 0 3 306.413 3.482 50 0 DGAAHN COc1ccc([C@H]2C[C@@H](C)CN2Cc2ccc(CO)o2)cc1 ZINC000095982910 431932019 /nfs/dbraw/zinc/93/20/19/431932019.db2.gz CNWGDKSBDHURGX-FZKQIMNGSA-N 0 3 301.386 3.364 50 0 DGAAHN CCN(CC)CCSc1nncn1-c1cccc(Cl)c1 ZINC000096003425 431933425 /nfs/dbraw/zinc/93/34/25/431933425.db2.gz HOPAMMDRCNGIDE-UHFFFAOYSA-N 0 3 310.854 3.355 50 0 DGAAHN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C(N)=O)cc1 ZINC000096456817 431951599 /nfs/dbraw/zinc/95/15/99/431951599.db2.gz MTAGOELAQZZPDT-SGTLLEGYSA-N 0 3 312.388 3.338 50 0 DGAAHN CCN(Cc1ccc(C(=O)NC)cc1)[C@H](C)c1cccc(O)c1 ZINC000096455326 431951675 /nfs/dbraw/zinc/95/16/75/431951675.db2.gz FMCKUNBRQUSXCU-CQSZACIVSA-N 0 3 312.413 3.335 50 0 DGAAHN Cc1nc(C)c(CN[C@H](C)CC(=O)N2CCCCCC2)s1 ZINC000096478496 431953074 /nfs/dbraw/zinc/95/30/74/431953074.db2.gz LGFJYQLDGLIJPJ-GFCCVEGCSA-N 0 3 309.479 3.031 50 0 DGAAHN Clc1ccc(CN2CCC3(CC2)OCCO3)c2ncccc12 ZINC000052533051 431956468 /nfs/dbraw/zinc/95/64/68/431956468.db2.gz MCWOPFZSZAJVIN-UHFFFAOYSA-N 0 3 318.804 3.227 50 0 DGAAHN Cc1nscc1C(=O)OC1CCN(Cc2ccsc2)CC1 ZINC000097138803 431962515 /nfs/dbraw/zinc/96/25/15/431962515.db2.gz NJIOXYHKAKOHGS-UHFFFAOYSA-N 0 3 322.455 3.334 50 0 DGAAHN Cc1cccc(Cl)c1OCCNC(=O)[C@@H]1CCCCCN1C ZINC000097360171 431968241 /nfs/dbraw/zinc/96/82/41/431968241.db2.gz HAMCRTDLVDUMAA-HNNXBMFYSA-N 0 3 324.852 3.018 50 0 DGAAHN Cc1ccsc1CN(CCN(C)C)C(=O)[C@H]1CC=CCC1 ZINC000055414996 431981724 /nfs/dbraw/zinc/98/17/24/431981724.db2.gz LGSVULVBKBOZJL-HNNXBMFYSA-N 0 3 306.475 3.303 50 0 DGAAHN CC(C)C1=NO[C@H](CNCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055575553 431984310 /nfs/dbraw/zinc/98/43/10/431984310.db2.gz LSPILMRWQDTIPN-HNNXBMFYSA-N 0 3 316.380 3.106 50 0 DGAAHN OC1CCC(N[C@H](c2cccnc2)c2ccc(F)c(F)c2)CC1 ZINC000183284245 432277912 /nfs/dbraw/zinc/27/79/12/432277912.db2.gz HHPPJQXKKYGHJM-JMLCCBQJSA-N 0 3 318.367 3.342 50 0 DGAAHN CCC[C@H]1CCCN(Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000057909415 431995166 /nfs/dbraw/zinc/99/51/66/431995166.db2.gz VPBRHUYYQNRLHC-AWEZNQCLSA-N 0 3 319.474 3.467 50 0 DGAAHN CC(C)Cn1cc(C(=O)NC[C@H]2CCCN2C)c2ccccc21 ZINC000058427391 431996747 /nfs/dbraw/zinc/99/67/47/431996747.db2.gz TZYREWPWQFIJTK-OAHLLOKOSA-N 0 3 313.445 3.121 50 0 DGAAHN CSCc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000102716273 431997096 /nfs/dbraw/zinc/99/70/96/431997096.db2.gz GMJSVWROFBAOKE-MRXNPFEDSA-N 0 3 317.458 3.028 50 0 DGAAHN Cc1cc(CN(C)[C@@H](C)c2ccncc2)ccc1-n1cncn1 ZINC000183716302 432319576 /nfs/dbraw/zinc/31/95/76/432319576.db2.gz FANOFRMLUAATIO-HNNXBMFYSA-N 0 3 307.401 3.164 50 0 DGAAHN CCOc1ccccc1NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000252452458 432375914 /nfs/dbraw/zinc/37/59/14/432375914.db2.gz JXDFYUGHXZFLOQ-CABCVRRESA-N 0 3 319.449 3.470 50 0 DGAAHN C[C@H]1CCCN(C(=O)CN2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000252452750 432376632 /nfs/dbraw/zinc/37/66/32/432376632.db2.gz ZNWWVKUUXAAAMO-YJBOKZPZSA-N 0 3 318.436 3.091 50 0 DGAAHN C[C@H](CCN[C@@H](C)c1cc(Br)cs1)[S@](C)=O ZINC000252481466 432378580 /nfs/dbraw/zinc/37/85/80/432378580.db2.gz CMOSJYRMWPLOMG-GLSBUQGYSA-N 0 3 324.309 3.318 50 0 DGAAHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1nc2c(s1)CCC2 ZINC000252528106 432382605 /nfs/dbraw/zinc/38/26/05/432382605.db2.gz FBZBSNVKERGDCU-UOVKNHIHSA-N 0 3 304.459 3.240 50 0 DGAAHN CCO[C@@H]1C[C@H](O)C12CCN(C/C=C\c1ccc(F)cc1)CC2 ZINC000255059143 432407660 /nfs/dbraw/zinc/40/76/60/432407660.db2.gz CIDNOUVQFWYPEE-JWRSSPFQSA-N 0 3 319.420 3.091 50 0 DGAAHN N[C@H](CC1CCCCC1)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000261709768 432443067 /nfs/dbraw/zinc/44/30/67/432443067.db2.gz PLPAIDBWOXPMHY-QGZVFWFLSA-N 0 3 324.428 3.380 50 0 DGAAHN CCC(=O)N1CC[C@H](N[C@@H]2CCCOc3c(C)cc(C)cc32)C1 ZINC000095423902 281927571 /nfs/dbraw/zinc/92/75/71/281927571.db2.gz CDYGFJSTHIBSMY-DOTOQJQBSA-N 0 3 316.445 3.118 50 0 DGAAHN Cn1cncc1CNCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186507888 432603086 /nfs/dbraw/zinc/60/30/86/432603086.db2.gz CHLMEOVCIDXWCL-UHFFFAOYSA-N 0 3 309.335 3.260 50 0 DGAAHN COc1ccc2oc(CN3CCC[C@@H]3Cn3ccnc3)cc2c1 ZINC000195573499 432627770 /nfs/dbraw/zinc/62/77/70/432627770.db2.gz NLLGOAZKRSPCDJ-OAHLLOKOSA-N 0 3 311.385 3.303 50 0 DGAAHN CC(C)c1nccc(CN(C)Cc2ccc(CN(C)C)cc2)n1 ZINC000216271266 432649722 /nfs/dbraw/zinc/64/97/22/432649722.db2.gz HDTABCIMTKLMCK-UHFFFAOYSA-N 0 3 312.461 3.294 50 0 DGAAHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000221782837 432669856 /nfs/dbraw/zinc/66/98/56/432669856.db2.gz SIORFLHCFVOGBN-NEWSRXKRSA-N 0 3 312.457 3.185 50 0 DGAAHN CCO[C@H]1CN(Cc2cccc3c4ccccc4oc32)C[C@@H]1O ZINC000220485154 432666836 /nfs/dbraw/zinc/66/68/36/432666836.db2.gz GQMNNMIXTMEESX-WMZOPIPTSA-N 0 3 311.381 3.168 50 0 DGAAHN CCCCO[C@H]1C[C@H](OC(=O)C2CCN(C3CC3)CC2)C1(C)C ZINC000225389462 432689886 /nfs/dbraw/zinc/68/98/86/432689886.db2.gz MZIBNLJKKZJNAR-IRXDYDNUSA-N 0 3 323.477 3.388 50 0 DGAAHN CN(C[C@@H]1CCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000230215437 432727588 /nfs/dbraw/zinc/72/75/88/432727588.db2.gz NPKQYXUTEDEBMG-LKTVYLICSA-N 0 3 316.228 3.062 50 0 DGAAHN O[C@H](CN1C[C@@H]2CC=CC[C@H]2C1)c1cccc(Br)c1 ZINC000241644650 432817015 /nfs/dbraw/zinc/81/70/15/432817015.db2.gz PSLKCLXFJFHQAP-OFQRWUPVSA-N 0 3 322.246 3.381 50 0 DGAAHN Cc1cc(C)n(-c2ccccc2CN2CCN3CCCC[C@H]3C2)n1 ZINC000244633207 432821570 /nfs/dbraw/zinc/82/15/70/432821570.db2.gz FZDQVVINYJHCNT-IBGZPJMESA-N 0 3 324.472 3.159 50 0 DGAAHN COc1ccc(CN(CCn2cc(Cl)cn2)C2CC2)cc1 ZINC000244708068 432821922 /nfs/dbraw/zinc/82/19/22/432821922.db2.gz KMYONGYZYPTTNL-UHFFFAOYSA-N 0 3 305.809 3.210 50 0 DGAAHN Cc1cccc(CC2(O)CCN(CCc3ccccn3)CC2)c1 ZINC000280299389 433030548 /nfs/dbraw/zinc/03/05/48/433030548.db2.gz FPWRKIRVJTUHMP-UHFFFAOYSA-N 0 3 310.441 3.002 50 0 DGAAHN Fc1ccc([C@@H]2CCCCN2CCN2CCCOCC2)cc1 ZINC000361319989 433102965 /nfs/dbraw/zinc/10/29/65/433102965.db2.gz XTARARDLBULXRY-SFHVURJKSA-N 0 3 306.425 3.075 50 0 DGAAHN C[C@H]1CCCCN1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000299790996 433384989 /nfs/dbraw/zinc/38/49/89/433384989.db2.gz CZEOSYSSLFBKBP-HNNXBMFYSA-N 0 3 311.429 3.068 50 0 DGAAHN Cc1ccc(SCCCN(C)C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000426623191 433543263 /nfs/dbraw/zinc/54/32/63/433543263.db2.gz IJCFQWLHERVETI-HNNXBMFYSA-N 0 3 323.506 3.069 50 0 DGAAHN CN1CCC2(CC1)Nc1ccccc1-c1nc(-c3ccco3)nn12 ZINC000408525829 434588085 /nfs/dbraw/zinc/58/80/85/434588085.db2.gz SKIXOLWXKZVOKD-UHFFFAOYSA-N 0 3 321.384 3.009 50 0 DGAAHN C[C@H](NCc1nnc(-c2ccc(F)cc2)[nH]1)C(C)(C)C(F)F ZINC000657925480 436341115 /nfs/dbraw/zinc/34/11/15/436341115.db2.gz DTZKRJTWKWUMBK-VIFPVBQESA-N 0 3 312.339 3.380 50 0 DGAAHN Cc1ccc(Cl)cc1N1CCN(CCCn2ccnc2)CC1 ZINC000182618146 323306647 /nfs/dbraw/zinc/30/66/47/323306647.db2.gz 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/nfs/dbraw/zinc/85/09/71/545850971.db2.gz ZBMVXOYKJPNALO-ZDUSSCGKSA-N 0 3 319.478 3.092 50 0 DGAAHN CCN(CC)c1ncc(CN2CCC[C@@H](c3cn[nH]c3)C2)s1 ZINC000092809446 545851598 /nfs/dbraw/zinc/85/15/98/545851598.db2.gz ZBMVXOYKJPNALO-CYBMUJFWSA-N 0 3 319.478 3.092 50 0 DGAAHN CCOc1ccc(CN2CCC[C@H](c3cn[nH]c3)C2)cc1OC ZINC000092810115 545851667 /nfs/dbraw/zinc/85/16/67/545851667.db2.gz SRSACEXFEPLWHC-HNNXBMFYSA-N 0 3 315.417 3.197 50 0 DGAAHN c1nc2ccccc2n1C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000584908739 547024325 /nfs/dbraw/zinc/02/43/25/547024325.db2.gz VAKGYBDRWGFITD-QGZVFWFLSA-N 0 3 306.413 3.344 50 0 DGAAHN CN(Cc1ccc(C(F)(F)F)nc1)CC1(CO)CCCC1 ZINC000670444665 547755100 /nfs/dbraw/zinc/75/51/00/547755100.db2.gz NIPARIDBMSNJRV-UHFFFAOYSA-N 0 3 302.340 3.085 50 0 DGAAHN Cc1ccc(SC2CCN(C[C@H]3CCC(=O)O3)CC2)cc1 ZINC000670463006 547757894 /nfs/dbraw/zinc/75/78/94/547757894.db2.gz MYBKWJVXMMOSFV-CQSZACIVSA-N 0 3 305.443 3.257 50 0 DGAAHN Cc1ccc(SC2CCN(C[C@@H]3CCC(=O)O3)CC2)cc1 ZINC000670463005 547758402 /nfs/dbraw/zinc/75/84/02/547758402.db2.gz MYBKWJVXMMOSFV-AWEZNQCLSA-N 0 3 305.443 3.257 50 0 DGAAHN Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)COC3)N(C)C)cc1 ZINC000169969882 563901988 /nfs/dbraw/zinc/90/19/88/563901988.db2.gz BZHCTPNJDRTASL-LJQANCHMSA-N 0 3 324.424 3.058 50 0 DGAAHN CCN(CC)CC(=O)N[C@@]1(C)CCCC[C@@H]1c1ccc(O)cc1 ZINC000004829027 656386962 /nfs/dbraw/zinc/38/69/62/656386962.db2.gz UQINWEHNZRTUQN-MJGOQNOKSA-N 0 3 318.461 3.267 50 0 DGAAHN COc1ccc([C@@H](C)NCCc2nc(C(C)C)no2)c(OC)c1 ZINC000089577290 657856977 /nfs/dbraw/zinc/85/69/77/657856977.db2.gz JYFCZCPRMHRCEK-GFCCVEGCSA-N 0 3 319.405 3.104 50 0 DGAAHN CN1CCCCC[C@H]1C(=O)NCCCc1ccccc1Cl ZINC000952965664 662208838 /nfs/dbraw/zinc/20/88/38/662208838.db2.gz STRLPJQBOQMULN-INIZCTEOSA-N 0 3 308.853 3.263 50 0 DGAAHN CCOc1ccc([C@H](C)NC(=O)CN2CCCCCC2)cc1F ZINC000952963632 662209029 /nfs/dbraw/zinc/20/90/29/662209029.db2.gz HTNYHPICQZTZAQ-AWEZNQCLSA-N 0 3 322.424 3.278 50 0 DGAAHN CCCOc1ccc(CCNC(=O)[C@H]2CCCCCN2C)cc1 ZINC000952965530 662209101 /nfs/dbraw/zinc/20/91/01/662209101.db2.gz QAIMNCYLAZWSBK-GOSISDBHSA-N 0 3 318.461 3.009 50 0 DGAAHN O=c1cc(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)nc[n-]1 ZINC001506400738 1186222330 /nfs/dbraw/zinc/22/23/30/1186222330.db2.gz OQXNMVMNUBCQDL-SFHVURJKSA-N 0 3 311.429 3.463 50 0 DGAAHN Cc1cc(C)n(C[C@@H](C)NC2(c3cc(F)cc(F)c3)CC2)n1 ZINC001506413596 1186224349 /nfs/dbraw/zinc/22/43/49/1186224349.db2.gz RXGSFYVPFFRZBU-GFCCVEGCSA-N 0 3 305.372 3.446 50 0 DGAAHN c1ccc(CO[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)nc1 ZINC001506410287 1186224761 /nfs/dbraw/zinc/22/47/61/1186224761.db2.gz KAIGJTYTAMHFSH-LJQANCHMSA-N 0 3 324.424 3.198 50 0 DGAAHN C[C@@]1(O)CCOC2(CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC001704313250 1202520590 /nfs/dbraw/zinc/52/05/90/1202520590.db2.gz IYYFXBKIYRFPLY-ZMUQKWFASA-N 0 3 319.420 3.235 50 0 DGAAHN CCC[C@H](N)C(=O)Nc1cc(C)ccc1NC(=O)C1CCCC1 ZINC000822995698 1091679140 /nfs/dbraw/zinc/67/91/40/1091679140.db2.gz SGLXWMPLDNCKAC-AWEZNQCLSA-N 0 3 317.433 3.190 50 0 DGAAHN CN(Cc1ccc2c(ccn2C)c1)C[C@H]1COc2ccccc2O1 ZINC000823709181 1091697571 /nfs/dbraw/zinc/69/75/71/1091697571.db2.gz ATNIGHVVEPKQIC-KRWDZBQOSA-N 0 3 322.408 3.450 50 0 DGAAHN Cc1cnc(C2CC2)n1C[C@H]1CCCN(Cc2ccccn2)C1 ZINC000581806954 1092279690 /nfs/dbraw/zinc/27/96/90/1092279690.db2.gz FIZSXXJPZSMHSK-INIZCTEOSA-N 0 3 310.445 3.376 50 0 DGAAHN c1nc(C2OCCO2)sc1CN1CCCC[C@H]1C1CCC1 ZINC000585089102 1094992802 /nfs/dbraw/zinc/99/28/02/1094992802.db2.gz JLECHUAEIHYVKB-AWEZNQCLSA-N 0 3 308.447 3.343 50 0 DGAAHN CN(C)C[C@@H]1CSCC[C@@]1(O)c1ccc(C(F)(F)F)cc1 ZINC000000347747 282128823 /nfs/dbraw/zinc/12/88/23/282128823.db2.gz ADSAQTUAGOVXJN-ZIAGYGMSSA-N 0 3 319.392 3.208 50 0 DGAAHN COc1ccc(Cl)cc1N1CC[C@@H](NCc2ccccn2)C1 ZINC000078979915 185139714 /nfs/dbraw/zinc/13/97/14/185139714.db2.gz ICNWXGBNWPWXEV-OAHLLOKOSA-N 0 3 317.820 3.112 50 0 DGAAHN FC(F)(F)c1c[nH]c([C@H]2CCCN(C[C@H]3CCC=CO3)C2)n1 ZINC000278646552 214300309 /nfs/dbraw/zinc/30/03/09/214300309.db2.gz JGJAHMQGZSFPHU-NWDGAFQWSA-N 0 3 315.339 3.301 50 0 DGAAHN Cn1ccnc1[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000082161448 185174072 /nfs/dbraw/zinc/17/40/72/185174072.db2.gz AIYUIVFUJUPXBO-CQSZACIVSA-N 0 3 319.836 3.332 50 0 DGAAHN O=C1OCCN1CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000063492291 432006002 /nfs/dbraw/zinc/00/60/02/432006002.db2.gz BBDKLKDHBCKXJA-LJQANCHMSA-N 0 3 322.408 3.086 50 0 DGAAHN Cc1noc(C)c1CN1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082120039 192357814 /nfs/dbraw/zinc/35/78/14/192357814.db2.gz ROSNVDJHKYPWQL-INIZCTEOSA-N 0 3 314.433 3.278 50 0 DGAAHN CCC(=O)N1CC[C@H](N[C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000095423860 185361290 /nfs/dbraw/zinc/36/12/90/185361290.db2.gz MNASTBWLNFVINY-ZJNRKIDTSA-N 0 3 304.409 3.050 50 0 DGAAHN O=C(CCC(F)(F)F)N1CCC[C@H](NCc2ccccc2)C1 ZINC000095429514 185362518 /nfs/dbraw/zinc/36/25/18/185362518.db2.gz TXNYSHZDNJYRDO-AWEZNQCLSA-N 0 3 314.351 3.110 50 0 DGAAHN CC(C)Oc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000095466218 185371769 /nfs/dbraw/zinc/37/17/69/185371769.db2.gz HJSNSLVFXZGHHX-ZBFHGGJFSA-N 0 3 317.433 3.032 50 0 DGAAHN C[C@@H](CCc1ccccc1)CN1CCN(Cc2ccncc2)CC1 ZINC000095468608 185372522 /nfs/dbraw/zinc/37/25/22/185372522.db2.gz FGCPYRFCQDSNJZ-IBGZPJMESA-N 0 3 323.484 3.468 50 0 DGAAHN C[C@H](CNCc1ccc(Br)cc1)Oc1ccccn1 ZINC000095472045 185372550 /nfs/dbraw/zinc/37/25/50/185372550.db2.gz IGNAEEZEMCNXFV-GFCCVEGCSA-N 0 3 321.218 3.401 50 0 DGAAHN Cc1ccccc1CNC(=O)C1=CCN(Cc2ccccc2)CC1 ZINC000064817943 432010194 /nfs/dbraw/zinc/01/01/94/432010194.db2.gz WIBIYKQHHFDXTG-UHFFFAOYSA-N 0 3 320.436 3.444 50 0 DGAAHN Fc1cccc(-c2[nH]nc3c2CN(Cc2ccncc2)CC3)c1 ZINC000071711970 191010854 /nfs/dbraw/zinc/01/08/54/191010854.db2.gz ANSVGXVAHYSRBM-UHFFFAOYSA-N 0 3 308.360 3.169 50 0 DGAAHN OCc1ccc(-c2nccn2[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000071759420 191026540 /nfs/dbraw/zinc/02/65/40/191026540.db2.gz OUFWGGKNHHESJQ-MRXNPFEDSA-N 0 3 323.396 3.082 50 0 DGAAHN CN(C)CCNc1cc(-c2nccc3occc32)c2cc[nH]c2n1 ZINC000072146202 191052781 /nfs/dbraw/zinc/05/27/81/191052781.db2.gz SBVANPOJCFGIBO-UHFFFAOYSA-N 0 3 321.384 3.345 50 0 DGAAHN CC(=O)c1ccccc1-c1cc(NCCN(C)C)nc2[nH]ccc21 ZINC000072146512 191053856 /nfs/dbraw/zinc/05/38/56/191053856.db2.gz LOOMCAZCGOFOOQ-UHFFFAOYSA-N 0 3 322.412 3.406 50 0 DGAAHN CC(C)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072168077 191066227 /nfs/dbraw/zinc/06/62/27/191066227.db2.gz FPDWCYHYDWFMLX-RCCFBDPRSA-N 0 3 306.400 3.235 50 0 DGAAHN COc1ccc(Cc2nc(-c3ccccc3)c3n2CCNC3)cc1 ZINC000072233723 191078847 /nfs/dbraw/zinc/07/88/47/191078847.db2.gz SIYOHSNOUUOGHU-UHFFFAOYSA-N 0 3 319.408 3.253 50 0 DGAAHN O[C@H](CNCc1cc(Br)cs1)c1ccsc1 ZINC000164291151 186154980 /nfs/dbraw/zinc/15/49/80/186154980.db2.gz XVYUQEDITAIQSS-LLVKDONJSA-N 0 3 318.261 3.395 50 0 DGAAHN FC(F)(F)c1ncc(CN2CCC(c3ccn[nH]3)CC2)s1 ZINC000225579822 186279890 /nfs/dbraw/zinc/27/98/90/186279890.db2.gz PBBWWYOQPNCHSF-UHFFFAOYSA-N 0 3 316.352 3.265 50 0 DGAAHN CCN(c1ccc(C(=O)NC2(CN(C)C)CCC2)cc1)C(C)C ZINC000225597231 186281778 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200146059 /nfs/dbraw/zinc/14/60/59/200146059.db2.gz WBOIIXAUVGIFPI-HNNXBMFYSA-N 0 3 303.431 3.109 50 0 DGAAHN COC[C@]1(O)CCN(Cc2ccc3ccccc3c2)CC1(C)C ZINC000091452277 193058390 /nfs/dbraw/zinc/05/83/90/193058390.db2.gz WPKVGQFATMGCNA-HXUWFJFHSA-N 0 3 313.441 3.449 50 0 DGAAHN COCCC[C@@]1(CO)CCCN(Cc2cc(C)ccc2F)C1 ZINC000091326497 193041115 /nfs/dbraw/zinc/04/11/15/193041115.db2.gz IYFFTTGLVDVSFU-SFHVURJKSA-N 0 3 309.425 3.135 50 0 DGAAHN CCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1C)CC2 ZINC000091440560 193055850 /nfs/dbraw/zinc/05/58/50/193055850.db2.gz BXSUBCRFNJAGBB-UHFFFAOYSA-N 0 3 318.436 3.359 50 0 DGAAHN Cc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)o1 ZINC000091745913 193100297 /nfs/dbraw/zinc/10/02/97/193100297.db2.gz ACGLTVPYPBSFJM-ZWKOTPCHSA-N 0 3 311.429 3.079 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1cccc(OC)c1OC)C2 ZINC000091621213 193080504 /nfs/dbraw/zinc/08/05/04/193080504.db2.gz AXVWOCBLAIQVOP-DOTOQJQBSA-N 0 3 318.461 3.010 50 0 DGAAHN CCN(Cc1cc(=O)c2cc(C)ccc2[nH]1)C[C@@H]1CCCCO1 ZINC000092077601 193153460 /nfs/dbraw/zinc/15/34/60/193153460.db2.gz FCBULXAXAGXUME-INIZCTEOSA-N 0 3 314.429 3.228 50 0 DGAAHN O=C(Cc1coc2ccc3ccccc3c12)NCCN1CCCC1 ZINC000007435896 181466647 /nfs/dbraw/zinc/46/66/47/181466647.db2.gz VXMROFAEEUQEFG-UHFFFAOYSA-N 0 3 322.408 3.341 50 0 DGAAHN Cc1ccc(-c2cc(CN3CCC[C@H]3C(C)(C)O)on2)cc1 ZINC000119041451 284133186 /nfs/dbraw/zinc/13/31/86/284133186.db2.gz NIOJTVPRUHFSPD-KRWDZBQOSA-N 0 3 300.402 3.385 50 0 DGAAHN Clc1ccc2nc(CN[C@H]3COc4ccccc4C3)[nH]c2c1 ZINC000019229098 182109286 /nfs/dbraw/zinc/10/92/86/182109286.db2.gz QFDLCVHEZXJALY-CYBMUJFWSA-N 0 3 313.788 3.310 50 0 DGAAHN CCC(CC)N1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000019359011 182117614 /nfs/dbraw/zinc/11/76/14/182117614.db2.gz MRYAFXGLZPERJL-UHFFFAOYSA-N 0 3 306.450 3.010 50 0 DGAAHN COc1ccc(CN[C@@H]2COc3ccccc3C2)c(OC)c1C ZINC000019743152 182142221 /nfs/dbraw/zinc/14/22/21/182142221.db2.gz BWGFLJXQTLMTSZ-INIZCTEOSA-N 0 3 313.397 3.106 50 0 DGAAHN Clc1cccc(-c2ccc(CNCCN3CCOCC3)o2)c1 ZINC000019990573 182174391 /nfs/dbraw/zinc/17/43/91/182174391.db2.gz MHSNHJFJFKXTJQ-UHFFFAOYSA-N 0 3 320.820 3.022 50 0 DGAAHN CC(C)NC(=S)NC(=N)Nc1ccc(Cl)c(Cl)c1 ZINC000020458204 182219954 /nfs/dbraw/zinc/21/99/54/182219954.db2.gz LMGPKHNYVJMYNX-UHFFFAOYSA-N 0 3 305.234 3.213 50 0 DGAAHN OC[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000023281173 182355558 /nfs/dbraw/zinc/35/55/58/182355558.db2.gz RHKDZKIIJREWTM-IBGZPJMESA-N 0 3 311.425 3.470 50 0 DGAAHN OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 ZINC000023129911 182349800 /nfs/dbraw/zinc/34/98/00/182349800.db2.gz ZLMIRDVHICHCSB-HXUWFJFHSA-N 0 3 316.489 3.136 50 0 DGAAHN OCC[C@@H]1CN(C/C=C/c2ccccc2)CCN1C1CCCC1 ZINC000023358823 182358473 /nfs/dbraw/zinc/35/84/73/182358473.db2.gz QUOSOKINFHFVDH-AQDCRGGLSA-N 0 3 314.473 3.011 50 0 DGAAHN O=C(/C=C/c1ccco1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000040013506 183028175 /nfs/dbraw/zinc/02/81/75/183028175.db2.gz IIMQIXYBBCITAX-ZGKFYVQTSA-N 0 3 310.397 3.246 50 0 DGAAHN Cc1cc(C)cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000039400484 183018151 /nfs/dbraw/zinc/01/81/51/183018151.db2.gz MPPKHPANNQCGJP-LJQANCHMSA-N 0 3 318.505 3.218 50 0 DGAAHN CSCc1cccc(C(=O)NCCN2CCC(C)CC2)c1 ZINC000040108073 183036340 /nfs/dbraw/zinc/03/63/40/183036340.db2.gz MLSHJRMSKZJLEL-UHFFFAOYSA-N 0 3 306.475 3.011 50 0 DGAAHN CSCc1ccc(C(=O)NCCN2CCC(C)CC2)cc1 ZINC000040108057 183036475 /nfs/dbraw/zinc/03/64/75/183036475.db2.gz UHDUUSNSGNEZNE-UHFFFAOYSA-N 0 3 306.475 3.011 50 0 DGAAHN CSc1ccccc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 ZINC000040107574 183036607 /nfs/dbraw/zinc/03/66/07/183036607.db2.gz MJKYGBUBLWJEDC-ZIAGYGMSSA-N 0 3 306.475 3.116 50 0 DGAAHN c1ccc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2ccccn2)nc1 ZINC000042784424 183309049 /nfs/dbraw/zinc/30/90/49/183309049.db2.gz XMBZMHWNENRJHR-PMACEKPBSA-N 0 3 322.456 3.106 50 0 DGAAHN Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)C2CC2)CC1 ZINC000043841465 183387190 /nfs/dbraw/zinc/38/71/90/183387190.db2.gz MLWBXLBQSDBMMC-OAHLLOKOSA-N 0 3 315.461 3.057 50 0 DGAAHN COc1cccc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000105677952 194118810 /nfs/dbraw/zinc/11/88/10/194118810.db2.gz GNPPSBHLDDRRRQ-UONOGXRCSA-N 0 3 321.490 3.245 50 0 DGAAHN O=c1oc2ccccc2n1CCN1CCC[C@H]1c1ccsc1 ZINC000048364695 183651362 /nfs/dbraw/zinc/65/13/62/183651362.db2.gz KSCHEYXUUXZVAJ-AWEZNQCLSA-N 0 3 314.410 3.493 50 0 DGAAHN CN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000058029102 184069558 /nfs/dbraw/zinc/06/95/58/184069558.db2.gz RUXOXXNXNWFYGW-LJQANCHMSA-N 0 3 308.425 3.357 50 0 DGAAHN COc1c(CN[C@@H]2C[C@H]2c2ccc(F)cc2)c(C(C)C)nn1C ZINC000058421526 184115722 /nfs/dbraw/zinc/11/57/22/184115722.db2.gz LEEBKBCHHBKOQZ-GOEBONIOSA-N 0 3 317.408 3.337 50 0 DGAAHN COc1cccc([C@@H](CNc2cc(Cl)nc(C)n2)N(C)C)c1 ZINC000060340059 184146637 /nfs/dbraw/zinc/14/66/37/184146637.db2.gz QVMIONVZXJJHIL-CQSZACIVSA-N 0 3 320.824 3.162 50 0 DGAAHN Cc1ccc(NC(=O)CNC[C@H]2CCc3ccccc3O2)c(C)c1 ZINC000065507326 184357033 /nfs/dbraw/zinc/35/70/33/184357033.db2.gz QCUPWLXXHAUXEG-QGZVFWFLSA-N 0 3 324.424 3.225 50 0 DGAAHN CC[C@@H]1CN(CCOc2ccc(C)cc2OC)CCN1C(C)C ZINC000065508800 184357585 /nfs/dbraw/zinc/35/75/85/184357585.db2.gz PRCGGWSDDXOAHI-QGZVFWFLSA-N 0 3 320.477 3.187 50 0 DGAAHN COc1c(Cl)cc(Cl)cc1CNC1CCC(O)CC1 ZINC000065888295 184382159 /nfs/dbraw/zinc/38/21/59/184382159.db2.gz UPXRXPRCVXSIQN-UHFFFAOYSA-N 0 3 304.217 3.395 50 0 DGAAHN O=C1CC[C@@H](N[C@H]2CCCSc3ccc(Cl)cc32)CN1 ZINC000095968068 296326043 /nfs/dbraw/zinc/32/60/43/296326043.db2.gz IIFKTVBSKKYWEM-YPMHNXCESA-N 0 3 310.850 3.135 50 0 DGAAHN C[C@@H](NCc1cscc1Br)[C@H]1CCCOC1 ZINC000336780339 253001395 /nfs/dbraw/zinc/00/13/95/253001395.db2.gz QZXPIXSMYKUTHR-ZJUUUORDSA-N 0 3 304.253 3.415 50 0 DGAAHN C[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21)C1CCC1 ZINC000156934439 197150762 /nfs/dbraw/zinc/15/07/62/197150762.db2.gz BIDHQTVRQJGVNN-IINYFYTJSA-N 0 3 313.850 3.337 50 0 DGAAHN CC(C)c1cc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)no1 ZINC000121769582 195343233 /nfs/dbraw/zinc/34/32/33/195343233.db2.gz ORJBOPSZSAKXEI-CQSZACIVSA-N 0 3 319.449 3.325 50 0 DGAAHN CCOC(=O)[C@]1(c2ccccc2)C[C@@H](CC)C=C[C@H]1N(C)C ZINC000096028065 400274428 /nfs/dbraw/zinc/27/44/28/400274428.db2.gz WZJMDVVXTPWBRB-WDYCEAGBSA-N 0 3 301.430 3.404 50 0 DGAAHN CN(C)Cc1ccnc(NCc2cccc(-c3cnn(C)c3)c2)c1 ZINC000097231811 400284426 /nfs/dbraw/zinc/28/44/26/400284426.db2.gz DAPJOZSFERPAOU-UHFFFAOYSA-N 0 3 321.428 3.156 50 0 DGAAHN CC(C)c1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000071846724 400371006 /nfs/dbraw/zinc/37/10/06/400371006.db2.gz LDWGEEYBYIJXHP-UHFFFAOYSA-N 0 3 315.421 3.212 50 0 DGAAHN COc1cccc([C@@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC000072286217 400378118 /nfs/dbraw/zinc/37/81/18/400378118.db2.gz UYADEKAIWXWVCW-IBGZPJMESA-N 0 3 319.445 3.152 50 0 DGAAHN COc1c2c(cc3c1[C@@H](Cc1ccccc1)N(C)CC3)OCO2 ZINC000075279238 400568823 /nfs/dbraw/zinc/56/88/23/400568823.db2.gz DFIKUJZUVRWGJB-OAHLLOKOSA-N 0 3 311.381 3.196 50 0 DGAAHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1Cl ZINC000078898155 400831358 /nfs/dbraw/zinc/83/13/58/400831358.db2.gz JIYOVAYKOHNFAO-WBMJQRKESA-N 0 3 306.837 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/nfs/dbraw/zinc/18/73/35/431187335.db2.gz IXNITZKRAWJFGS-IBGZPJMESA-N 0 3 312.413 3.249 50 0 DGAAHN Cc1cnn([C@H](C)[C@H](C)NCc2c[nH]nc2-c2cccs2)c1 ZINC000069463582 431188817 /nfs/dbraw/zinc/18/88/17/431188817.db2.gz PKSOPHXPQJZRPH-QWHCGFSZSA-N 0 3 315.446 3.382 50 0 DGAAHN CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)s1 ZINC000069483665 431189983 /nfs/dbraw/zinc/18/99/83/431189983.db2.gz QYIMBRGUTYINKI-KGLIPLIRSA-N 0 3 319.474 3.109 50 0 DGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sccc1C1CC1 ZINC000069455672 431190175 /nfs/dbraw/zinc/19/01/75/431190175.db2.gz YHKWPELUJJITLL-GJZGRUSLSA-N 0 3 304.459 3.324 50 0 DGAAHN Cc1ccc2cc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)[nH]c2c1 ZINC000069490167 431193095 /nfs/dbraw/zinc/19/30/95/431193095.db2.gz HXIZDZJKZAOJEA-ROUUACIJSA-N 0 3 311.429 3.175 50 0 DGAAHN O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCCCC1 ZINC000000212413 431148208 /nfs/dbraw/zinc/14/82/08/431148208.db2.gz FYFRKLHNAOOZII-MRXNPFEDSA-N 0 3 304.409 3.050 50 0 DGAAHN COc1cc(OC)c(CNC2CCCC2)cc1Br 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50 0 DGAAHN [O-]c1ccc(CN2CCCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000067654801 432034693 /nfs/dbraw/zinc/03/46/93/432034693.db2.gz XGFYTTHSVOMOMU-UHFFFAOYSA-N 0 3 308.853 3.401 50 0 DGAAHN COc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000004745988 181146603 /nfs/dbraw/zinc/14/66/03/181146603.db2.gz SQUUOBNSBPLQNM-HZPDHXFCSA-N 0 3 316.445 3.032 50 0 DGAAHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCCC1 ZINC000004746192 181147001 /nfs/dbraw/zinc/14/70/01/181147001.db2.gz FTTZVUUWVKTDRK-MRXNPFEDSA-N 0 3 304.409 3.050 50 0 DGAAHN Cc1cc(C)nc(Nc2cccc(O[C@@]34CCN(C3)CCC4)c2)n1 ZINC000067856156 432043708 /nfs/dbraw/zinc/04/37/08/432043708.db2.gz URUWTPWCKBBTFT-IBGZPJMESA-N 0 3 324.428 3.454 50 0 DGAAHN CCc1nc(C)sc1CN[C@@H]1CCN(Cc2ccccc2)C1 ZINC000067884221 432045444 /nfs/dbraw/zinc/04/54/44/432045444.db2.gz REQZVZHONJJQCO-MRXNPFEDSA-N 0 3 315.486 3.378 50 0 DGAAHN Fc1ccccc1NC(=S)N1CCN(C2CCCCC2)CC1 ZINC000005050161 181197006 /nfs/dbraw/zinc/19/70/06/181197006.db2.gz RKLSHRCHIDLQIN-UHFFFAOYSA-N 0 3 321.465 3.473 50 0 DGAAHN C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000170626499 432074555 /nfs/dbraw/zinc/07/45/55/432074555.db2.gz QIMXVAQVVXWPFY-BZUAXINKSA-N 0 3 309.498 3.375 50 0 DGAAHN CNCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC ZINC000237279548 202215238 /nfs/dbraw/zinc/21/52/38/202215238.db2.gz ICCBSOZDLNQYAB-UHFFFAOYSA-N 0 3 318.348 3.093 50 0 DGAAHN C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000005920636 181296237 /nfs/dbraw/zinc/29/62/37/181296237.db2.gz IUTJVXMQOKJXEE-CJNGLKHVSA-N 0 3 305.805 3.431 50 0 DGAAHN C/C(=C/C(=O)Nc1ccccc1NC1CCN(C)CC1)C1CC1 ZINC000089262096 192752860 /nfs/dbraw/zinc/75/28/60/192752860.db2.gz MCJMBITZRXWRTR-YPKPFQOOSA-N 0 3 313.445 3.488 50 0 DGAAHN C[C@H](CN1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000187352303 200099661 /nfs/dbraw/zinc/09/96/61/200099661.db2.gz UEJPCSIBTXKEOM-OAHLLOKOSA-N 0 3 322.880 3.240 50 0 DGAAHN CSc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000195532196 201399978 /nfs/dbraw/zinc/39/99/78/201399978.db2.gz UVDFUFITNHTWAM-OLZOCXBDSA-N 0 3 323.437 3.248 50 0 DGAAHN Cc1cncc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000189883477 432099984 /nfs/dbraw/zinc/09/99/84/432099984.db2.gz OGXVMJNUUBDDBI-LJQANCHMSA-N 0 3 314.404 3.475 50 0 DGAAHN O=C(CN1CCCCCCC1)N[C@@H]1CCCc2ccccc21 ZINC000006561429 181355269 /nfs/dbraw/zinc/35/52/69/181355269.db2.gz NUPMJULIWCEUQU-GOSISDBHSA-N 0 3 300.446 3.446 50 0 DGAAHN O=C(C1CC1)N1CCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000058316205 283749912 /nfs/dbraw/zinc/74/99/12/283749912.db2.gz RQAHUZYXGBSDKK-IBGZPJMESA-N 0 3 312.457 3.300 50 0 DGAAHN COC(=O)c1cc(CNCc2ccc(Cl)cc2)ccc1OC ZINC000006602069 181360150 /nfs/dbraw/zinc/36/01/50/181360150.db2.gz ZWTFNZIMWGOYEC-UHFFFAOYSA-N 0 3 319.788 3.425 50 0 DGAAHN O=C(Nc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000006698755 181372275 /nfs/dbraw/zinc/37/22/75/181372275.db2.gz INFLPCIBZDMGJA-UHFFFAOYSA-N 0 3 305.397 3.308 50 0 DGAAHN CCOC(=O)C1CCN(CCCCOc2ccc(C)cc2)CC1 ZINC000006703675 181374593 /nfs/dbraw/zinc/37/45/93/181374593.db2.gz IWSNSJFFFLYSBN-UHFFFAOYSA-N 0 3 319.445 3.429 50 0 DGAAHN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCCCCN1C ZINC000091365255 193046320 /nfs/dbraw/zinc/04/63/20/193046320.db2.gz LIKAQAPJKYQEPZ-QGZVFWFLSA-N 0 3 317.408 3.140 50 0 DGAAHN COC[C@]1(O)CCN(Cc2ccccc2SC)CC1(C)C ZINC000091650096 193084812 /nfs/dbraw/zinc/08/48/12/193084812.db2.gz ZPEHRQGBGOKMDZ-QGZVFWFLSA-N 0 3 309.475 3.018 50 0 DGAAHN CSc1cccc(CN(C)C(=O)[C@@H]2CCCCCN2C)c1 ZINC000091664744 193086988 /nfs/dbraw/zinc/08/69/88/193086988.db2.gz NLLOVTFZVJDWTC-INIZCTEOSA-N 0 3 306.475 3.241 50 0 DGAAHN CCC[C@@]1(CO)CCCN(Cc2cnc(N3CCCC3)s2)C1 ZINC000091859182 193118791 /nfs/dbraw/zinc/11/87/91/193118791.db2.gz PPADWOOZZCYSOS-QGZVFWFLSA-N 0 3 323.506 3.118 50 0 DGAAHN CN(C)C[C@@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000135351729 432114218 /nfs/dbraw/zinc/11/42/18/432114218.db2.gz TZGUJCRWMUILHO-IBGZPJMESA-N 0 3 323.440 3.305 50 0 DGAAHN NC(=O)C[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000093808496 193310738 /nfs/dbraw/zinc/31/07/38/193310738.db2.gz OXGIQEYQSYPNBD-HNNXBMFYSA-N 0 3 316.445 3.095 50 0 DGAAHN CCN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000016604358 182052564 /nfs/dbraw/zinc/05/25/64/182052564.db2.gz DMSMOHGTFXOIBZ-GFCCVEGCSA-N 0 3 306.475 3.087 50 0 DGAAHN Cc1cc(C)c2c(CN(C)C[C@H]3COCCO3)cc(C)nc2c1 ZINC000019228796 182108984 /nfs/dbraw/zinc/10/89/84/182108984.db2.gz OZHZBMUAPNWEOW-KRWDZBQOSA-N 0 3 314.429 3.007 50 0 DGAAHN CC[C@H](C)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000019362923 182119138 /nfs/dbraw/zinc/11/91/38/182119138.db2.gz PMYTXVXDWDWUTO-ZDUSSCGKSA-N 0 3 311.267 3.365 50 0 DGAAHN COc1ccc(CNCCc2ccccc2F)c(OC)c1C ZINC000019582608 182131965 /nfs/dbraw/zinc/13/19/65/182131965.db2.gz WUEUITYGIMFDKP-UHFFFAOYSA-N 0 3 303.377 3.484 50 0 DGAAHN Cc1ccc(C(C)(C)C)c(OCCCN2CCN(C)CC2)c1 ZINC000020118189 182189536 /nfs/dbraw/zinc/18/95/36/182189536.db2.gz RNUFDXSZKSLASH-UHFFFAOYSA-N 0 3 304.478 3.309 50 0 DGAAHN Cc1ccn(CCN2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000020254566 182200212 /nfs/dbraw/zinc/20/02/12/182200212.db2.gz UFXGFASUQXEGCW-UHFFFAOYSA-N 0 3 319.836 3.388 50 0 DGAAHN O=C(CCCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000020472580 182221899 /nfs/dbraw/zinc/22/18/99/182221899.db2.gz DYCKZIOBENGQCS-UHFFFAOYSA-N 0 3 314.473 3.486 50 0 DGAAHN CN1CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000020639763 182240504 /nfs/dbraw/zinc/24/05/04/182240504.db2.gz USUGCRJQJJHDFJ-UHFFFAOYSA-N 0 3 316.367 3.112 50 0 DGAAHN CCCc1ccc(OCCCCN2CCN(C)CC2)c(OC)c1 ZINC000020652724 182241855 /nfs/dbraw/zinc/24/18/55/182241855.db2.gz QAUKVDZPKFKJKO-UHFFFAOYSA-N 0 3 320.477 3.054 50 0 DGAAHN CC(=O)c1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020653356 182242026 /nfs/dbraw/zinc/24/20/26/182242026.db2.gz RWDDDQNNVPKZQX-GJZGRUSLSA-N 0 3 305.418 3.157 50 0 DGAAHN C[C@@H](C(=O)NCc1ccccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000021670771 182283203 /nfs/dbraw/zinc/28/32/03/182283203.db2.gz VLZHKZHVGVXWQY-MJBXVCDLSA-N 0 3 308.853 3.323 50 0 DGAAHN CCN(CC)[C@H](CNC(=O)c1ccoc1)c1cccc(OC)c1 ZINC000023076422 182347056 /nfs/dbraw/zinc/34/70/56/182347056.db2.gz ZTHADPXTQIYDML-QGZVFWFLSA-N 0 3 316.401 3.101 50 0 DGAAHN OCC[C@H]1CN(C2CCCCC2)CCN1Cc1ccc(F)cc1 ZINC000023360808 182358564 /nfs/dbraw/zinc/35/85/64/182358564.db2.gz SHGPNRRTUNCQBF-IBGZPJMESA-N 0 3 320.452 3.027 50 0 DGAAHN C[C@H](OCc1ccccc1)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000030861802 182600199 /nfs/dbraw/zinc/60/01/99/182600199.db2.gz IRQHSWRXHFMUDT-HNNXBMFYSA-N 0 3 312.413 3.292 50 0 DGAAHN COC(=O)c1ccc(OCCN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000040154532 183040786 /nfs/dbraw/zinc/04/07/86/183040786.db2.gz GQKAIRXYKJDTQO-QGZVFWFLSA-N 0 3 314.385 3.017 50 0 DGAAHN O=C(NC1CCCCC1)NC1CCN(Cc2cccs2)CC1 ZINC000057530832 184041510 /nfs/dbraw/zinc/04/15/10/184041510.db2.gz PYCFGWWBFHSNRD-UHFFFAOYSA-N 0 3 321.490 3.344 50 0 DGAAHN O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000058203327 184087428 /nfs/dbraw/zinc/08/74/28/184087428.db2.gz OMSGXFAXDSMBIV-JTQLQIEISA-N 0 3 313.323 3.064 50 0 DGAAHN O[C@@H](CNCc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000058154545 184081330 /nfs/dbraw/zinc/08/13/30/184081330.db2.gz MVFAKAGBPPRHMR-AWEZNQCLSA-N 0 3 311.303 3.408 50 0 DGAAHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C1CCCC1 ZINC000058343951 184107228 /nfs/dbraw/zinc/10/72/28/184107228.db2.gz YRPUNRRKEFBWJA-AWEZNQCLSA-N 0 3 306.475 3.267 50 0 DGAAHN CCN(CC)Cc1ccccc1NC(=O)NCC[C@@H]1CCCO1 ZINC000058393665 184112661 /nfs/dbraw/zinc/11/26/61/184112661.db2.gz ZLDRTXRSZIVJPA-INIZCTEOSA-N 0 3 319.449 3.219 50 0 DGAAHN CC(=O)c1cccc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000058413173 184114828 /nfs/dbraw/zinc/11/48/28/184114828.db2.gz NCPNKSWICAWHOE-UHFFFAOYSA-N 0 3 317.433 3.227 50 0 DGAAHN Cc1cccc(NC(=O)CN(C)CCN2CCCCCC2)c1C ZINC000065384499 184333527 /nfs/dbraw/zinc/33/35/27/184333527.db2.gz HBGUQPCCUKLPKJ-UHFFFAOYSA-N 0 3 317.477 3.050 50 0 DGAAHN CCc1nccn1CCc1nc(C(C)C)nn1-c1ccncc1C ZINC000065394049 184334486 /nfs/dbraw/zinc/33/44/86/184334486.db2.gz XIFWOFZEGDTZRU-UHFFFAOYSA-N 0 3 324.432 3.096 50 0 DGAAHN Cn1cccc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000065287321 184322710 /nfs/dbraw/zinc/32/27/10/184322710.db2.gz MRHRTLTTYTUMFO-UHFFFAOYSA-N 0 3 321.428 3.190 50 0 DGAAHN CCOC(=O)[C@H]1CCCN(Cc2cnoc2-c2ccccc2)C1 ZINC000065288889 184323201 /nfs/dbraw/zinc/32/32/01/184323201.db2.gz OVDDMOHZQUSKKQ-HNNXBMFYSA-N 0 3 314.385 3.117 50 0 DGAAHN CCCCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)CCC ZINC000065412871 184340450 /nfs/dbraw/zinc/34/04/50/184340450.db2.gz AGTFUBGOMQOLIJ-CYBMUJFWSA-N 0 3 319.453 3.250 50 0 DGAAHN CCCCC[N@H+](Cc1nc2c(cnn2C)c(=O)[n-]1)[C@H](C)CCC ZINC000065412871 184340451 /nfs/dbraw/zinc/34/04/51/184340451.db2.gz AGTFUBGOMQOLIJ-CYBMUJFWSA-N 0 3 319.453 3.250 50 0 DGAAHN CCCCC[N@@H+](Cc1nc2c(cnn2C)c(=O)[n-]1)[C@H](C)CCC ZINC000065412871 184340453 /nfs/dbraw/zinc/34/04/53/184340453.db2.gz AGTFUBGOMQOLIJ-CYBMUJFWSA-N 0 3 319.453 3.250 50 0 DGAAHN CCCCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)CCC ZINC000065412869 184340583 /nfs/dbraw/zinc/34/05/83/184340583.db2.gz AGTFUBGOMQOLIJ-ZDUSSCGKSA-N 0 3 319.453 3.250 50 0 DGAAHN CCCCC[N@H+](Cc1nc2c(cnn2C)c(=O)[n-]1)[C@@H](C)CCC ZINC000065412869 184340584 /nfs/dbraw/zinc/34/05/84/184340584.db2.gz AGTFUBGOMQOLIJ-ZDUSSCGKSA-N 0 3 319.453 3.250 50 0 DGAAHN CCCCC[N@@H+](Cc1nc2c(cnn2C)c(=O)[n-]1)[C@@H](C)CCC ZINC000065412869 184340586 /nfs/dbraw/zinc/34/05/86/184340586.db2.gz AGTFUBGOMQOLIJ-ZDUSSCGKSA-N 0 3 319.453 3.250 50 0 DGAAHN COc1cccc([C@@H]2CCN(Cc3sccc3C)C[C@H]2O)c1 ZINC000065398075 184336111 /nfs/dbraw/zinc/33/61/11/184336111.db2.gz CSGXZDBWBCKKEC-DLBZAZTESA-N 0 3 317.454 3.416 50 0 DGAAHN COCCN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000055504856 285008910 /nfs/dbraw/zinc/00/89/10/285008910.db2.gz BWRNTYPAPOLKHM-CQSZACIVSA-N 0 3 317.429 3.293 50 0 DGAAHN O=C1c2ccccc2[C@@]2(Br)C(=O)c3ccccc3C12 ZINC000001618048 285025788 /nfs/dbraw/zinc/02/57/88/285025788.db2.gz ZUDDQEGWGGRBFB-CJNGLKHVSA-N 0 3 313.150 3.453 50 0 DGAAHN CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000159199679 197335197 /nfs/dbraw/zinc/33/51/97/197335197.db2.gz OPFSCEAGPCDHTE-KRWDZBQOSA-N 0 3 320.477 3.099 50 0 DGAAHN COC[C@@H](NC1CCN(c2ccccc2)CC1)c1ccco1 ZINC000156645882 197130534 /nfs/dbraw/zinc/13/05/34/197130534.db2.gz CHEBQBGUCUUXJQ-QGZVFWFLSA-N 0 3 300.402 3.226 50 0 DGAAHN CC1(C)Cc2cc(CN3CCC[C@@]4(CCOC4)C3)ccc2O1 ZINC000095380279 257271887 /nfs/dbraw/zinc/27/18/87/257271887.db2.gz GTQFEGYZBWXYED-LJQANCHMSA-N 0 3 301.430 3.403 50 0 DGAAHN O[C@H](CN1CCC(Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000371442216 257235959 /nfs/dbraw/zinc/23/59/59/257235959.db2.gz HAJLCBJUFYXOOU-LJQANCHMSA-N 0 3 314.404 3.209 50 0 DGAAHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl ZINC000095422825 257253441 /nfs/dbraw/zinc/25/34/41/257253441.db2.gz NVMCDAQICBYVJN-ZJUUUORDSA-N 0 3 301.217 3.265 50 0 DGAAHN CN1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000020220071 257269008 /nfs/dbraw/zinc/26/90/08/257269008.db2.gz IDOPXQOPPVYJTP-UHFFFAOYSA-N 0 3 322.452 3.419 50 0 DGAAHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)/C=C(/C)C1CC1 ZINC000066726999 400113019 /nfs/dbraw/zinc/11/30/19/400113019.db2.gz WOGUHXYSPUZWAM-QINSGFPZSA-N 0 3 300.446 3.453 50 0 DGAAHN CNC(=O)Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cs1 ZINC000072309159 400381326 /nfs/dbraw/zinc/38/13/26/400381326.db2.gz VWBDLMMUWLIOSM-KBPBESRZSA-N 0 3 323.506 3.126 50 0 DGAAHN C[C@H](NC1CC(c2ccccc2F)C1)C(=O)N1CCCCC1 ZINC000127429223 400502402 /nfs/dbraw/zinc/50/24/02/400502402.db2.gz UZWDLOYSJDQKBZ-NFOMZHRRSA-N 0 3 304.409 3.062 50 0 DGAAHN COc1c2c(cc3c1[C@H](Cc1ccccc1)N(C)CC3)OCO2 ZINC000075279236 400568887 /nfs/dbraw/zinc/56/88/87/400568887.db2.gz DFIKUJZUVRWGJB-HNNXBMFYSA-N 0 3 311.381 3.196 50 0 DGAAHN CC(=O)N1CCC([C@@H]2CCN(Cc3cc(F)ccc3F)C2)CC1 ZINC000169783903 400761432 /nfs/dbraw/zinc/76/14/32/400761432.db2.gz DTPUPFHIYTWCQC-OAHLLOKOSA-N 0 3 322.399 3.045 50 0 DGAAHN CCNC(=O)N1CCCCC[C@@H]1CN1CCc2ccccc2C1 ZINC000169775144 400761488 /nfs/dbraw/zinc/76/14/88/400761488.db2.gz TVPUDEYZARNCNA-GOSISDBHSA-N 0 3 315.461 3.019 50 0 DGAAHN O=C1CCCCN1CCCCNCc1ccc(F)c(Cl)c1 ZINC000170692910 400769585 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ZINC000069368894 286452282 /nfs/dbraw/zinc/45/22/82/286452282.db2.gz RCSSSUHYGBSBJY-LSDHHAIUSA-N 0 3 317.433 3.418 50 0 DGAAHN C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C ZINC000096493201 287054622 /nfs/dbraw/zinc/05/46/22/287054622.db2.gz SWFNMBMPDDAPNT-QMTHXVAHSA-N 0 3 314.351 3.223 50 0 DGAAHN COc1ccc2c(c1)CCC[C@H]2CNCc1cccc(OC)n1 ZINC000191607509 165261546 /nfs/dbraw/zinc/26/15/46/165261546.db2.gz SYYFESGBCXOSAB-HNNXBMFYSA-N 0 3 312.413 3.309 50 0 DGAAHN Fc1cnc(NCC2CCN(Cc3cccs3)CC2)nc1 ZINC000269452863 432175188 /nfs/dbraw/zinc/17/51/88/432175188.db2.gz DYKZPVWWLMNEDA-UHFFFAOYSA-N 0 3 306.410 3.001 50 0 DGAAHN OC1CC(CCNCc2ccc(Sc3ccccn3)o2)C1 ZINC000353218789 265348412 /nfs/dbraw/zinc/34/84/12/265348412.db2.gz KNQKGXNLCRWKOO-UHFFFAOYSA-N 0 3 304.415 3.076 50 0 DGAAHN CCOCCN1CCN([C@H](C)CCc2ccccc2)C[C@@H]1C ZINC000108348149 431133559 /nfs/dbraw/zinc/13/35/59/431133559.db2.gz GZSUCVASCKHUNC-MSOLQXFVSA-N 0 3 304.478 3.050 50 0 DGAAHN CN1CCN(c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000000163647 431135692 /nfs/dbraw/zinc/13/56/92/431135692.db2.gz DBDJNROBPJKNNI-UHFFFAOYSA-N 0 3 304.397 3.049 50 0 DGAAHN CC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000109033192 431164823 /nfs/dbraw/zinc/16/48/23/431164823.db2.gz VRFZBJIQPMQNMG-UONOGXRCSA-N 0 3 317.433 3.274 50 0 DGAAHN CN1C[C@]2(C)CN(C(=S)Nc3ccccc3)C[C@](C)(C1)C2 ZINC000000346323 431168775 /nfs/dbraw/zinc/16/87/75/431168775.db2.gz RHDRZTNIKIGIQY-CALCHBBNSA-N 0 3 303.475 3.047 50 0 DGAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000000238440 431149525 /nfs/dbraw/zinc/14/95/25/431149525.db2.gz ZZCGZFNNNWWBHU-OAHLLOKOSA-N 0 3 308.853 3.420 50 0 DGAAHN CN1CCC(C2(O)c3ccccc3CCc3ccccc32)CC1 ZINC000000974428 431210948 /nfs/dbraw/zinc/21/09/48/431210948.db2.gz QDKMXGVBRPWKII-UHFFFAOYSA-N 0 3 307.437 3.363 50 0 DGAAHN Cc1nc2ccccc2nc1CN1CCCC[C@H]1Cn1cccn1 ZINC000069920239 431231905 /nfs/dbraw/zinc/23/19/05/431231905.db2.gz GWWNMIGKNQWMCL-INIZCTEOSA-N 0 3 321.428 3.189 50 0 DGAAHN CCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000069921445 431233280 /nfs/dbraw/zinc/23/32/80/431233280.db2.gz XNAYDKDODNEZCK-LBPRGKRZSA-N 0 3 311.385 3.106 50 0 DGAAHN CCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000001628523 431233936 /nfs/dbraw/zinc/23/39/36/431233936.db2.gz HGHSAQKKTCGYPM-QUCCMNQESA-N 0 3 309.409 3.099 50 0 DGAAHN Cc1cccc(C2(C(=O)N(C)C3CCN(C)CC3)CCCC2)c1 ZINC000069979091 431237001 /nfs/dbraw/zinc/23/70/01/431237001.db2.gz YTAXKZKBAHYPTR-UHFFFAOYSA-N 0 3 314.473 3.359 50 0 DGAAHN COc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000002000702 431240515 /nfs/dbraw/zinc/24/05/15/431240515.db2.gz GOMGPNJCLGRCDY-UHFFFAOYSA-N 0 3 324.424 3.090 50 0 DGAAHN CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1 ZINC000071853409 431298865 /nfs/dbraw/zinc/29/88/65/431298865.db2.gz GCYCIGBMJUYXSB-LSDHHAIUSA-N 0 3 306.475 3.103 50 0 DGAAHN CCOCCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000071909303 431313198 /nfs/dbraw/zinc/31/31/98/431313198.db2.gz WWHZIDZZEVRKEK-INIZCTEOSA-N 0 3 318.461 3.145 50 0 DGAAHN CN(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000002645141 431260123 /nfs/dbraw/zinc/26/01/23/431260123.db2.gz PLCOWYWDBBRCQR-QGZVFWFLSA-N 0 3 316.832 3.302 50 0 DGAAHN O=C(Nc1ccccc1F)N1CCN(C2CCCCC2)CC1 ZINC000006742420 431318200 /nfs/dbraw/zinc/31/82/00/431318200.db2.gz HAVGPDUNASHCHX-UHFFFAOYSA-N 0 3 305.397 3.308 50 0 DGAAHN CN1CCC([C@](O)(c2ccccc2)c2cccc(Cl)n2)CC1 ZINC000006638593 431319842 /nfs/dbraw/zinc/31/98/42/431319842.db2.gz LMPGJYLFIUIRRY-GOSISDBHSA-N 0 3 316.832 3.313 50 0 DGAAHN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000007984437 431372741 /nfs/dbraw/zinc/37/27/41/431372741.db2.gz MKLMIDYWXKRXGJ-ZDUSSCGKSA-N 0 3 309.417 3.073 50 0 DGAAHN CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC000074120326 431400233 /nfs/dbraw/zinc/40/02/33/431400233.db2.gz SOAXGBJOVPNHGL-HZPDHXFCSA-N 0 3 306.475 3.104 50 0 DGAAHN C[C@@H](O)CNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474589 431464046 /nfs/dbraw/zinc/46/40/46/431464046.db2.gz 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/nfs/dbraw/zinc/87/37/93/431873793.db2.gz SFBHCNXJASMJBC-GOSISDBHSA-N 0 3 312.413 3.192 50 0 DGAAHN COc1ccc(CCNCc2ccc(Br)o2)cc1 ZINC000034863245 431821877 /nfs/dbraw/zinc/82/18/77/431821877.db2.gz QRTCWUVDEUWKCU-UHFFFAOYSA-N 0 3 310.191 3.383 50 0 DGAAHN Cc1ccc2c(c1)[C@@H](NC[C@H]1COC3(CCCC3)O1)CCCO2 ZINC000095459721 431926084 /nfs/dbraw/zinc/92/60/84/431926084.db2.gz OUSOHJLNENTHGC-RDJZCZTQSA-N 0 3 317.429 3.484 50 0 DGAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1cn2ccccc2n1 ZINC000047452205 431910156 /nfs/dbraw/zinc/91/01/56/431910156.db2.gz OUEJQOSREJEUOJ-UHFFFAOYSA-N 0 3 320.396 3.182 50 0 DGAAHN CC(C)(CNC(=O)c1cccc2cccnc21)N1CCCCC1 ZINC000047531503 431911569 /nfs/dbraw/zinc/91/15/69/431911569.db2.gz ICZIXFQLCJOJFD-UHFFFAOYSA-N 0 3 311.429 3.229 50 0 DGAAHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000048045871 431918453 /nfs/dbraw/zinc/91/84/53/431918453.db2.gz PBMNSNUBQSBXFP-OAHLLOKOSA-N 0 3 318.436 3.296 50 0 DGAAHN c1coc([C@H](CNc2ncnc3ccccc32)N2CCCC2)c1 ZINC000048332319 431923603 /nfs/dbraw/zinc/92/36/03/431923603.db2.gz RMLPUDJOKHWMBS-INIZCTEOSA-N 0 3 308.385 3.472 50 0 DGAAHN Cc1csc2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cc(=O)n12 ZINC000045314701 431884186 /nfs/dbraw/zinc/88/41/86/431884186.db2.gz KTDWIPQUQCBFTJ-UONOGXRCSA-N 0 3 317.458 3.077 50 0 DGAAHN C[C@H](Cc1ccccc1Br)NCc1ccc(CO)o1 ZINC000089904215 431884867 /nfs/dbraw/zinc/88/48/67/431884867.db2.gz BULIHIRKYJVQPS-LLVKDONJSA-N 0 3 324.218 3.255 50 0 DGAAHN C[C@@H]1C[C@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 ZINC000089920325 431885275 /nfs/dbraw/zinc/88/52/75/431885275.db2.gz JRDBICHPJLHHPH-OCCSQVGLSA-N 0 3 314.351 3.108 50 0 DGAAHN O=C(c1cccc(F)c1)N1CCN(CC2CCCCC2)CC1 ZINC000045782015 431889560 /nfs/dbraw/zinc/88/95/60/431889560.db2.gz UYNYFISWCANLSE-UHFFFAOYSA-N 0 3 304.409 3.164 50 0 DGAAHN CNC(=O)[C@H]1CCCCN1CC(c1ccccc1)c1ccccc1 ZINC000097785620 431974963 /nfs/dbraw/zinc/97/49/63/431974963.db2.gz RBMZILLJPPXTGG-HXUWFJFHSA-N 0 3 322.452 3.419 50 0 DGAAHN CCS[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C)s1 ZINC000055168667 431977495 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AIUKTBWKDGFJEP-KVULBXGLSA-N 0 3 320.408 3.076 50 0 DGAAHN O=C(NCCN1CCCC1)C1c2ccccc2Oc2ccccc21 ZINC000000099861 431124329 /nfs/dbraw/zinc/12/43/29/431124329.db2.gz WWQGKJGFWMZFOF-UHFFFAOYSA-N 0 3 322.408 3.136 50 0 DGAAHN C[C@H](NC(C)(C)CNC(=O)CC(F)(F)F)c1ccccc1 ZINC000068385583 431125441 /nfs/dbraw/zinc/12/54/41/431125441.db2.gz UHQYSKSNADDUPF-NSHDSACASA-N 0 3 302.340 3.184 50 0 DGAAHN CCOC(=O)c1cnc2ccc(Cl)cc2c1NCCN(C)C ZINC000000132706 431131206 /nfs/dbraw/zinc/13/12/06/431131206.db2.gz VMBOCMMBCXYKOC-UHFFFAOYSA-N 0 3 321.808 3.038 50 0 DGAAHN C[C@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O ZINC000090518245 279267402 /nfs/dbraw/zinc/26/74/02/279267402.db2.gz RBUMWEATONXZAT-MFLXSWDHSA-N 0 3 307.459 3.180 50 0 DGAAHN O=C1CS[C@@H](c2ccc(Cl)cc2)N1CCN1CCCCC1 ZINC000000182325 431141662 /nfs/dbraw/zinc/14/16/62/431141662.db2.gz NSTHRLYHVLODBU-INIZCTEOSA-N 0 3 324.877 3.400 50 0 DGAAHN CCN(CCO)Cc1csc2c1cccc2Br ZINC000000338987 431169177 /nfs/dbraw/zinc/16/91/77/431169177.db2.gz JPGYWEDVFQHAFR-UHFFFAOYSA-N 0 3 314.248 3.478 50 0 DGAAHN CC(=O)N1CCCN([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000069349370 431177142 /nfs/dbraw/zinc/17/71/42/431177142.db2.gz OGKZMSVMFILYEB-GFCCVEGCSA-N 0 3 314.351 3.321 50 0 DGAAHN O[C@@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000069351869 431179293 /nfs/dbraw/zinc/17/92/93/431179293.db2.gz SXUOFRFIQASDJV-FQEVSTJZSA-N 0 3 311.425 3.401 50 0 DGAAHN CCOc1cccc(CN[C@H](C)[C@@H](C)n2cccn2)c1OC ZINC000069368518 431179523 /nfs/dbraw/zinc/17/95/23/431179523.db2.gz VBFGZUZHPRQBSI-ZIAGYGMSSA-N 0 3 303.406 3.030 50 0 DGAAHN COc1cccc(CN[C@@H](C)[C@H](C)n2cccn2)c1OC(C)C ZINC000069368902 431181253 /nfs/dbraw/zinc/18/12/53/431181253.db2.gz RCSSSUHYGBSBJY-GJZGRUSLSA-N 0 3 317.433 3.418 50 0 DGAAHN C[C@@H](CCc1ccccc1)CC(=O)N(C)C1CCN(C)CC1 ZINC000069420612 431187209 /nfs/dbraw/zinc/18/72/09/431187209.db2.gz RRSJELXAZVCGII-INIZCTEOSA-N 0 3 302.462 3.198 50 0 DGAAHN COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000069487985 431190270 /nfs/dbraw/zinc/19/02/70/431190270.db2.gz KBOMCWCBVDKYSY-QZTJIDSGSA-N 0 3 324.424 3.499 50 0 DGAAHN c1nc2n(n1)C[C@@H](NCc1cccc(-c3ccccc3)c1)CC2 ZINC000069493261 431193001 /nfs/dbraw/zinc/19/30/01/431193001.db2.gz PEUVUDCMUTZQIR-SFHVURJKSA-N 0 3 304.397 3.050 50 0 DGAAHN c1nc2n(n1)C[C@@H](NCc1cc(-c3ccccc3)cs1)CC2 ZINC000069491548 431193527 /nfs/dbraw/zinc/19/35/27/431193527.db2.gz QYVIFOHDTMKHFZ-HNNXBMFYSA-N 0 3 310.426 3.111 50 0 DGAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 ZINC000069512780 431193892 /nfs/dbraw/zinc/19/38/92/431193892.db2.gz MPKNRTYWZPEPOM-CHWSQXEVSA-N 0 3 321.490 3.139 50 0 DGAAHN O=C(NCCN1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000000523644 431196765 /nfs/dbraw/zinc/19/67/65/431196765.db2.gz AULRAAKNJYYTLO-UHFFFAOYSA-N 0 3 308.425 3.031 50 0 DGAAHN O=C(CCN1CCC[C@@H]1c1ccc[nH]1)N1CCc2ccccc21 ZINC000069557313 431200255 /nfs/dbraw/zinc/20/02/55/431200255.db2.gz VMWXNPNFIYURHS-GOSISDBHSA-N 0 3 309.413 3.131 50 0 DGAAHN C[C@@H](CN1CCCC1)OC(=O)c1ccccc1Br ZINC000000210675 431146572 /nfs/dbraw/zinc/14/65/72/431146572.db2.gz ZBHILYLZZIRLAD-NSHDSACASA-N 0 3 312.207 3.090 50 0 DGAAHN C[C@H](CN1CCCC1)OC(=O)c1cccc(Br)c1 ZINC000000210685 431148100 /nfs/dbraw/zinc/14/81/00/431148100.db2.gz HJOOJWKRWJMXAK-LLVKDONJSA-N 0 3 312.207 3.090 50 0 DGAAHN O=C(c1ccccc1F)N1CCN(C2CCCCCC2)CC1 ZINC000000239146 431150593 /nfs/dbraw/zinc/15/05/93/431150593.db2.gz ROOJYESJHAPVLX-UHFFFAOYSA-N 0 3 304.409 3.306 50 0 DGAAHN C[C@@H](c1ccncc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000069847208 431230199 /nfs/dbraw/zinc/23/01/99/431230199.db2.gz JEEXKXGUBKZAFD-RDJZCZTQSA-N 0 3 309.413 3.493 50 0 DGAAHN CCOCCCNCc1cc(Br)ccc1OCC ZINC000002178138 431245839 /nfs/dbraw/zinc/24/58/39/431245839.db2.gz XWXAWMHUHFJSKT-UHFFFAOYSA-N 0 3 316.239 3.364 50 0 DGAAHN CCN(CC)CC(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071415791 431278172 /nfs/dbraw/zinc/27/81/72/431278172.db2.gz RCEIFEVKZRYMEV-MRXNPFEDSA-N 0 3 320.452 3.339 50 0 DGAAHN CN1CCC[C@@H](CSc2nncn2CCc2cccs2)C1 ZINC000071804191 431288979 /nfs/dbraw/zinc/28/89/79/431288979.db2.gz DTBRNZNZJWSIFZ-CYBMUJFWSA-N 0 3 322.503 3.016 50 0 DGAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 ZINC000004123056 431298554 /nfs/dbraw/zinc/29/85/54/431298554.db2.gz WYPLBWQZAVGLHZ-UHFFFAOYSA-N 0 3 323.440 3.389 50 0 DGAAHN CCN(Cc1ccoc1)C(=O)NC1CCN(CC=C(C)C)CC1 ZINC000071885986 431308606 /nfs/dbraw/zinc/30/86/06/431308606.db2.gz SYRKIZYWKOTNTR-UHFFFAOYSA-N 0 3 319.449 3.242 50 0 DGAAHN Cc1csc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000070928354 431266362 /nfs/dbraw/zinc/26/63/62/431266362.db2.gz JFOALQUBNIQOMG-UHFFFAOYSA-N 0 3 315.442 3.098 50 0 DGAAHN CCN(Cc1ccccc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000007437457 431351466 /nfs/dbraw/zinc/35/14/66/431351466.db2.gz VJKDNYFOIMJIML-UHFFFAOYSA-N 0 3 307.397 3.025 50 0 DGAAHN CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCC1 ZINC000073666414 431377606 /nfs/dbraw/zinc/37/76/06/431377606.db2.gz FOICBRWNSWFZHX-QGZVFWFLSA-N 0 3 301.434 3.017 50 0 DGAAHN CC[C@H](CO)NCc1cccc(OCc2ccccc2F)c1 ZINC000008337116 431392793 /nfs/dbraw/zinc/39/27/93/431392793.db2.gz LLYQGHJMQQQHFU-MRXNPFEDSA-N 0 3 303.377 3.265 50 0 DGAAHN CN(C)CCN(Cc1cccs1)C(=O)CCc1ccccc1 ZINC000075108249 431454884 /nfs/dbraw/zinc/45/48/84/431454884.db2.gz KCJWPHSTECTMPI-UHFFFAOYSA-N 0 3 316.470 3.271 50 0 DGAAHN CC1(C)CN(CCCOc2ccc3c(c2)OCO3)CCS1 ZINC000075107719 431455434 /nfs/dbraw/zinc/45/54/34/431455434.db2.gz ABRIIYWUZSKICS-UHFFFAOYSA-N 0 3 309.431 3.012 50 0 DGAAHN Cc1ccc([C@H](CNC(=O)CCc2ccccc2)N(C)C)cc1 ZINC000010328883 431459632 /nfs/dbraw/zinc/45/96/32/431459632.db2.gz XCUHXEPOIOKXQP-IBGZPJMESA-N 0 3 310.441 3.347 50 0 DGAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cccs1 ZINC000012593554 431520498 /nfs/dbraw/zinc/52/04/98/431520498.db2.gz OMPPTOMQPFZOON-INIZCTEOSA-N 0 3 314.454 3.390 50 0 DGAAHN COc1ccc(C(=O)[C@H]2CCCN(C3CCC3)C2)c(OC)c1 ZINC000012704323 431523391 /nfs/dbraw/zinc/52/33/91/431523391.db2.gz MKNOOJFMMRTJJM-ZDUSSCGKSA-N 0 3 303.402 3.151 50 0 DGAAHN CCc1ccc(CN2CCC(CCC(=O)NC3CC3)CC2)o1 ZINC000011952719 431486802 /nfs/dbraw/zinc/48/68/02/431486802.db2.gz GFLXCEQJWYQVCI-UHFFFAOYSA-N 0 3 304.434 3.113 50 0 DGAAHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)c2ccccc2)C1 ZINC000012328105 431500058 /nfs/dbraw/zinc/50/00/58/431500058.db2.gz MNAUZBASDLSNEB-HKUYNNGSSA-N 0 3 324.424 3.071 50 0 DGAAHN O=C1c2ccccc2C(=O)N1c1ccc(CN2CCCCC2)cc1 ZINC000012320992 431501279 /nfs/dbraw/zinc/50/12/79/431501279.db2.gz SOOHVQUSPMMHPM-UHFFFAOYSA-N 0 3 320.392 3.473 50 0 DGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000013468066 431556893 /nfs/dbraw/zinc/55/68/93/431556893.db2.gz KPKHZUZWCXNNOG-UHFFFAOYSA-N 0 3 300.446 3.348 50 0 DGAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000013678517 431562612 /nfs/dbraw/zinc/56/26/12/431562612.db2.gz RPLRKGKDIWXNOO-UHFFFAOYSA-N 0 3 320.436 3.481 50 0 DGAAHN CCN1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013326145 431551131 /nfs/dbraw/zinc/55/11/31/431551131.db2.gz BPEUBHYUPWHZCK-UHFFFAOYSA-N 0 3 315.244 3.136 50 0 DGAAHN CCN1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013326208 431551519 /nfs/dbraw/zinc/55/15/19/431551519.db2.gz FZHPDAFTLCWXRY-UHFFFAOYSA-N 0 3 301.217 3.208 50 0 DGAAHN CCN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000013325962 431551971 /nfs/dbraw/zinc/55/19/71/431551971.db2.gz IFLSLVGASJBYBN-UHFFFAOYSA-N 0 3 301.217 3.208 50 0 DGAAHN CCN1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000014523631 431593624 /nfs/dbraw/zinc/59/36/24/431593624.db2.gz CHZYCQXOSJLSOB-UHFFFAOYSA-N 0 3 322.452 3.497 50 0 DGAAHN c1c2ccccc2oc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000077470524 431596703 /nfs/dbraw/zinc/59/67/03/431596703.db2.gz AYEOIUJYODVKMM-KRWDZBQOSA-N 0 3 314.429 3.120 50 0 DGAAHN CSCCCN1C(=O)CC[C@H]1CCNCc1ccccc1F ZINC000014885999 431597688 /nfs/dbraw/zinc/59/76/88/431597688.db2.gz HGRVEQBWKIICPU-HNNXBMFYSA-N 0 3 324.465 3.050 50 0 DGAAHN Cc1cc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1[O-] ZINC000077485143 431599188 /nfs/dbraw/zinc/59/91/88/431599188.db2.gz VHSOEPMZZBTCPX-KRWDZBQOSA-N 0 3 316.445 3.181 50 0 DGAAHN Cc1[nH]cnc1-c1nccn1C[C@H](c1ccco1)N1CCCC1 ZINC000077354248 431585516 /nfs/dbraw/zinc/58/55/16/431585516.db2.gz ATTJKKXPAAXFFX-CQSZACIVSA-N 0 3 311.389 3.012 50 0 DGAAHN c1cn(-c2ccc(CN[C@@H]3CCOc4ccccc43)cc2)cn1 ZINC000025357545 431655231 /nfs/dbraw/zinc/65/52/31/431655231.db2.gz QLENFUGIZUSWJZ-GOSISDBHSA-N 0 3 305.381 3.486 50 0 DGAAHN Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)no1 ZINC000021835792 431633662 /nfs/dbraw/zinc/63/36/62/431633662.db2.gz AGBYJSJTRGZXFO-LBPRGKRZSA-N 0 3 320.418 3.003 50 0 DGAAHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 ZINC000026896102 431681305 /nfs/dbraw/zinc/68/13/05/431681305.db2.gz JFLCCGFMLBSXBA-CALCHBBNSA-N 0 3 316.445 3.375 50 0 DGAAHN C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 ZINC000078570631 431683262 /nfs/dbraw/zinc/68/32/62/431683262.db2.gz NIUIYONNBJSBMH-HYVNUMGLSA-N 0 3 306.494 3.439 50 0 DGAAHN Cc1n[nH]cc1CN[C@@H]1CCc2c1cccc2Br ZINC000078553797 431683280 /nfs/dbraw/zinc/68/32/80/431683280.db2.gz JOWBTWZSJLEJGJ-CQSZACIVSA-N 0 3 306.207 3.258 50 0 DGAAHN CC(=O)Nc1ccc(CNCCOc2ccc(F)cc2F)cc1 ZINC000078604186 431688001 /nfs/dbraw/zinc/68/80/01/431688001.db2.gz DSIBUOKEUQJVKR-UHFFFAOYSA-N 0 3 320.339 3.092 50 0 DGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000027582226 431689958 /nfs/dbraw/zinc/68/99/58/431689958.db2.gz KHZBWPAWLTXRRG-HNNXBMFYSA-N 0 3 300.427 3.315 50 0 DGAAHN Cc1cccc(C)c1OCCCN1CCCC[C@H]1C1OCCO1 ZINC000078674140 431693732 /nfs/dbraw/zinc/69/37/32/431693732.db2.gz WYZJIDHTMBAFQK-KRWDZBQOSA-N 0 3 319.445 3.300 50 0 DGAAHN Cc1cc(NC(=O)CCN2CCC[C@H]2c2cccs2)no1 ZINC000028634531 431707209 /nfs/dbraw/zinc/70/72/09/431707209.db2.gz VDNQPCANHUBOJA-LBPRGKRZSA-N 0 3 305.403 3.210 50 0 DGAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCC1 ZINC000028707428 431708766 /nfs/dbraw/zinc/70/87/66/431708766.db2.gz MVYQESHHNJFKFD-UHFFFAOYSA-N 0 3 320.436 3.481 50 0 DGAAHN Cc1cccn2c(=O)cc(CN(C)[C@@H]3CCc4ccccc43)nc12 ZINC000029486257 431725256 /nfs/dbraw/zinc/72/52/56/431725256.db2.gz PGNIVVMAVQDXIN-GOSISDBHSA-N 0 3 319.408 3.122 50 0 DGAAHN C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000030861795 431747562 /nfs/dbraw/zinc/74/75/62/431747562.db2.gz IRQHSWRXHFMUDT-OAHLLOKOSA-N 0 3 312.413 3.292 50 0 DGAAHN CCN(CC)[C@@H](CNC(=O)Nc1cc(C)on1)c1ccsc1 ZINC000031097311 431752936 /nfs/dbraw/zinc/75/29/36/431752936.db2.gz MQQVZAUXRNKKAS-ZDUSSCGKSA-N 0 3 322.434 3.249 50 0 DGAAHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccccc1 ZINC000031096609 431753538 /nfs/dbraw/zinc/75/35/38/431753538.db2.gz COJXJBCAWNSCOJ-UHFFFAOYSA-N 0 3 319.474 3.170 50 0 DGAAHN CC[C@@H](CNC(=O)NC1CCCC1)N1CCc2ccccc2C1 ZINC000031050186 431753785 /nfs/dbraw/zinc/75/37/85/431753785.db2.gz NOAQQSGYKOSLFL-SFHVURJKSA-N 0 3 315.461 3.065 50 0 DGAAHN Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000032862774 431795551 /nfs/dbraw/zinc/79/55/51/431795551.db2.gz PNVBKIXSWZVTHP-GOSISDBHSA-N 0 3 311.429 3.097 50 0 DGAAHN C[C@@H](N)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000032199670 431775082 /nfs/dbraw/zinc/77/50/82/431775082.db2.gz SRVCPVNQBXHVIO-LLVKDONJSA-N 0 3 304.777 3.205 50 0 DGAAHN C[C@H](CNC(=O)c1cc(-c2cccs2)on1)N1CCCCC1 ZINC000032594186 431784479 /nfs/dbraw/zinc/78/44/79/431784479.db2.gz ZQMOBRKCCCWXHY-GFCCVEGCSA-N 0 3 319.430 3.007 50 0 DGAAHN COc1ccc(CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000040017926 431856019 /nfs/dbraw/zinc/85/60/19/431856019.db2.gz CVVRURBBWBZZJH-UHFFFAOYSA-N 0 3 310.441 3.368 50 0 DGAAHN CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000089319403 431863210 /nfs/dbraw/zinc/86/32/10/431863210.db2.gz RQTHZGCIUWMYQZ-ZWKOTPCHSA-N 0 3 312.388 3.173 50 0 DGAAHN CCCn1c(CNC[C@H]2CCCn3ccnc32)nc2ccccc21 ZINC000084760555 431833796 /nfs/dbraw/zinc/83/37/96/431833796.db2.gz AIBYDHYJELNTMB-OAHLLOKOSA-N 0 3 323.444 3.310 50 0 DGAAHN CCC[C@@H](O)CN(Cc1cccc(OC)c1OC)CC(C)C ZINC000036097061 431835062 /nfs/dbraw/zinc/83/50/62/431835062.db2.gz JCDHXTBWGHBDHQ-MRXNPFEDSA-N 0 3 309.450 3.323 50 0 DGAAHN O=C(c1ccsc1)N1CCCN(C[C@@H]2CC=CCC2)CC1 ZINC000092149077 431907784 /nfs/dbraw/zinc/90/77/84/431907784.db2.gz OPFVAKMZALLSJB-OAHLLOKOSA-N 0 3 304.459 3.252 50 0 DGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000095354583 431923123 /nfs/dbraw/zinc/92/31/23/431923123.db2.gz IWQJXMXUFLVIKJ-CZUORRHYSA-N 0 3 306.837 3.286 50 0 DGAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCn2cccc2C1 ZINC000095370598 431924017 /nfs/dbraw/zinc/92/40/17/431924017.db2.gz BZAFZDJRSUMEAG-UHFFFAOYSA-N 0 3 323.440 3.130 50 0 DGAAHN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(F)c1 ZINC000048332662 431924213 /nfs/dbraw/zinc/92/42/13/431924213.db2.gz SVHDNIQVGLIDPQ-LBPRGKRZSA-N 0 3 314.339 3.396 50 0 DGAAHN COc1ccc(Cl)cc1[C@@H](C)NCCCN1CCCC1=O ZINC000089904573 431884532 /nfs/dbraw/zinc/88/45/32/431884532.db2.gz OOGAUZJMUVGHQL-GFCCVEGCSA-N 0 3 310.825 3.012 50 0 DGAAHN C[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 ZINC000089904606 431884563 /nfs/dbraw/zinc/88/45/63/431884563.db2.gz ZPWCXLWSOJOUBP-KSSFIOAISA-N 0 3 301.409 3.044 50 0 DGAAHN C[C@@H]1C[C@@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 ZINC000089920327 431885262 /nfs/dbraw/zinc/88/52/62/431885262.db2.gz JRDBICHPJLHHPH-TZMCWYRMSA-N 0 3 314.351 3.108 50 0 DGAAHN Fc1cc(-c2nc3c([nH]2)CNCC3)ccc1OCc1ccccc1 ZINC000097604273 431972913 /nfs/dbraw/zinc/97/29/13/431972913.db2.gz QADIKKJCFDFQJP-UHFFFAOYSA-N 0 3 323.371 3.441 50 0 DGAAHN CC[C@@H](CO)N(Cc1cccs1)Cc1ccc2nonc2c1 ZINC000055053051 431975561 /nfs/dbraw/zinc/97/55/61/431975561.db2.gz UNVRNXIAKVVXRF-ZDUSSCGKSA-N 0 3 317.414 3.057 50 0 DGAAHN C[C@@H](N[C@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 ZINC000095968339 431930147 /nfs/dbraw/zinc/93/01/47/431930147.db2.gz KMXGLMDHSXQJSR-DGCLKSJQSA-N 0 3 305.399 3.251 50 0 DGAAHN CC[C@H](NCc1ccccc1)c1ccccc1OCC(=O)NC ZINC000048749799 431931278 /nfs/dbraw/zinc/93/12/78/431931278.db2.gz CBULMKWRNDLSRG-KRWDZBQOSA-N 0 3 312.413 3.052 50 0 DGAAHN Cc1ncccc1CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000095988577 431932620 /nfs/dbraw/zinc/93/26/20/431932620.db2.gz SDARCUPRKCHXFG-DLBZAZTESA-N 0 3 304.340 3.288 50 0 DGAAHN CN(Cc1cccnc1)[C@H]1CCCC[C@@H]1N(C)Cc1cccnc1 ZINC000095995925 431933178 /nfs/dbraw/zinc/93/31/78/431933178.db2.gz ZFAOMZBZBKFGOQ-PMACEKPBSA-N 0 3 324.472 3.352 50 0 DGAAHN Cc1ccc(NC(=O)CN[C@H](CCO)C2CCCCC2)cc1C ZINC000095995958 431933373 /nfs/dbraw/zinc/93/33/73/431933373.db2.gz PUKJGRIMOHNZII-GOSISDBHSA-N 0 3 318.461 3.163 50 0 DGAAHN CN(CCCOc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000096027431 431934558 /nfs/dbraw/zinc/93/45/58/431934558.db2.gz RSYGYMLSQHECRA-KRWDZBQOSA-N 0 3 313.397 3.227 50 0 DGAAHN c1ccc2c(c1)ccnc2N1CCCN(Cc2ccncc2)CC1 ZINC000096132568 431939744 /nfs/dbraw/zinc/93/97/44/431939744.db2.gz HMTOGWPBSAEVFG-UHFFFAOYSA-N 0 3 318.424 3.342 50 0 DGAAHN CSc1ccc(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)cc1 ZINC000096165158 431940612 /nfs/dbraw/zinc/94/06/12/431940612.db2.gz YIYPKDNSQOQULP-ZDUSSCGKSA-N 0 3 319.474 3.499 50 0 DGAAHN CN(C)[C@H](CNc1cnc2ccccc2n1)c1ccc(F)cc1 ZINC000052486103 431956868 /nfs/dbraw/zinc/95/68/68/431956868.db2.gz ANYKIJINAUSTQH-QGZVFWFLSA-N 0 3 310.376 3.484 50 0 DGAAHN Cc1ccc([C@H](C)N(C)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000052907557 431959250 /nfs/dbraw/zinc/95/92/50/431959250.db2.gz BJXQJBLRNAPMER-HNNXBMFYSA-N 0 3 307.397 3.196 50 0 DGAAHN CNC(=O)CC1CCN(c2c(C)c(C)nc3ccccc32)CC1 ZINC000097085979 431960427 /nfs/dbraw/zinc/96/04/27/431960427.db2.gz USZDNMSGXPGDGP-UHFFFAOYSA-N 0 3 311.429 3.204 50 0 DGAAHN C[C@@H](CN1CCC(c2nncn2C)CC1)c1cccc(Cl)c1 ZINC000097103882 431960941 /nfs/dbraw/zinc/96/09/41/431960941.db2.gz PAWPYWBTANGCLN-ZDUSSCGKSA-N 0 3 318.852 3.452 50 0 DGAAHN CC(C)(C)c1n[nH]cc1CNCc1cccc(Cn2ccnc2)c1 ZINC000097159349 431963426 /nfs/dbraw/zinc/96/34/26/431963426.db2.gz CCMZEMCVKKCDIK-UHFFFAOYSA-N 0 3 323.444 3.242 50 0 DGAAHN CN(C)Cc1csc(CN(C)Cc2noc(C3CCC3)n2)c1 ZINC000097172878 431964233 /nfs/dbraw/zinc/96/42/33/431964233.db2.gz RUHFCBUAWHTVNA-UHFFFAOYSA-N 0 3 320.462 3.092 50 0 DGAAHN CC(C)c1nnc2n1C[C@H](NCc1ccc(Cl)c(F)c1)CC2 ZINC000097199436 431964652 /nfs/dbraw/zinc/96/46/52/431964652.db2.gz ABUBNRMRRLSIPF-GFCCVEGCSA-N 0 3 322.815 3.299 50 0 DGAAHN c1ccc(C2CC(NCc3ccnc(O[C@H]4CCOC4)c3)C2)cc1 ZINC000128191969 431989728 /nfs/dbraw/zinc/98/97/28/431989728.db2.gz HQWQHYYUBCVGBR-ACBHZAAOSA-N 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/nfs/dbraw/zinc/62/70/10/432627010.db2.gz HUGRIPKOJPJTLL-MNOVXSKESA-N 0 3 318.280 3.214 50 0 DGAAHN c1ccc(CN2CCC(c3nc([C@@H]4CCCO4)no3)CC2)cc1 ZINC000274238518 432640912 /nfs/dbraw/zinc/64/09/12/432640912.db2.gz VWKXRNMMRVCHQH-INIZCTEOSA-N 0 3 313.401 3.301 50 0 DGAAHN CN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCOC(C)(C)C1 ZINC000215430090 432642052 /nfs/dbraw/zinc/64/20/52/432642052.db2.gz WSUDUQQPNBBLNG-LBPRGKRZSA-N 0 3 305.397 3.339 50 0 DGAAHN C[C@@H](c1ccncn1)N(C)Cc1cc(CN2CCCC2)cs1 ZINC000215432744 432642998 /nfs/dbraw/zinc/64/29/98/432642998.db2.gz HZFPAENZDQNKDT-AWEZNQCLSA-N 0 3 316.474 3.327 50 0 DGAAHN Cc1nc2ccccc2c(N2CCC(c3nncn3C)CC2)c1C ZINC000097085913 282073061 /nfs/dbraw/zinc/07/30/61/282073061.db2.gz RNTQIRWLCTYXSR-UHFFFAOYSA-N 0 3 321.428 3.364 50 0 DGAAHN Cc1nc2ccccc2c(N2CCO[C@H](c3cnn(C)c3)C2)c1C ZINC000097085996 282073589 /nfs/dbraw/zinc/07/35/89/282073589.db2.gz UCWMCZYAHIPESK-SFHVURJKSA-N 0 3 322.412 3.163 50 0 DGAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(O)(c3cccnc3)CC1)=CC2 ZINC000216386933 432649285 /nfs/dbraw/zinc/64/92/85/432649285.db2.gz CLSRVLHCSHQCDE-WMZOPIPTSA-N 0 3 312.457 3.357 50 0 DGAAHN CCOc1ccc2nc(CN(C)C3CCOCC3)ccc2c1 ZINC000216387708 432649307 /nfs/dbraw/zinc/64/93/07/432649307.db2.gz REHSBACMKDKQII-UHFFFAOYSA-N 0 3 300.402 3.244 50 0 DGAAHN COc1ccc2nc(CN3CCC[C@H]3C(C)(C)O)sc2c1 ZINC000187306744 432656492 /nfs/dbraw/zinc/65/64/92/432656492.db2.gz KUBAYLRLJNMNCM-AWEZNQCLSA-N 0 3 306.431 3.040 50 0 DGAAHN O=C(N[C@H]1COc2ccccc21)C1(N2CCCC2)CCCCC1 ZINC000219286281 432662732 /nfs/dbraw/zinc/66/27/32/432662732.db2.gz RMWMWGPWODCLCA-INIZCTEOSA-N 0 3 314.429 3.035 50 0 DGAAHN Cc1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000225827618 432699855 /nfs/dbraw/zinc/69/98/55/432699855.db2.gz JLOXREWWNJGYOF-LJQANCHMSA-N 0 3 312.413 3.060 50 0 DGAAHN CN(CC1CCC1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189268055 432773711 /nfs/dbraw/zinc/77/37/11/432773711.db2.gz GUOCHOVYVKZVNE-KRWDZBQOSA-N 0 3 322.399 3.188 50 0 DGAAHN COCCN(CCn1cnc2ccccc21)Cc1cccs1 ZINC000243892815 432820310 /nfs/dbraw/zinc/82/03/10/432820310.db2.gz ALQBKMQLKMGKER-UHFFFAOYSA-N 0 3 315.442 3.246 50 0 DGAAHN CCOc1cccc(OCCN(C)Cc2ccncc2C)c1 ZINC000244652001 432821644 /nfs/dbraw/zinc/82/16/44/432821644.db2.gz GYBDIRYMERWNJV-UHFFFAOYSA-N 0 3 300.402 3.300 50 0 DGAAHN Cc1ccc(NC(=O)CCN2CCCO[C@H](C)C2)cc1Cl ZINC000244794812 432823083 /nfs/dbraw/zinc/82/30/83/432823083.db2.gz QUBIQWZANYKOJE-CYBMUJFWSA-N 0 3 310.825 3.088 50 0 DGAAHN CO[C@@H]1CCCN(CCC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000244795014 432823357 /nfs/dbraw/zinc/82/33/57/432823357.db2.gz QYAWMRDPUSDWAQ-CQSZACIVSA-N 0 3 310.825 3.088 50 0 DGAAHN C[C@H](CCc1ccccc1)CC(=O)N[C@H]1CCN(C)C[C@H]1C ZINC000241439867 432815433 /nfs/dbraw/zinc/81/54/33/432815433.db2.gz NNAFXOAKLKUCHA-NUJGCVRESA-N 0 3 302.462 3.102 50 0 DGAAHN CN(C)C(=O)c1cccc(CN2CCSC[C@H]2C2CCC2)c1 ZINC000408521668 289032919 /nfs/dbraw/zinc/03/29/19/289032919.db2.gz QBDJNLQKGIIGCC-KRWDZBQOSA-N 0 3 318.486 3.106 50 0 DGAAHN CN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000016603450 289884259 /nfs/dbraw/zinc/88/42/59/289884259.db2.gz AUHSCVXWDNWEOW-UHFFFAOYSA-N 0 3 322.408 3.135 50 0 DGAAHN COc1cccc(-c2ncc(CN(C)CC3(C)COC3)s2)c1 ZINC000299791547 433387547 /nfs/dbraw/zinc/38/75/47/433387547.db2.gz GPHDVJNMYOSFNE-UHFFFAOYSA-N 0 3 318.442 3.287 50 0 DGAAHN COc1cc(-c2ccc(CN(C)C)cc2)cc(OC)c1OC ZINC000426489449 433510458 /nfs/dbraw/zinc/51/04/58/433510458.db2.gz YWESVGUMHYVVRA-UHFFFAOYSA-N 0 3 301.386 3.441 50 0 DGAAHN CC(C)SCCNC(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426580974 433535980 /nfs/dbraw/zinc/53/59/80/433535980.db2.gz PFGSWYYZTFOSFD-UHFFFAOYSA-N 0 3 315.442 3.202 50 0 DGAAHN COc1ccc([C@H](C)[C@@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000095419779 295239452 /nfs/dbraw/zinc/23/94/52/295239452.db2.gz COLKJQJEDXWCCX-LBTNJELSSA-N 0 3 312.413 3.003 50 0 DGAAHN COc1ccc(C2(NC[C@H]3CCC=CO3)CCOCC2)cc1F ZINC000408514781 434583586 /nfs/dbraw/zinc/58/35/86/434583586.db2.gz JTOMGDIBVAYHIS-OAHLLOKOSA-N 0 3 321.392 3.122 50 0 DGAAHN CSC(C)(C)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000583651245 435244642 /nfs/dbraw/zinc/24/46/42/435244642.db2.gz JJAYFHLASAGVBO-UHFFFAOYSA-N 0 3 321.412 3.469 50 0 DGAAHN Cc1cc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)cs1 ZINC000534673157 334321139 /nfs/dbraw/zinc/32/11/39/334321139.db2.gz NGDHTIGEJDGWGX-UHFFFAOYSA-N 0 3 302.443 3.357 50 0 DGAAHN COc1ccc(CCNCc2ccc(OC)cc2OC)cc1 ZINC000002734857 500847751 /nfs/dbraw/zinc/84/77/51/500847751.db2.gz PKPPAHWIYZWJMB-UHFFFAOYSA-N 0 3 301.386 3.045 50 0 DGAAHN COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000001629541 500850394 /nfs/dbraw/zinc/85/03/94/500850394.db2.gz GXTUEUWFEKEQHJ-QGZVFWFLSA-N 0 3 313.397 3.142 50 0 DGAAHN CC(C)(CNC(=O)NCc1ccc(Cl)cc1)N1CCCCC1 ZINC000032863551 545669620 /nfs/dbraw/zinc/66/96/20/545669620.db2.gz YKXOSTKAAMQFKY-UHFFFAOYSA-N 0 3 323.868 3.404 50 0 DGAAHN CC(C)n1c(CNC[C@H]2CCCn3ccnc32)nc2ccccc21 ZINC000084633111 545792696 /nfs/dbraw/zinc/79/26/96/545792696.db2.gz BRDOJHIUYFMVEI-OAHLLOKOSA-N 0 3 323.444 3.481 50 0 DGAAHN CNC1(c2nnnn2-c2c(C)cccc2C)[C@H](C)CCC[C@H]1C ZINC000085397610 545797008 /nfs/dbraw/zinc/79/70/08/545797008.db2.gz AJUVLTLEVIGLTL-HUUCEWRRSA-N 0 3 313.449 3.150 50 0 DGAAHN O[C@H](CN[C@@H]1CCc2c1cccc2Br)c1ccco1 ZINC000091281850 545834121 /nfs/dbraw/zinc/83/41/21/545834121.db2.gz KTPOAYVGIVDAGN-ZIAGYGMSSA-N 0 3 322.202 3.353 50 0 DGAAHN CC(C)(CN1CCC[C@@H]1CC1CCCCC1)S(C)(=O)=O ZINC000092644145 545849804 /nfs/dbraw/zinc/84/98/04/545849804.db2.gz KYXCMRPJZLXALI-OAHLLOKOSA-N 0 3 301.496 3.244 50 0 DGAAHN Cc1cccc(CNC(=O)C2(N3CCCCC3)CCCCC2)n1 ZINC000215142796 546262141 /nfs/dbraw/zinc/26/21/41/546262141.db2.gz SZIADSNBTWSPGM-UHFFFAOYSA-N 0 3 315.461 3.195 50 0 DGAAHN CN(Cc1cccc(F)c1C(F)(F)F)CC1(CO)CCC1 ZINC000670471223 547759459 /nfs/dbraw/zinc/75/94/59/547759459.db2.gz WRRJHKAKJXFANN-UHFFFAOYSA-N 0 3 305.315 3.439 50 0 DGAAHN OC[C@@]1(NCc2ccc3cnccc3c2)CCc2ccccc21 ZINC000683773509 549534426 /nfs/dbraw/zinc/53/44/26/549534426.db2.gz DNZPKAORJHZDTM-FQEVSTJZSA-N 0 3 304.393 3.158 50 0 DGAAHN C[C@@H]1CCC[C@H](NCc2nnc3n2CCC[C@H]3C(F)(F)F)C1 ZINC000299754121 563938896 /nfs/dbraw/zinc/93/88/96/563938896.db2.gz VZBBTZOZTRYFFU-GRYCIOLGSA-N 0 3 316.371 3.386 50 0 DGAAHN CC[C@@H]1CN(CC2Cc3ccccc3C2)CCN1CC(F)F ZINC000585085008 574817668 /nfs/dbraw/zinc/81/76/68/574817668.db2.gz MXWRDRUPKJBDMC-QGZVFWFLSA-N 0 3 308.416 3.063 50 0 DGAAHN CN1CC[C@H]2CN(C(=O)c3cccc(-c4cccc(F)c4)c3)C[C@H]21 ZINC000220510796 575982479 /nfs/dbraw/zinc/98/24/79/575982479.db2.gz NILHHMFGZNNNEE-PKOBYXMFSA-N 0 3 324.399 3.269 50 0 DGAAHN Cc1nc2ccccc2n1CCN[C@H](C)c1cnc(Cl)n1C ZINC000888099212 618625750 /nfs/dbraw/zinc/62/57/50/618625750.db2.gz XEBCFPUZRGAATR-LLVKDONJSA-N 0 3 317.824 3.082 50 0 DGAAHN CC(=O)N1CC[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2CC1 ZINC000946418486 660353383 /nfs/dbraw/zinc/35/33/83/660353383.db2.gz FBMLHOVTQADTNK-GASCZTMLSA-N 0 3 324.827 3.169 50 0 DGAAHN c1cc(CN2CCc3nnc(-c4ccccc4)n3CC2)cs1 ZINC000012165781 660503830 /nfs/dbraw/zinc/50/38/30/660503830.db2.gz NJINCGNGGKTSNN-UHFFFAOYSA-N 0 3 310.426 3.065 50 0 DGAAHN COc1ccc(C[C@@H](C)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022586771 655719819 /nfs/dbraw/zinc/71/98/19/655719819.db2.gz NLDOYJPJCWEZNB-GOSISDBHSA-N 0 3 324.468 3.444 50 0 DGAAHN Cc1c(Cl)cccc1-c1nc(C2CC[NH+](C)CC2)cc(=O)[n-]1 ZINC000023145831 655802263 /nfs/dbraw/zinc/80/22/63/655802263.db2.gz QMMVHVUDBZLASE-UHFFFAOYSA-N 0 3 317.820 3.208 50 0 DGAAHN CN1CCCCC[C@H]1C(=O)NCc1ccc2c(c1)CCCC2 ZINC000952974902 662209978 /nfs/dbraw/zinc/20/99/78/662209978.db2.gz NQDOPJHCTJQWJA-SFHVURJKSA-N 0 3 300.446 3.056 50 0 DGAAHN Cc1ccc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000011841660 685046821 /nfs/dbraw/zinc/04/68/21/685046821.db2.gz DMVZEYUWGBKASK-GOSISDBHSA-N 0 3 312.388 3.025 50 0 DGAAHN Cc1ccc(N2CCC(N3CC(c4ccccn4)C3)CC2)cc1 ZINC001529147370 1187536789 /nfs/dbraw/zinc/53/67/89/1187536789.db2.gz YCXOVIJMSCSAQU-UHFFFAOYSA-N 0 3 307.441 3.458 50 0 DGAAHN CC1=CC2(CCN(C[C@H]3COc4ccccc4O3)CC2)OCC1 ZINC001704298796 1202519409 /nfs/dbraw/zinc/51/94/09/1202519409.db2.gz JWKNMSRWPXEURY-INIZCTEOSA-N 0 3 315.413 3.028 50 0 DGAAHN CCOc1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1OC ZINC001704298666 1202519448 /nfs/dbraw/zinc/51/94/48/1202519448.db2.gz KPNQFMCJJGQUCQ-RTBURBONSA-N 0 3 319.445 3.221 50 0 DGAAHN C[C@]1(O)CCOC2(CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC001704313246 1202520380 /nfs/dbraw/zinc/52/03/80/1202520380.db2.gz IYYFXBKIYRFPLY-DCKQQPRJSA-N 0 3 319.420 3.235 50 0 DGAAHN