smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(-c2ccnc3nc(-c4cccs4)nn32)cc1 ZINC000095473522 185372788 /nfs/dbraw/zinc/37/27/88/185372788.db2.gz UYBCICDDZQINLU-UHFFFAOYSA-N 0 0 324.434 4.242 50 0 DIAARN CCC[C@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 ZINC000095478403 185373408 /nfs/dbraw/zinc/37/34/08/185373408.db2.gz QOCADACZCUOJLI-KRWDZBQOSA-N 0 0 309.475 4.244 50 0 DIAARN CCC[C@@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 ZINC000095478404 185373413 /nfs/dbraw/zinc/37/34/13/185373413.db2.gz QOCADACZCUOJLI-QGZVFWFLSA-N 0 0 309.475 4.244 50 0 DIAARN O=C1C[C@@H](c2ccccc2)CN1Cc1cc(C2CCCCC2)no1 ZINC000095508281 185375979 /nfs/dbraw/zinc/37/59/79/185375979.db2.gz XGRIVQNVRPNUQF-QGZVFWFLSA-N 0 0 324.424 4.238 50 0 DIAARN CCO[C@H](C)c1noc(CNc2ccc3c4c(cccc42)CC3)n1 ZINC000076700371 185032375 /nfs/dbraw/zinc/03/23/75/185032375.db2.gz GVDUEYIERKSBQS-GFCCVEGCSA-N 0 0 323.396 4.031 50 0 DIAARN COc1ccc(/C=C\C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000096601710 185384314 /nfs/dbraw/zinc/38/43/14/185384314.db2.gz VGLHUYKBOQIAKS-FLIBITNWSA-N 0 0 324.405 4.265 50 0 DIAARN CC(C)(C)OC(=O)Nc1ccc2cccc(Br)c2n1 ZINC000095802887 185384042 /nfs/dbraw/zinc/38/40/42/185384042.db2.gz HJBMJXRHCHVNHN-UHFFFAOYSA-N 0 0 323.190 4.344 50 0 DIAARN COc1cc(OC)c(NC(=O)/C=C\c2cccs2)cc1Cl ZINC000096600662 185384436 /nfs/dbraw/zinc/38/44/36/185384436.db2.gz HGLYKTRDORWNIC-WAYWQWQTSA-N 0 0 323.801 4.071 50 0 DIAARN COc1cc(/C=C\c2ccc3ccccc3n2)cc(OC)c1O ZINC000096766139 185386663 /nfs/dbraw/zinc/38/66/63/185386663.db2.gz KZWODTRFBAHCTC-CLFYSBASSA-N 0 0 307.349 4.128 50 0 DIAARN Cc1cc(C)c(NC(=O)/C=C\c2cccc(Cl)c2)c(C)n1 ZINC000096794810 185388405 /nfs/dbraw/zinc/38/84/05/185388405.db2.gz NGKAGZXYCHWGEC-FPLPWBNLSA-N 0 0 300.789 4.312 50 0 DIAARN COc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)cc1OC ZINC000096793850 185388504 /nfs/dbraw/zinc/38/85/04/185388504.db2.gz CXGJCNNQQUHSMW-YVMONPNESA-N 0 0 323.801 4.071 50 0 DIAARN CO[C@H](C)c1nc(CN2c3cccc4cccc(c34)C2=O)cs1 ZINC000078990481 185141818 /nfs/dbraw/zinc/14/18/18/185141818.db2.gz HDKZYRRRGLYHMC-LLVKDONJSA-N 0 0 324.405 4.164 50 0 DIAARN Cc1nnc([C@H](C)N[C@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000079030412 185147665 /nfs/dbraw/zinc/14/76/65/185147665.db2.gz RVSDEOOOJFNYBF-KGLIPLIRSA-N 0 0 317.433 4.215 50 0 DIAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](CC)O1 ZINC000079093141 185157143 /nfs/dbraw/zinc/15/71/43/185157143.db2.gz VIHFLBGQHIWGED-FCGDIQPGSA-N 0 0 315.457 4.129 50 0 DIAARN Cc1cc(N2CCCC[C@H]2CC(C)C)nc(-c2ccncc2)n1 ZINC000079097918 185157879 /nfs/dbraw/zinc/15/78/79/185157879.db2.gz LWMUUFMDCFTYTK-KRWDZBQOSA-N 0 0 310.445 4.252 50 0 DIAARN O=C(/C=C\c1ccco1)OCc1cc2ccccc2nc1Cl ZINC000096809483 185388894 /nfs/dbraw/zinc/38/88/94/185388894.db2.gz QMTAHBIYFRITTL-FPLPWBNLSA-N 0 0 313.740 4.238 50 0 DIAARN COc1ccc(/C=C\C(=O)N(C)[C@@H](C)c2ccccc2)cc1F ZINC000096891875 185390619 /nfs/dbraw/zinc/39/06/19/185390619.db2.gz LWEDRRHRMAEWRA-HCYCVZQXSA-N 0 0 313.372 4.067 50 0 DIAARN CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000082608898 185191106 /nfs/dbraw/zinc/19/11/06/185191106.db2.gz RTBLGLFTLCLKRV-UHFFFAOYSA-N 0 0 318.442 4.411 50 0 DIAARN O=C(c1ccnc2ccccc21)c1ccccc1C(F)(F)F ZINC000083309404 185221834 /nfs/dbraw/zinc/22/18/34/185221834.db2.gz KGVCEUSAXRYUKQ-UHFFFAOYSA-N 0 0 301.267 4.485 50 0 DIAARN C/C=C\c1cc(C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000096925896 185392121 /nfs/dbraw/zinc/39/21/21/185392121.db2.gz GTLIUSFMWPSHRE-UITAMQMPSA-N 0 0 317.429 4.142 50 0 DIAARN Cc1cccc(/C=C\C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000096940888 185393165 /nfs/dbraw/zinc/39/31/65/185393165.db2.gz NRNJKRXYKHDUGV-KTKRTIGZSA-N 0 0 316.404 4.074 50 0 DIAARN Fc1cccc(CSc2n[nH]c(C=Cc3cccs3)n2)c1 ZINC000096940053 185393297 /nfs/dbraw/zinc/39/32/97/185393297.db2.gz QSDQXWAJRUVBPG-SREVYHEPSA-N 0 0 317.414 4.468 50 0 DIAARN O=C1C[C@@H](c2nc3cc(Cl)ccc3o2)CN1c1ccccc1 ZINC000082087156 192354201 /nfs/dbraw/zinc/35/42/01/192354201.db2.gz LKRJORGMWCRTQT-LLVKDONJSA-N 0 0 312.756 4.002 50 0 DIAARN Cc1cccc2c1c(Br)cn2C(=O)OC(C)(C)C ZINC000090550532 185302490 /nfs/dbraw/zinc/30/24/90/185302490.db2.gz QWVXXRZFCVHOPO-UHFFFAOYSA-N 0 0 310.191 4.495 50 0 DIAARN O=C([C@@H]1CC=CCC1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612375 185306802 /nfs/dbraw/zinc/30/68/02/185306802.db2.gz APNRBZJJGUFSHL-MRXNPFEDSA-N 0 0 315.438 4.269 50 0 DIAARN O=C(Nc1ccc(F)c(Br)c1)OCc1ccccc1 ZINC000090636018 185307700 /nfs/dbraw/zinc/30/77/00/185307700.db2.gz AVLKMUXJCIPDEQ-UHFFFAOYSA-N 0 0 324.149 4.337 50 0 DIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 ZINC000000359635 190613519 /nfs/dbraw/zinc/61/35/19/190613519.db2.gz UWCWUFBBBPIARB-UHFFFAOYSA-N 0 0 312.438 4.245 50 0 DIAARN Brc1ccc2nc(-c3c[nH]c4ccccc34)cn2c1 ZINC000003365783 190617628 /nfs/dbraw/zinc/61/76/28/190617628.db2.gz TVOQQCQDXGJVJN-UHFFFAOYSA-N 0 0 312.170 4.245 50 0 DIAARN CC(=O)c1ccccc1NCC(=O)Nc1cccc2ccccc21 ZINC000003398317 190618100 /nfs/dbraw/zinc/61/81/00/190618100.db2.gz PYGIFHIRVKDSRV-UHFFFAOYSA-N 0 0 318.376 4.093 50 0 DIAARN COc1ccc(/C=C\c2nc3ccccc3n2C(F)F)cc1O ZINC000096973189 185394943 /nfs/dbraw/zinc/39/49/43/185394943.db2.gz KJQCTXCXPSQBOO-CLFYSBASSA-N 0 0 316.307 4.316 50 0 DIAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccccc2)no1 ZINC000006867977 190626142 /nfs/dbraw/zinc/62/61/42/190626142.db2.gz PCYIGIDTXCFPQZ-UHFFFAOYSA-N 0 0 324.723 4.163 50 0 DIAARN Cc1csc(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 ZINC000007195886 190628413 /nfs/dbraw/zinc/62/84/13/190628413.db2.gz XEYYUDKCMJWEDA-UHFFFAOYSA-N 0 0 317.435 4.467 50 0 DIAARN C[C@]1(Cn2ccnc2-c2ccccc2-c2ccco2)CCCO1 ZINC000082137748 192360685 /nfs/dbraw/zinc/36/06/85/192360685.db2.gz PWXUJWWNWIKJSW-LJQANCHMSA-N 0 0 308.381 4.379 50 0 DIAARN O=C(/C=C\c1ccco1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000096996526 185395778 /nfs/dbraw/zinc/39/57/78/185395778.db2.gz YRCIOPQRFFWSQL-NTMALXAHSA-N 0 0 311.312 4.008 50 0 DIAARN O=C(CSc1nc2ccccc2o1)Nc1cccc2[nH]ccc21 ZINC000095393798 185352153 /nfs/dbraw/zinc/35/21/53/185352153.db2.gz NXNMCPWDBBXOLZ-UHFFFAOYSA-N 0 0 323.377 4.040 50 0 DIAARN C[C@@H](NC(=O)/C=C\c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC000012438625 190637072 /nfs/dbraw/zinc/63/70/72/190637072.db2.gz ZZIDYYQEZLPFFD-OWCOAQEYSA-N 0 0 309.453 4.277 50 0 DIAARN CCO[C@H](C)c1nc(C(=O)O[C@@H](C)c2cccc(F)c2)cs1 ZINC000095399929 185354035 /nfs/dbraw/zinc/35/40/35/185354035.db2.gz GLOGLPGABDXKHX-WDEREUQCSA-N 0 0 323.389 4.298 50 0 DIAARN CC(C)N(C(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(F)cc1 ZINC000097000403 185396157 /nfs/dbraw/zinc/39/61/57/185396157.db2.gz BCIUXDPGMQDBTL-CYBMUJFWSA-N 0 0 304.192 4.151 50 0 DIAARN CCc1ccc(CN[C@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000095415467 185358882 /nfs/dbraw/zinc/35/88/82/185358882.db2.gz TYRHWRODLGEUFR-LJQANCHMSA-N 0 0 310.372 4.255 50 0 DIAARN OCCCSc1ccc(NCc2cccc3cccnc32)cc1 ZINC000095429054 185362610 /nfs/dbraw/zinc/36/26/10/185362610.db2.gz LRLJGPWZFNUNCY-UHFFFAOYSA-N 0 0 324.449 4.321 50 0 DIAARN c1nc2ccccc2n1Cc1cccc(NCc2cccnc2)c1 ZINC000095429092 185362613 /nfs/dbraw/zinc/36/26/13/185362613.db2.gz XYJJLQWBKGKGJN-UHFFFAOYSA-N 0 0 314.392 4.092 50 0 DIAARN C[C@H](c1ccccc1)[S@@](=O)c1ccccc1Br ZINC000097002329 185396355 /nfs/dbraw/zinc/39/63/55/185396355.db2.gz RCZCCBJFGUBTNS-DIFFPNOSSA-N 0 0 309.228 4.318 50 0 DIAARN Cc1ccc([C@H](c2ccccn2)N(C)Cc2cccnc2)cc1 ZINC000095431941 185363625 /nfs/dbraw/zinc/36/36/25/185363625.db2.gz GMLAAMYRMIRJMU-HXUWFJFHSA-N 0 0 303.409 4.006 50 0 DIAARN CC(C)n1ccc(CNc2cccc(Oc3ccccn3)c2)n1 ZINC000097009816 185396599 /nfs/dbraw/zinc/39/65/99/185396599.db2.gz WUXRBZZCSSNBIX-UHFFFAOYSA-N 0 0 308.385 4.263 50 0 DIAARN COCc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1 ZINC000095447302 185367804 /nfs/dbraw/zinc/36/78/04/185367804.db2.gz AKWLSBWSBSTRNS-UHFFFAOYSA-N 0 0 318.804 4.057 50 0 DIAARN CC(C)c1cc(NCC2(c3ccncc3)CC2)nc(C(C)C)n1 ZINC000095450210 185368667 /nfs/dbraw/zinc/36/86/67/185368667.db2.gz QAUALIWTLKXAPX-UHFFFAOYSA-N 0 0 310.445 4.262 50 0 DIAARN COc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)cc1OC ZINC000015606156 190640547 /nfs/dbraw/zinc/64/05/47/190640547.db2.gz SNJYZKXCKYKFQE-UHFFFAOYSA-N 0 0 323.751 4.057 50 0 DIAARN Cc1ncccc1CNc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 ZINC000095455329 185369786 /nfs/dbraw/zinc/36/97/86/185369786.db2.gz MBTXWDXJFMIDEK-RDTXWAMCSA-N 0 0 318.424 4.311 50 0 DIAARN COCC(=O)N(c1ccccc1)[C@@H](C)c1ccc(Cl)cc1 ZINC000097011812 185397004 /nfs/dbraw/zinc/39/70/04/185397004.db2.gz XBNVCUDHMGJLTE-ZDUSSCGKSA-N 0 0 303.789 4.081 50 0 DIAARN COC[C@@H](N[C@@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 ZINC000097017188 185397642 /nfs/dbraw/zinc/39/76/42/185397642.db2.gz QDQIJUZWMADYLC-WCQYABFASA-N 0 0 322.474 4.380 50 0 DIAARN C[C@H](NC(=O)/C=C\c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000097030042 185399104 /nfs/dbraw/zinc/39/91/04/185399104.db2.gz AIUZGTARJKBDHG-IQQGHNRFSA-N 0 0 309.287 4.189 50 0 DIAARN CC(=O)Nc1ccc(N[C@@H](C)c2occc2Br)cc1 ZINC000097045606 185402491 /nfs/dbraw/zinc/40/24/91/185402491.db2.gz XDVKBDHYHMJPAP-VIFPVBQESA-N 0 0 323.190 4.174 50 0 DIAARN CCc1nnc(CNc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000097081229 185406810 /nfs/dbraw/zinc/40/68/10/185406810.db2.gz ZTVIXQGCGAFURT-UHFFFAOYSA-N 0 0 306.580 4.204 50 0 DIAARN CC1(NC(=O)N(c2ccccc2)c2ccccc2)CCOCC1 ZINC000097082840 185407179 /nfs/dbraw/zinc/40/71/79/185407179.db2.gz QXPFQQNSCQBDQL-UHFFFAOYSA-N 0 0 310.397 4.103 50 0 DIAARN CC(C)(C)OC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cn1 ZINC000169677409 197746976 /nfs/dbraw/zinc/74/69/76/197746976.db2.gz ZASNKMWFNLRBGM-UHFFFAOYSA-N 0 0 312.238 4.083 50 0 DIAARN CC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(C)cc1 ZINC000097134723 185413628 /nfs/dbraw/zinc/41/36/28/185413628.db2.gz ISVZHMXVFJXFQW-UHFFFAOYSA-N 0 0 307.349 4.125 50 0 DIAARN CC(=O)c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000169743866 197748160 /nfs/dbraw/zinc/74/81/60/197748160.db2.gz CVPMXQHBQZSDKH-UHFFFAOYSA-N 0 0 303.402 4.004 50 0 DIAARN O=C(Nc1ccsc1)Nc1ccc(F)cc1Br ZINC000097164644 185418188 /nfs/dbraw/zinc/41/81/88/185418188.db2.gz ZYULCUCPXVTOHA-UHFFFAOYSA-N 0 0 315.167 4.294 50 0 DIAARN Cc1ccc(-c2ncc(CN(C)[C@H](C)c3cccnc3)s2)o1 ZINC000170594871 197781787 /nfs/dbraw/zinc/78/17/87/197781787.db2.gz UTRSANVIYWDYJO-CYBMUJFWSA-N 0 0 313.426 4.300 50 0 DIAARN CCN(CC)C(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657469 190703252 /nfs/dbraw/zinc/70/32/52/190703252.db2.gz SNOCGFNDNUVXEW-UHFFFAOYSA-N 0 0 312.438 4.238 50 0 DIAARN Cc1ccoc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000068774400 190781974 /nfs/dbraw/zinc/78/19/74/190781974.db2.gz HEDBNIWNNWYBRB-UHFFFAOYSA-N 0 0 316.357 4.187 50 0 DIAARN Cc1csc(C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000069740532 190811409 /nfs/dbraw/zinc/81/14/09/190811409.db2.gz HMHFKXCMBTUNCS-UHFFFAOYSA-N 0 0 314.454 4.088 50 0 DIAARN C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000069848916 190829432 /nfs/dbraw/zinc/82/94/32/190829432.db2.gz PFGVITSCNSIOBD-KXBFYZLASA-N 0 0 323.440 4.325 50 0 DIAARN O=C(NCc1ccccc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343970 192150267 /nfs/dbraw/zinc/15/02/67/192150267.db2.gz VRNGUAWVAIAHOW-JKSUJKDBSA-N 0 0 320.219 4.413 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)NC[C@H](O)C2CCCCC2)cc1 ZINC000070636824 190909177 /nfs/dbraw/zinc/90/91/77/190909177.db2.gz SWDFVHMJGJRIQP-KRWDZBQOSA-N 0 0 318.461 4.047 50 0 DIAARN FC(F)(F)Sc1ccccc1NCc1nc(C2CC2)no1 ZINC000071185085 190938057 /nfs/dbraw/zinc/93/80/57/190938057.db2.gz LDDVCBMWNSFKNX-UHFFFAOYSA-N 0 0 315.320 4.171 50 0 DIAARN O=C(CCc1nc2ccccc2s1)Nc1ccc2[nH]ccc2c1 ZINC000071288772 190953324 /nfs/dbraw/zinc/95/33/24/190953324.db2.gz PFORMUGJXWVEAE-UHFFFAOYSA-N 0 0 321.405 4.349 50 0 DIAARN FC(F)(F)CCc1ccnc(NCc2cc3ccccc3[nH]2)n1 ZINC000071735545 191018523 /nfs/dbraw/zinc/01/85/23/191018523.db2.gz WYRSNXCWDIPSKS-UHFFFAOYSA-N 0 0 320.318 4.065 50 0 DIAARN Cc1ccc(-c2ccnc(N[C@@H](C)c3ncccc3C)n2)c(C)n1 ZINC000071746228 191019692 /nfs/dbraw/zinc/01/96/92/191019692.db2.gz AMGBCNGJWKNMQD-HNNXBMFYSA-N 0 0 319.412 4.032 50 0 DIAARN Cc1nc(-c2ccc(-n3ccnc3C3CCCCC3)cc2)n[nH]1 ZINC000071759321 191025726 /nfs/dbraw/zinc/02/57/26/191025726.db2.gz OZRUVFQYQKBCFB-UHFFFAOYSA-N 0 0 307.401 4.014 50 0 DIAARN Cc1ccsc1-c1nccn1C[C@H]1OCCc2ccccc21 ZINC000071763397 191027463 /nfs/dbraw/zinc/02/74/63/191027463.db2.gz WMOLUGJSIHXUJB-MRXNPFEDSA-N 0 0 310.422 4.234 50 0 DIAARN Cc1cccc([C@](C)(O)[C@H](c2ccccc2)c2ccccn2)c1 ZINC000071767184 191028752 /nfs/dbraw/zinc/02/87/52/191028752.db2.gz RXYOTUWUHOVUOS-RTWAWAEBSA-N 0 0 303.405 4.430 50 0 DIAARN COc1ccc([C@@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000071770113 191029946 /nfs/dbraw/zinc/02/99/46/191029946.db2.gz BXKIRTKHKOFCQJ-LEWJYISDSA-N 0 0 319.404 4.130 50 0 DIAARN CC(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1 ZINC000072115824 191037467 /nfs/dbraw/zinc/03/74/67/191037467.db2.gz HAXYININVCEBRK-OAHLLOKOSA-N 0 0 311.429 4.236 50 0 DIAARN CCc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000072117433 191038780 /nfs/dbraw/zinc/03/87/80/191038780.db2.gz FMDSEVFAKZKZRH-MRXNPFEDSA-N 0 0 309.413 4.035 50 0 DIAARN C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072122444 191039677 /nfs/dbraw/zinc/03/96/77/191039677.db2.gz GQWFOELNNKDAQB-QCUIPMNBSA-N 0 0 321.420 4.278 50 0 DIAARN c1[nH]c(CC2CCCC2)nc1CN1CCCC[C@H]1c1ccccn1 ZINC000072124172 191041210 /nfs/dbraw/zinc/04/12/10/191041210.db2.gz GJLDSBOSCCPFLH-IBGZPJMESA-N 0 0 324.472 4.265 50 0 DIAARN Cc1ccsc1-c1nccn1Cc1cc(-c2cccnc2)no1 ZINC000072145995 191053051 /nfs/dbraw/zinc/05/30/51/191053051.db2.gz SNKLVWGOKYWUCW-UHFFFAOYSA-N 0 0 322.393 4.018 50 0 DIAARN Oc1ccc(-c2nccn2-c2cccc3cnccc32)cc1Cl ZINC000072147797 191053128 /nfs/dbraw/zinc/05/31/28/191053128.db2.gz OFNRYPMGJAUUFG-UHFFFAOYSA-N 0 0 321.767 4.447 50 0 DIAARN COc1cc(C)c(-c2nccn2[C@H](C)c2ccc(C)nc2)cc1C ZINC000072148785 191054809 /nfs/dbraw/zinc/05/48/09/191054809.db2.gz OVINYAJGQBUUAD-MRXNPFEDSA-N 0 0 321.424 4.488 50 0 DIAARN Clc1cccc2ccc(-c3nccn3-c3cccnc3)nc12 ZINC000072148392 191054885 /nfs/dbraw/zinc/05/48/85/191054885.db2.gz QTFMDVQIQJEHET-UHFFFAOYSA-N 0 0 306.756 4.136 50 0 DIAARN Clc1nc(Cl)c2cc(Br)c(Cl)cc2n1 ZINC000140012480 186025587 /nfs/dbraw/zinc/02/55/87/186025587.db2.gz JYDYPKQCICPGSM-UHFFFAOYSA-N 0 0 312.381 4.353 50 0 DIAARN OCc1cccc(-c2cc(NC3CCCC3)nc3[nH]ccc32)c1 ZINC000072166843 191066537 /nfs/dbraw/zinc/06/65/37/191066537.db2.gz 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/nfs/dbraw/zinc/02/44/27/181024427.db2.gz PBNXXMAKKIHORE-UHFFFAOYSA-N 0 0 317.698 4.007 50 0 DIAARN CCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OC ZINC000003482110 181025218 /nfs/dbraw/zinc/02/52/18/181025218.db2.gz KVKLZFZRHXEVTI-UHFFFAOYSA-N 0 0 313.397 4.353 50 0 DIAARN c1ccc2sc(CSc3ccc4c(c3)OCCO4)nc2c1 ZINC000003489363 181025605 /nfs/dbraw/zinc/02/56/05/181025605.db2.gz CSRHUUVWTQCXKY-UHFFFAOYSA-N 0 0 315.419 4.360 50 0 DIAARN CCSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1 ZINC000003487724 181025633 /nfs/dbraw/zinc/02/56/33/181025633.db2.gz RRPSFJRGIRJISN-UHFFFAOYSA-N 0 0 310.422 4.060 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000003499433 181026947 /nfs/dbraw/zinc/02/69/47/181026947.db2.gz AVSJERGQKCIKEQ-GFCCVEGCSA-N 0 0 320.845 4.471 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000003499430 181027200 /nfs/dbraw/zinc/02/72/00/181027200.db2.gz AVSJERGQKCIKEQ-LBPRGKRZSA-N 0 0 320.845 4.471 50 0 DIAARN CC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000003504323 181027477 /nfs/dbraw/zinc/02/74/77/181027477.db2.gz AYJFUSZJEAZKAU-UHFFFAOYSA-N 0 0 319.360 4.060 50 0 DIAARN CC(C)Cc1ccc([C@@H](C)NC(=O)COc2ccccc2)cc1 ZINC000003515508 181029502 /nfs/dbraw/zinc/02/95/02/181029502.db2.gz WNAPOEICKCZABP-MRXNPFEDSA-N 0 0 311.425 4.141 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccccc1Br ZINC000003556169 181034086 /nfs/dbraw/zinc/03/40/86/181034086.db2.gz DSQXFDPDIGRXFE-UHFFFAOYSA-N 0 0 316.198 4.190 50 0 DIAARN CCCCCc1nnc(NC(=O)/C=C/c2cccc(F)c2)s1 ZINC000003557753 181034678 /nfs/dbraw/zinc/03/46/78/181034678.db2.gz ZPSYIRDRSXOJFB-MDZDMXLPSA-N 0 0 319.405 4.062 50 0 DIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000003560945 181034739 /nfs/dbraw/zinc/03/47/39/181034739.db2.gz KETOFGJZVGZXDM-UHFFFAOYSA-N 0 0 315.678 4.491 50 0 DIAARN COc1ccc2c(CC(=O)Nc3cc(F)ccc3C)coc2c1 ZINC000003566267 181035852 /nfs/dbraw/zinc/03/58/52/181035852.db2.gz SUTRBCFCMGEQEP-UHFFFAOYSA-N 0 0 313.328 4.070 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1 ZINC000003566732 181035876 /nfs/dbraw/zinc/03/58/76/181035876.db2.gz WATCADPIMYSMDH-UHFFFAOYSA-N 0 0 318.298 4.368 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2cccc(Br)c2)c1 ZINC000003565998 181036046 /nfs/dbraw/zinc/03/60/46/181036046.db2.gz WUSABNVWSIECFC-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000003577862 181036841 /nfs/dbraw/zinc/03/68/41/181036841.db2.gz JSUXZJFQOJYEQD-UHFFFAOYSA-N 0 0 308.208 4.161 50 0 DIAARN CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000003598087 181038501 /nfs/dbraw/zinc/03/85/01/181038501.db2.gz WEXVNVPCHHJZFN-UHFFFAOYSA-N 0 0 322.191 4.377 50 0 DIAARN O=C(/C=C/c1cccc(Br)c1)NC1CCCCCC1 ZINC000003602933 181039004 /nfs/dbraw/zinc/03/90/04/181039004.db2.gz ASYGEDNVHSVFTP-ZHACJKMWSA-N 0 0 322.246 4.301 50 0 DIAARN Cc1ccc(NC(=O)c2cccc(F)c2)c(Br)c1 ZINC000003603707 181039096 /nfs/dbraw/zinc/03/90/96/181039096.db2.gz RLAGAVNULGFFTB-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000003601579 181039129 /nfs/dbraw/zinc/03/91/29/181039129.db2.gz MVOPTMKNZYAAKA-UHFFFAOYSA-N 0 0 301.361 4.141 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1 ZINC000003538431 181031298 /nfs/dbraw/zinc/03/12/98/181031298.db2.gz JMUAUYYVUJHCKE-UHFFFAOYSA-N 0 0 321.405 4.349 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2C[C@@H]1C ZINC000003536916 181031476 /nfs/dbraw/zinc/03/14/76/181031476.db2.gz HTSIBWPMIFIITB-LBPRGKRZSA-N 0 0 314.816 4.038 50 0 DIAARN CCc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000003611740 181040691 /nfs/dbraw/zinc/04/06/91/181040691.db2.gz CSYLJZMRZJVLAG-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN C[C@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000003614437 181041264 /nfs/dbraw/zinc/04/12/64/181041264.db2.gz RLQYROREJCOKGN-JTQLQIEISA-N 0 0 322.177 4.079 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1 ZINC000003614440 181041374 /nfs/dbraw/zinc/04/13/74/181041374.db2.gz RLQYROREJCOKGN-SNVBAGLBSA-N 0 0 322.177 4.079 50 0 DIAARN S=C(Nc1ccccc1)N1CCS[C@H]1c1cccs1 ZINC000003628889 181042829 /nfs/dbraw/zinc/04/28/29/181042829.db2.gz PNCZYWBGCGWAFG-ZDUSSCGKSA-N 0 0 306.481 4.193 50 0 DIAARN Cc1ccc(N(C)C(=O)Oc2cccc3ccc(C)nc32)cc1 ZINC000003646235 181043622 /nfs/dbraw/zinc/04/36/22/181043622.db2.gz MWIGRGMJHVFEFD-UHFFFAOYSA-N 0 0 306.365 4.487 50 0 DIAARN CC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2C)cc1 ZINC000003605634 181039734 /nfs/dbraw/zinc/03/97/34/181039734.db2.gz ZEJBWVODGPGQHO-UHFFFAOYSA-N 0 0 313.422 4.237 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Cl ZINC000003608442 181039981 /nfs/dbraw/zinc/03/99/81/181039981.db2.gz LNXSEAPJKSLJNQ-UHFFFAOYSA-N 0 0 312.800 4.070 50 0 DIAARN CCCCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 ZINC000003893229 181053143 /nfs/dbraw/zinc/05/31/43/181053143.db2.gz FTTZUHQKMYGEBP-UHFFFAOYSA-N 0 0 315.442 4.056 50 0 DIAARN CCCOc1cc(OCCC)c2c(c1)oc(=O)c1c2CCCC1 ZINC000003892464 181053161 /nfs/dbraw/zinc/05/31/61/181053161.db2.gz GHGNPJCTISVLID-UHFFFAOYSA-N 0 0 316.397 4.249 50 0 DIAARN COc1ccccc1/C=C/c1nc2cc(Cl)ccc2c(=O)o1 ZINC000003899909 181054266 /nfs/dbraw/zinc/05/42/66/181054266.db2.gz QGQOKGLLQTXRJD-RMKNXTFCSA-N 0 0 313.740 4.020 50 0 DIAARN O=C(NC1CCCCC1)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908238 181056504 /nfs/dbraw/zinc/05/65/04/181056504.db2.gz PXEIUIZKDTYOGF-UHFFFAOYSA-N 0 0 304.777 4.058 50 0 DIAARN CC(=O)OCCCC[C@@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 ZINC000004027090 181063308 /nfs/dbraw/zinc/06/33/08/181063308.db2.gz RTYPTTJEBODVCN-VJANTYMQSA-N 0 0 306.446 4.404 50 0 biogenic DIAARN CSC1=NC(C)(C)C=C(C=Cc2ccc(F)cc2Cl)N1 ZINC000004039834 181065700 /nfs/dbraw/zinc/06/57/00/181065700.db2.gz JXZAKXRFKDMKAG-FNORWQNLSA-N 0 0 310.825 4.477 50 0 DIAARN O=C1Nc2ccccc2/C1=C/c1ccc(OC(F)(F)F)cc1 ZINC000004051273 181066481 /nfs/dbraw/zinc/06/64/81/181066481.db2.gz FJIYKLPGIXVSJX-LCYFTJDESA-N 0 0 305.255 4.078 50 0 DIAARN CCCC[C@]1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O ZINC000003958066 181059583 /nfs/dbraw/zinc/05/95/83/181059583.db2.gz IBWJDUSJMNJWNJ-HXUWFJFHSA-N 0 0 307.393 4.241 50 0 DIAARN Cc1nc2cc(C)ccn2c1C(=O)CSc1ccccc1C ZINC000004003155 181061592 /nfs/dbraw/zinc/06/15/92/181061592.db2.gz VHIVBFLFVBVUMC-UHFFFAOYSA-N 0 0 310.422 4.235 50 0 DIAARN O=C(Nc1ccc(Br)cc1)c1ccccc1Cl ZINC000004010649 181062153 /nfs/dbraw/zinc/06/21/53/181062153.db2.gz KQUDDBZEDXTSPT-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 in-vitro DIAARN CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004012028 181062231 /nfs/dbraw/zinc/06/22/31/181062231.db2.gz PNVTUUXIYLXHER-UHFFFAOYSA-N 0 0 319.408 4.069 50 0 DIAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2ccccc2c1 ZINC000004089181 181071711 /nfs/dbraw/zinc/07/17/11/181071711.db2.gz RWHHZNGGEAIUER-UHFFFAOYSA-N 0 0 320.417 4.275 50 0 DIAARN O=C(NCCc1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000004107009 181074143 /nfs/dbraw/zinc/07/41/43/181074143.db2.gz XOOBEYDFZRCLSE-UHFFFAOYSA-N 0 0 313.400 4.158 50 0 DIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N[C@@H]2CCCC[C@H]32)cc1 ZINC000004053778 181067062 /nfs/dbraw/zinc/06/70/62/181067062.db2.gz LBDJUXTWZRBICZ-SJLPKXTDSA-N 0 0 322.408 4.399 50 0 DIAARN CC(C)(C)SCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004109901 181074624 /nfs/dbraw/zinc/07/46/24/181074624.db2.gz FGILAEGAWFVKMH-UHFFFAOYSA-N 0 0 320.380 4.359 50 0 DIAARN CCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 ZINC000004079103 181070300 /nfs/dbraw/zinc/07/03/00/181070300.db2.gz RUIIUYVHVWKOSH-UHFFFAOYSA-N 0 0 315.423 4.056 50 0 DIAARN O=c1oc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000004111112 181074689 /nfs/dbraw/zinc/07/46/89/181074689.db2.gz FKJUVTXLXLHAKH-UHFFFAOYSA-N 0 0 303.770 4.059 50 0 DIAARN COc1cc2c(cc1OC)-c1cc(-c3ccccc3)cn1CC2 ZINC000004084644 181070908 /nfs/dbraw/zinc/07/09/08/181070908.db2.gz ZFHIWADTJXSVRE-UHFFFAOYSA-N 0 0 305.377 4.395 50 0 biogenic DIAARN CCCCC(=O)Nc1nc2ccc3sc(C)nc3c2s1 ZINC000004173984 181081671 /nfs/dbraw/zinc/08/16/71/181081671.db2.gz RVOAKXBUTGRMRI-UHFFFAOYSA-N 0 0 305.428 4.343 50 0 DIAARN CCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 ZINC000004181461 181082522 /nfs/dbraw/zinc/08/25/22/181082522.db2.gz BPPQKLJFOVTILG-UHFFFAOYSA-N 0 0 322.474 4.025 50 0 DIAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 ZINC000004133105 181077586 /nfs/dbraw/zinc/07/75/86/181077586.db2.gz PMCPFDDYQLLDOP-ICSRJNTNSA-N 0 0 322.408 4.221 50 0 DIAARN Cc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000004138183 181078051 /nfs/dbraw/zinc/07/80/51/181078051.db2.gz QWCYWRCXVGXPRR-UHFFFAOYSA-N 0 0 318.420 4.285 50 0 DIAARN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000004166447 181080808 /nfs/dbraw/zinc/08/08/08/181080808.db2.gz KDPQTPZDVJHMET-GNBUJSLZSA-N 0 0 312.409 4.037 50 0 in-vitro DIAARN Cc1cccc(CSCCNC(=O)c2ccc(Cl)cc2)c1 ZINC000004168007 181081067 /nfs/dbraw/zinc/08/10/67/181081067.db2.gz KYFQUQVHLJHXJT-UHFFFAOYSA-N 0 0 319.857 4.312 50 0 DIAARN CO[C@]1(C)C[C@H](c2ccccc2)c2c(=O)oc3ccccc3c2O1 ZINC000004212731 181085351 /nfs/dbraw/zinc/08/53/51/181085351.db2.gz ZGFASEKBKWVCGP-QRWLVFNGSA-N 0 0 322.360 4.070 50 0 in-man DIAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 ZINC000004306604 181094970 /nfs/dbraw/zinc/09/49/70/181094970.db2.gz NHQSOXOEHORKFB-INIZCTEOSA-N 0 0 320.348 4.173 50 0 DIAARN O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1F ZINC000004263382 181089160 /nfs/dbraw/zinc/08/91/60/181089160.db2.gz AOGLGFWRFTWIRI-UHFFFAOYSA-N 0 0 301.704 4.247 50 0 DIAARN CCc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 ZINC000004271861 181090873 /nfs/dbraw/zinc/09/08/73/181090873.db2.gz NXEWJJHTXVQUNZ-UHFFFAOYSA-N 0 0 307.422 4.393 50 0 DIAARN Cc1ccc(OCCOC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000004286415 181092836 /nfs/dbraw/zinc/09/28/36/181092836.db2.gz HYIQBQABFSRSJW-UHFFFAOYSA-N 0 0 323.392 4.031 50 0 DIAARN COc1ccc(C)c2sc(NC(=O)c3cccc(F)c3)nc21 ZINC000004330856 181098556 /nfs/dbraw/zinc/09/85/56/181098556.db2.gz NSQULECHNYWABJ-UHFFFAOYSA-N 0 0 316.357 4.005 50 0 DIAARN COc1cccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000004330898 181098722 /nfs/dbraw/zinc/09/87/22/181098722.db2.gz DEIUUNSQPQYCLV-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN CCCCSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341632 181099791 /nfs/dbraw/zinc/09/97/91/181099791.db2.gz ODMFWTWLTDDLJK-UHFFFAOYSA-N 0 0 318.833 4.361 50 0 DIAARN Cc1nnc(SCc2ccc(F)c(F)c2)n1-c1ccccc1 ZINC000004356202 181101625 /nfs/dbraw/zinc/10/16/25/181101625.db2.gz ANQSQFRQGGHZDQ-UHFFFAOYSA-N 0 0 317.364 4.146 50 0 DIAARN CCn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O ZINC000004363277 181102366 /nfs/dbraw/zinc/10/23/66/181102366.db2.gz WDAGXHGFHWUQAP-VAWYXSNFSA-N 0 0 310.784 4.240 50 0 DIAARN CCOc1ccc(Br)cc1CNc1ccccc1 ZINC000004364688 181102382 /nfs/dbraw/zinc/10/23/82/181102382.db2.gz SNDFPSOYSFDSAN-UHFFFAOYSA-N 0 0 306.203 4.460 50 0 DIAARN CCSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 ZINC000004365788 181102691 /nfs/dbraw/zinc/10/26/91/181102691.db2.gz YIQFFSIUHJTKHN-UHFFFAOYSA-N 0 0 309.438 4.279 50 0 DIAARN CCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000004385585 181105204 /nfs/dbraw/zinc/10/52/04/181105204.db2.gz FEKRAAFGAUGVTA-UHFFFAOYSA-N 0 0 310.397 4.054 50 0 DIAARN COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000004458711 181110492 /nfs/dbraw/zinc/11/04/92/181110492.db2.gz QIOJWTJKSACZQN-LJQANCHMSA-N 0 0 305.381 4.148 50 0 DIAARN 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CC[C@@H](C)[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000007305809 181452723 /nfs/dbraw/zinc/45/27/23/181452723.db2.gz MCAOELKIXCXSQQ-DNVCBOLYSA-N 0 0 311.425 4.141 50 0 DIAARN Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1C ZINC000007364372 181457499 /nfs/dbraw/zinc/45/74/99/181457499.db2.gz LSVHRSMKRQSCJO-LJQANCHMSA-N 0 0 306.409 4.341 50 0 DIAARN CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007225117 181448021 /nfs/dbraw/zinc/44/80/21/181448021.db2.gz WJDHWCAUWRQVRT-ZDUSSCGKSA-N 0 0 300.377 4.388 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)c1cc2c(s1)CCCC2 ZINC000007608622 181478910 /nfs/dbraw/zinc/47/89/10/181478910.db2.gz SBKKFWVEMHGQAZ-UHFFFAOYSA-N 0 0 305.830 4.210 50 0 DIAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H](O)CC)cc1 ZINC000007547885 181474711 /nfs/dbraw/zinc/47/47/11/181474711.db2.gz FSYLTZILMORDEW-IBGZPJMESA-N 0 0 324.424 4.121 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CCCc1cccs1 ZINC000007655537 181483234 /nfs/dbraw/zinc/48/32/34/181483234.db2.gz FBAGMSVEVREQKY-UHFFFAOYSA-N 0 0 309.818 4.372 50 0 DIAARN CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000007660323 181484512 /nfs/dbraw/zinc/48/45/12/181484512.db2.gz XPNQJCSUADPQJO-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN CCC(C)(C)C1CCC(NC(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093906032 193326465 /nfs/dbraw/zinc/32/64/65/193326465.db2.gz SCNFPCFNMYBSPS-JCAIJIATSA-N 0 0 309.494 4.301 50 0 DIAARN Cc1ccc(OC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1C ZINC000095350021 193425318 /nfs/dbraw/zinc/42/53/18/193425318.db2.gz SNTFNOGSIFJDEK-RDTXWAMCSA-N 0 0 323.392 4.117 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1C ZINC000007756715 181493078 /nfs/dbraw/zinc/49/30/78/181493078.db2.gz PVVVUICCIPYINW-TZMCWYRMSA-N 0 0 300.427 4.330 50 0 DIAARN O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccc1F ZINC000007755106 181493096 /nfs/dbraw/zinc/49/30/96/181493096.db2.gz JLGFFIUNYCPHKF-UHFFFAOYSA-N 0 0 323.367 4.335 50 0 DIAARN CC(C)c1cnc(SCc2nnc(C(C)C)n2C)n1C(C)C ZINC000095960730 193460185 /nfs/dbraw/zinc/46/01/85/193460185.db2.gz IBGXSELCISMGBL-UHFFFAOYSA-N 0 0 321.494 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/nfs/dbraw/zinc/30/69/00/205306900.db2.gz YHXRXZXOOOOVKL-UHFFFAOYSA-N 0 0 316.445 4.235 50 0 DIAARN CC(=O)c1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000016467756 182045718 /nfs/dbraw/zinc/04/57/18/182045718.db2.gz SKBTUBMWZXNCTR-UHFFFAOYSA-N 0 0 321.298 4.089 50 0 DIAARN Cc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)no1 ZINC000016602537 182051997 /nfs/dbraw/zinc/05/19/97/182051997.db2.gz DKSOWODNOSBPAK-UHFFFAOYSA-N 0 0 316.401 4.077 50 0 DIAARN CCCNC(=O)c1ccccc1OCc1ccccc1Cl ZINC000016639681 182054981 /nfs/dbraw/zinc/05/49/81/182054981.db2.gz MPMINASLRGWDRD-UHFFFAOYSA-N 0 0 303.789 4.059 50 0 DIAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(C)ccc1C ZINC000016625416 182054246 /nfs/dbraw/zinc/05/42/46/182054246.db2.gz UYGZNSISNDFFBG-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CC(C)C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000016806588 182061074 /nfs/dbraw/zinc/06/10/74/182061074.db2.gz XTUGORDVRSUOIL-UHFFFAOYSA-N 0 0 313.788 4.249 50 0 DIAARN CCOC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000016678746 182057220 /nfs/dbraw/zinc/05/72/20/182057220.db2.gz XJSLIJXHNXGMOL-UHFFFAOYSA-N 0 0 302.182 4.294 50 0 DIAARN CCOC(=O)c1csc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000016678744 182057486 /nfs/dbraw/zinc/05/74/86/182057486.db2.gz HVMLDBROWJVLEG-UHFFFAOYSA-N 0 0 302.182 4.294 50 0 DIAARN CC(C)Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000017045072 182070959 /nfs/dbraw/zinc/07/09/59/182070959.db2.gz ZRLBTUBTKWVWRG-UHFFFAOYSA-N 0 0 310.810 4.034 50 0 DIAARN C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000017031466 182069329 /nfs/dbraw/zinc/06/93/29/182069329.db2.gz NKTMGWPQYATAOO-SNVBAGLBSA-N 0 0 306.818 4.042 50 0 DIAARN COc1cccc(-c2nn(C)c(-c3cccc(OC)c3)c2C)c1 ZINC000017031731 182069971 /nfs/dbraw/zinc/06/99/71/182069971.db2.gz OJTRWVVFLOJMKD-UHFFFAOYSA-N 0 0 308.381 4.080 50 0 DIAARN CCn1c(=S)[nH]nc1[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000017032396 182069993 /nfs/dbraw/zinc/06/99/93/182069993.db2.gz HZZZPAHRNCNECH-SNVBAGLBSA-N 0 0 311.838 4.371 50 0 DIAARN O=C(NCc1ccccn1)c1cc2sc3ccccc3c2s1 ZINC000017167932 182078057 /nfs/dbraw/zinc/07/80/57/182078057.db2.gz IEQWDBZKOLGXQO-UHFFFAOYSA-N 0 0 324.430 4.441 50 0 DIAARN CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000017054487 182071924 /nfs/dbraw/zinc/07/19/24/182071924.db2.gz UBDOXXWEGROOKO-SSDOTTSWSA-N 0 0 318.229 4.407 50 0 DIAARN CCc1cc2c([nH]c(=S)n(-c3ccc(C)cc3C)c2=O)s1 ZINC000017054038 182071950 /nfs/dbraw/zinc/07/19/50/182071950.db2.gz CUFMECIEWLAZLY-UHFFFAOYSA-N 0 0 316.451 4.289 50 0 DIAARN CC(=O)c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 ZINC000017066503 182074298 /nfs/dbraw/zinc/07/42/98/182074298.db2.gz BWVSOBQDKKGKSR-SFHVURJKSA-N 0 0 324.449 4.253 50 0 DIAARN Cc1ccsc1CN(C)C(=O)NCCc1ccc(Cl)cc1 ZINC000017112559 182075454 /nfs/dbraw/zinc/07/54/54/182075454.db2.gz RCJMNTYCNBLGRR-UHFFFAOYSA-N 0 0 322.861 4.094 50 0 DIAARN CN(Cc1ccsc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017113841 182075565 /nfs/dbraw/zinc/07/55/65/182075565.db2.gz HQMGWKHDCYBHNT-UHFFFAOYSA-N 0 0 318.486 4.106 50 0 DIAARN C[C@H](NC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000017115582 182075636 /nfs/dbraw/zinc/07/56/36/182075636.db2.gz QKXHKODJUGBYBO-LBPRGKRZSA-N 0 0 322.330 4.266 50 0 DIAARN c1sc(Nc2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000017729198 182085091 /nfs/dbraw/zinc/08/50/91/182085091.db2.gz YGXFMZLEGMXFKD-UHFFFAOYSA-N 0 0 310.378 4.325 50 0 DIAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1cccs1 ZINC000017909532 182087479 /nfs/dbraw/zinc/08/74/79/182087479.db2.gz DLZPWSNDMWTWJK-UHFFFAOYSA-N 0 0 321.445 4.317 50 0 DIAARN CCCN(CCC)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000017271705 182081183 /nfs/dbraw/zinc/08/11/83/182081183.db2.gz MGIAJZSCNPODRR-UHFFFAOYSA-N 0 0 323.444 4.059 50 0 in-vitro DIAARN C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1Cl ZINC000017907947 182087575 /nfs/dbraw/zinc/08/75/75/182087575.db2.gz JPBBNVNLHXCXJY-GFCCVEGCSA-N 0 0 310.784 4.379 50 0 DIAARN CCn1ncc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1C ZINC000018100186 182093422 /nfs/dbraw/zinc/09/34/22/182093422.db2.gz WTJMKYLMMVVQNQ-KOCGSPDRSA-N 0 0 315.461 4.147 50 0 DIAARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000018008908 182089756 /nfs/dbraw/zinc/08/97/56/182089756.db2.gz MAFCXNBNQOWYBT-UHFFFAOYSA-N 0 0 324.811 4.403 50 0 DIAARN Cc1ccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000018243895 182100919 /nfs/dbraw/zinc/10/09/19/182100919.db2.gz NNTFSKVPDHOQGX-NEWSRXKRSA-N 0 0 319.404 4.068 50 0 DIAARN Cc1cc(C)c(C)c(SCc2cc(=O)n3ccccc3n2)c1C ZINC000018359228 182101983 /nfs/dbraw/zinc/10/19/83/182101983.db2.gz QUUQJEYWZILDAQ-UHFFFAOYSA-N 0 0 324.449 4.220 50 0 DIAARN CCc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 ZINC000018941338 182103388 /nfs/dbraw/zinc/10/33/88/182103388.db2.gz NXBDIABOGWPWSD-UHFFFAOYSA-N 0 0 321.405 4.209 50 0 DIAARN COc1ccccc1NC(=O)Nc1ccc(Br)cc1 ZINC000018176730 182096240 /nfs/dbraw/zinc/09/62/40/182096240.db2.gz ILHQMGVRJQQOSY-UHFFFAOYSA-N 0 0 321.174 4.102 50 0 DIAARN Cc1ccc(NC(=O)NCCSCc2ccsc2)cc1 ZINC000018177418 182096455 /nfs/dbraw/zinc/09/64/55/182096455.db2.gz MBCJVAVEFFSHIV-UHFFFAOYSA-N 0 0 306.456 4.111 50 0 DIAARN CCn1ccnc1Cn1ccc(-c2cccc(-c3ccoc3)c2)n1 ZINC000019219222 182107959 /nfs/dbraw/zinc/10/79/59/182107959.db2.gz RSZGBFUENVNJAD-UHFFFAOYSA-N 0 0 318.380 4.075 50 0 DIAARN C[C@@H](O)Cn1ccc(-c2cccc(-c3ccc4occc4c3)c2)n1 ZINC000019227274 182108811 /nfs/dbraw/zinc/10/88/11/182108811.db2.gz VZGPVKXSSWDFOG-CQSZACIVSA-N 0 0 318.376 4.344 50 0 DIAARN COc1ccc([C@@H](NC(=O)CCc2ccccc2)C(C)C)cc1 ZINC000019310796 182114203 /nfs/dbraw/zinc/11/42/03/182114203.db2.gz CTLDDLXHUPVDJQ-FQEVSTJZSA-N 0 0 311.425 4.141 50 0 DIAARN c1csc(Cc2noc(CCCc3c[nH]c4ccccc34)n2)c1 ZINC000019720400 182138740 /nfs/dbraw/zinc/13/87/40/182138740.db2.gz YZRYCINHVJCUIZ-UHFFFAOYSA-N 0 0 323.421 4.379 50 0 DIAARN Fc1ccccc1COc1ccc(CNc2ccccn2)cc1 ZINC000019772656 182145114 /nfs/dbraw/zinc/14/51/14/182145114.db2.gz CZYVXYUWRFDCLS-UHFFFAOYSA-N 0 0 308.356 4.412 50 0 DIAARN CCCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 ZINC000019736107 182140373 /nfs/dbraw/zinc/14/03/73/182140373.db2.gz FLHWDUOYSZNQSP-UHFFFAOYSA-N 0 0 312.413 4.399 50 0 DIAARN COc1ccccc1O[C@H](C)CNc1cccc(OC(C)C)c1 ZINC000019737504 182141128 /nfs/dbraw/zinc/14/11/28/182141128.db2.gz RCXKEZUXLQAROD-OAHLLOKOSA-N 0 0 315.413 4.362 50 0 DIAARN CC[C@@H](CNc1cc(OC)ccc1OC)Oc1ccc(C)cc1 ZINC000019737815 182141466 /nfs/dbraw/zinc/14/14/66/182141466.db2.gz VKDHWOYYHRKIGL-HNNXBMFYSA-N 0 0 315.413 4.282 50 0 DIAARN Nc1c(Cl)c(Cl)nc(C(Cl)(Cl)Cl)c1Cl ZINC000019791600 182149397 /nfs/dbraw/zinc/14/93/97/182149397.db2.gz VNJVZJNBTWPKNX-UHFFFAOYSA-N 0 0 314.814 4.451 50 0 DIAARN COc1ccc(-c2cn3c(n2)COc2ccc(Cl)cc2-3)cc1 ZINC000019926425 182164977 /nfs/dbraw/zinc/16/49/77/182164977.db2.gz LQCPCANQXBDSND-UHFFFAOYSA-N 0 0 312.756 4.094 50 0 DIAARN Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(Cl)cc2)s1 ZINC000019927585 182165048 /nfs/dbraw/zinc/16/50/48/182165048.db2.gz IDPMIYRZFADNIZ-NOZJJQNGSA-N 0 0 324.858 4.272 50 0 DIAARN COc1ccccc1[C@@H]1SCC(=O)N1c1cc(C)cc(C)c1 ZINC000019927236 182165086 /nfs/dbraw/zinc/16/50/86/182165086.db2.gz GTGKGDPHZCPHOM-SFHVURJKSA-N 0 0 313.422 4.091 50 0 DIAARN CCc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000019926891 182165120 /nfs/dbraw/zinc/16/51/20/182165120.db2.gz QVTUCTPSEXSQJF-QGZVFWFLSA-N 0 0 301.386 4.167 50 0 DIAARN Cc1cc(OCc2nc(Cc3cccs3)no2)ccc1Cl ZINC000019854197 182157030 /nfs/dbraw/zinc/15/70/30/182157030.db2.gz DXPHRUJXQKOART-UHFFFAOYSA-N 0 0 320.801 4.263 50 0 DIAARN CCCCCn1c2ccccc2n(CCOc2ccccc2)c1=N ZINC000019900369 182161491 /nfs/dbraw/zinc/16/14/91/182161491.db2.gz NOERJGNUWOHOTO-UHFFFAOYSA-N 0 0 323.440 4.191 50 0 DIAARN Cc1nc2ccccc2n(Cc2c(Cl)cccc2Cl)c1=O ZINC000020031638 182181299 /nfs/dbraw/zinc/18/12/99/182181299.db2.gz NWEXUHWAUMRDER-UHFFFAOYSA-N 0 0 319.191 4.060 50 0 DIAARN CCCc1ccc(C(=O)N2CC[C@@H]2c2cccc(OC)c2)cc1 ZINC000020119449 182189412 /nfs/dbraw/zinc/18/94/12/182189412.db2.gz XGTHCPGMPAEXLN-LJQANCHMSA-N 0 0 309.409 4.235 50 0 DIAARN CCOP(=O)(OCC)[C@H](Nc1ccccn1)c1ccccc1 ZINC000020058705 182184644 /nfs/dbraw/zinc/18/46/44/182184644.db2.gz IHUDGZQJDWGSIJ-INIZCTEOSA-N 0 0 320.329 4.458 50 0 DIAARN Cc1cc(C)n([C@H](Nc2ccc(Cl)cn2)c2ccc(C)o2)n1 ZINC000020076790 182184958 /nfs/dbraw/zinc/18/49/58/182184958.db2.gz QARKXMXIIGXYLS-INIZCTEOSA-N 0 0 316.792 4.109 50 0 DIAARN Fc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1ccccc1O2 ZINC000020380302 182213060 /nfs/dbraw/zinc/21/30/60/182213060.db2.gz CSSXABPEUYVJQS-UHFFFAOYSA-N 0 0 310.353 4.268 50 0 DIAARN Cc1nc2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2s1 ZINC000020427103 182216266 /nfs/dbraw/zinc/21/62/66/182216266.db2.gz WJINXZWHWDNQOL-LBPRGKRZSA-N 0 0 315.225 4.127 50 0 DIAARN CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000020452409 182218563 /nfs/dbraw/zinc/21/85/63/182218563.db2.gz CIDHPPHYRDKLNV-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN FC(F)(F)[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ccnn21 ZINC000020616524 182239310 /nfs/dbraw/zinc/23/93/10/182239310.db2.gz RHTKMLZRKWAMSH-QWRGUYRKSA-N 0 0 301.699 4.197 50 0 DIAARN CCc1cc(C(F)(F)F)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000020604995 182237236 /nfs/dbraw/zinc/23/72/36/182237236.db2.gz MMBTXJWBQOKADQ-UHFFFAOYSA-N 0 0 323.293 4.449 50 0 DIAARN CCc1cc(C(=O)Nc2nc3ccc(C)cc3s2)cs1 ZINC000020607066 182237835 /nfs/dbraw/zinc/23/78/35/182237835.db2.gz YGQZFSMYBGULDU-UHFFFAOYSA-N 0 0 302.424 4.481 50 0 DIAARN CCOC(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000020902248 182252747 /nfs/dbraw/zinc/25/27/47/182252747.db2.gz MLSIOFAZTYYZBE-UHFFFAOYSA-N 0 0 318.417 4.098 50 0 DIAARN CC[C@H]1CCCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000020851193 182249469 /nfs/dbraw/zinc/24/94/69/182249469.db2.gz JJSWBOMBVKAOMO-KBPBESRZSA-N 0 0 318.461 4.230 50 0 DIAARN O=C(Nc1c[nH]c2ccccc12)c1ccccc1N1CCCC1 ZINC000020865518 182250120 /nfs/dbraw/zinc/25/01/20/182250120.db2.gz ZJUXQCROUCVZTC-UHFFFAOYSA-N 0 0 305.381 4.020 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)Oc3ccccc3C)no2)cc1 ZINC000020896765 182252261 /nfs/dbraw/zinc/25/22/61/182252261.db2.gz UUFMWEALZYJVLC-UHFFFAOYSA-N 0 0 323.348 4.268 50 0 DIAARN Cc1cccc(NC(=O)NCCc2csc3c2CCCC3)c1 ZINC000021088178 182264876 /nfs/dbraw/zinc/26/48/76/182264876.db2.gz DFKOSZWTIWGXGP-UHFFFAOYSA-N 0 0 314.454 4.300 50 0 DIAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000021108365 182265328 /nfs/dbraw/zinc/26/53/28/182265328.db2.gz RBKWEPFTXUUZEX-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN CCCc1nc(SC)ncc1C(=O)Nc1ccc(C)cc1C ZINC000020931826 182255281 /nfs/dbraw/zinc/25/52/81/182255281.db2.gz QXRHQJVMMQNAAB-UHFFFAOYSA-N 0 0 315.442 4.020 50 0 DIAARN O=C(C[C@H](c1cccs1)n1cccc1)Nc1cccc(F)c1 ZINC000020997039 182257973 /nfs/dbraw/zinc/25/79/73/182257973.db2.gz WVFRDDRVGQEEFX-OAHLLOKOSA-N 0 0 314.385 4.307 50 0 DIAARN Cc1cccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)c1 ZINC000020997221 182258024 /nfs/dbraw/zinc/25/80/24/182258024.db2.gz FESGLFIXRVWELF-INIZCTEOSA-N 0 0 310.422 4.476 50 0 DIAARN O=C(C[C@H](c1ccco1)n1cccc1)Nc1ccc(Cl)cc1 ZINC000020997279 182258408 /nfs/dbraw/zinc/25/84/08/182258408.db2.gz CULXVNDBDBJBOA-OAHLLOKOSA-N 0 0 314.772 4.353 50 0 DIAARN CCc1cccc(NC(=O)c2cccc3c2SCCC3=O)c1 ZINC000021103044 182265181 /nfs/dbraw/zinc/26/51/81/182265181.db2.gz ZQOGYBOJOMFDBH-UHFFFAOYSA-N 0 0 311.406 4.180 50 0 DIAARN Nc1c2ccccc2sc1C(=O)Oc1ccc2cnccc2c1 ZINC000021115171 182266129 /nfs/dbraw/zinc/26/61/29/182266129.db2.gz UGUJISBNPCYBJF-UHFFFAOYSA-N 0 0 320.373 4.251 50 0 DIAARN Cc1ccccc1-n1nc2oc3ccc(Cl)cc3cc-2c1=O ZINC000021147722 182266763 /nfs/dbraw/zinc/26/67/63/182266763.db2.gz ZOXALVCWGLLNBM-UHFFFAOYSA-N 0 0 310.740 4.045 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)NCCC3=CCCCC3)cc12 ZINC000021163968 182267526 /nfs/dbraw/zinc/26/75/26/182267526.db2.gz JQADMDPQWAFGPA-UHFFFAOYSA-N 0 0 310.441 4.415 50 0 DIAARN CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000021203793 182268860 /nfs/dbraw/zinc/26/88/60/182268860.db2.gz DNLNBBFQDZTFCU-HNNXBMFYSA-N 0 0 312.800 4.089 50 0 DIAARN Cc1cccc(Nc2ccccc2C(=O)Nc2nncs2)c1C ZINC000021214166 182269467 /nfs/dbraw/zinc/26/94/67/182269467.db2.gz WMXOLEDZISNTMK-UHFFFAOYSA-N 0 0 324.409 4.151 50 0 DIAARN CC(C)c1nnc(SCCOc2ccc(C(C)(C)C)cc2)[nH]1 ZINC000021244638 182270234 /nfs/dbraw/zinc/27/02/34/182270234.db2.gz MMMANZQUYZNPPW-UHFFFAOYSA-N 0 0 319.474 4.397 50 0 DIAARN COc1ccccc1-c1noc2ncnc(NC3CCCCC3)c12 ZINC000021715033 182284785 /nfs/dbraw/zinc/28/47/85/182284785.db2.gz PFLHIEBCMJYYSW-UHFFFAOYSA-N 0 0 324.384 4.038 50 0 DIAARN COc1ccccc1-c1noc2ncnc(Nc3ccccc3)c12 ZINC000021715024 182285033 /nfs/dbraw/zinc/28/50/33/182285033.db2.gz VIGZZKDTHIJCQZ-UHFFFAOYSA-N 0 0 318.336 4.037 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2c(F)cccc2F)no1 ZINC000021719000 182285311 /nfs/dbraw/zinc/28/53/11/182285311.db2.gz JXADKJKKVCDVNQ-CQSZACIVSA-N 0 0 320.339 4.054 50 0 DIAARN CCc1onc(C)c1[C@@H]1CCCN1Cc1cccc(F)c1F ZINC000021720834 182285815 /nfs/dbraw/zinc/28/58/15/182285815.db2.gz APKAYAOPYSPBCR-AWEZNQCLSA-N 0 0 306.356 4.161 50 0 DIAARN O=C(Nc1ccc(F)cc1Cl)c1ncoc1-c1cccs1 ZINC000021641872 182281820 /nfs/dbraw/zinc/28/18/20/182281820.db2.gz MPACQROOHPHUKA-UHFFFAOYSA-N 0 0 322.748 4.448 50 0 DIAARN CCOC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12 ZINC000021650074 182281827 /nfs/dbraw/zinc/28/18/27/182281827.db2.gz XGMBRGALQUZSNM-UHFFFAOYSA-N 0 0 322.364 4.164 50 0 DIAARN Cc1nnc2c(SCc3cccc(F)c3)nc3ccccc3n12 ZINC000021658009 182282719 /nfs/dbraw/zinc/28/27/19/182282719.db2.gz DWMOHTWXBNPSBR-UHFFFAOYSA-N 0 0 324.384 4.017 50 0 DIAARN CCc1cc2c(ncnc2Nc2cc(OC)cc(OC)c2)s1 ZINC000021651704 182282920 /nfs/dbraw/zinc/28/29/20/182282920.db2.gz MVIJSRKTCYBANY-UHFFFAOYSA-N 0 0 315.398 4.015 50 0 DIAARN CSc1ccc(CN2Cc3ccccc3NC2=S)cc1 ZINC000021658458 182282953 /nfs/dbraw/zinc/28/29/53/182282953.db2.gz QAZMDNBGYWNNTA-UHFFFAOYSA-N 0 0 300.452 4.121 50 0 DIAARN CC[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000021705667 182283956 /nfs/dbraw/zinc/28/39/56/182283956.db2.gz HEVSGXACPLJNIY-KRWDZBQOSA-N 0 0 307.437 4.028 50 0 DIAARN O=C(Oc1ccc2ccccc2c1)c1cccnc1N1CCCC1 ZINC000021763087 182287961 /nfs/dbraw/zinc/28/79/61/182287961.db2.gz HKXPQYKWPQLIQI-UHFFFAOYSA-N 0 0 318.376 4.054 50 0 DIAARN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)no1 ZINC000021790766 182289038 /nfs/dbraw/zinc/28/90/38/182289038.db2.gz JDORNVRAUPBVGC-HNNXBMFYSA-N 0 0 318.804 4.429 50 0 DIAARN O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccccc1Cl ZINC000021791582 182289533 /nfs/dbraw/zinc/28/95/33/182289533.db2.gz QOBBEEMNKKWFFH-HNNXBMFYSA-N 0 0 316.788 4.183 50 0 DIAARN O=C(Nc1cccc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000021796380 182289566 /nfs/dbraw/zinc/28/95/66/182289566.db2.gz IFDOSRYBJAZRMM-UHFFFAOYSA-N 0 0 313.360 4.278 50 0 DIAARN Cc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)s1 ZINC000021806010 182291494 /nfs/dbraw/zinc/29/14/94/182291494.db2.gz AHSIBFFAXPWKHY-UHFFFAOYSA-N 0 0 315.423 4.136 50 0 DIAARN Cc1ccc(C)c(C(=O)CCC(=O)NC2CCCCCCC2)c1 ZINC000021874303 182295658 /nfs/dbraw/zinc/29/56/58/182295658.db2.gz CSDIOAQYNFCRGU-UHFFFAOYSA-N 0 0 315.457 4.495 50 0 DIAARN CCOc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000021898740 182297649 /nfs/dbraw/zinc/29/76/49/182297649.db2.gz SLNNZIDHDVIYLT-HNNXBMFYSA-N 0 0 313.422 4.052 50 0 DIAARN Cc1ccc(-c2cc3nccc(-c4cc(F)ccc4O)n3n2)cc1 ZINC000021729257 182286885 /nfs/dbraw/zinc/28/68/85/182286885.db2.gz JLUNMWGWPBCXDC-UHFFFAOYSA-N 0 0 319.339 4.216 50 0 DIAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCC1 ZINC000022131444 182309850 /nfs/dbraw/zinc/30/98/50/182309850.db2.gz ZYIDXLIXMIYGJK-UHFFFAOYSA-N 0 0 316.470 4.350 50 0 DIAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000021962283 182300064 /nfs/dbraw/zinc/30/00/64/182300064.db2.gz CFETYKHQAZZTQJ-AWEZNQCLSA-N 0 0 317.820 4.135 50 0 DIAARN C[C@@H](NC(=O)C1CCCCC1)c1cccc(Br)c1 ZINC000022251154 182315980 /nfs/dbraw/zinc/31/59/80/182315980.db2.gz JZDKWMWAJVIBJE-LLVKDONJSA-N 0 0 310.235 4.207 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@@H](NC(=O)C[C@H]1C=CCC1)C3 ZINC000022330954 182318993 /nfs/dbraw/zinc/31/89/93/182318993.db2.gz IXADFLHKMJDTGI-GOEBONIOSA-N 0 0 322.452 4.060 50 0 DIAARN Cc1ccccc1OCCN1c2cccc3cccc(c23)C1=O ZINC000022348650 182319424 /nfs/dbraw/zinc/31/94/24/182319424.db2.gz AVOWGUCRRDWZDS-UHFFFAOYSA-N 0 0 303.361 4.187 50 0 DIAARN Cc1ccc(CCC(=O)N2CCc3sccc3[C@@H]2C)c(C)c1 ZINC000022185853 182312195 /nfs/dbraw/zinc/31/21/95/182312195.db2.gz GIISPCNXOHTKQW-HNNXBMFYSA-N 0 0 313.466 4.443 50 0 DIAARN C[C@H]1CCCN1C(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022634668 182329416 /nfs/dbraw/zinc/32/94/16/182329416.db2.gz PQDVTKTVMVNWDF-ZDUSSCGKSA-N 0 0 306.365 4.119 50 0 DIAARN O=C(NCC1(c2cccs2)CC1)c1cccc2ccccc21 ZINC000022680261 182330637 /nfs/dbraw/zinc/33/06/37/182330637.db2.gz GXABEYXDYQKTDX-UHFFFAOYSA-N 0 0 307.418 4.363 50 0 DIAARN Cc1cc(C(=O)CSc2ccccc2Br)c(C)[nH]1 ZINC000022417133 182321454 /nfs/dbraw/zinc/32/14/54/182321454.db2.gz CDXYSZLITSABTN-UHFFFAOYSA-N 0 0 324.243 4.369 50 0 DIAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1cccnc1 ZINC000022421215 182321493 /nfs/dbraw/zinc/32/14/93/182321493.db2.gz ZXMJKLYXUJGJNC-AWEZNQCLSA-N 0 0 324.409 4.060 50 0 DIAARN CCCC(=O)Nc1ccccc1-c1nc(-c2cccs2)no1 ZINC000022462903 182321873 /nfs/dbraw/zinc/32/18/73/182321873.db2.gz NYFCTZCRNIYEKW-UHFFFAOYSA-N 0 0 313.382 4.204 50 0 DIAARN Cc1noc(-c2ccccc2NC(=O)c2cc3ccccc3o2)n1 ZINC000022462469 182322233 /nfs/dbraw/zinc/32/22/33/182322233.db2.gz IKDPXFDHFYPICX-UHFFFAOYSA-N 0 0 319.320 4.044 50 0 DIAARN Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000022465198 182322836 /nfs/dbraw/zinc/32/28/36/182322836.db2.gz IVWTZLSJHVISDT-NSHDSACASA-N 0 0 322.330 4.160 50 0 DIAARN Cc1ccc(C)c(Sc2ncccc2C(=O)NCC(C)C)c1 ZINC000022506647 182323800 /nfs/dbraw/zinc/32/38/00/182323800.db2.gz GOJXZZAVPLJQRR-UHFFFAOYSA-N 0 0 314.454 4.235 50 0 DIAARN O=C(NCC1CC1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000022972161 182344081 /nfs/dbraw/zinc/34/40/81/182344081.db2.gz MOCUBZOVKVITIJ-UHFFFAOYSA-N 0 0 318.829 4.026 50 0 DIAARN CCOC(=O)[C@H]1CCCc2sc(-c3ccc(Cl)cc3)nc21 ZINC000022996853 182344379 /nfs/dbraw/zinc/34/43/79/182344379.db2.gz YHKOYVYBIBAIRQ-LBPRGKRZSA-N 0 0 321.829 4.447 50 0 DIAARN O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1cccs1 ZINC000022768796 182334373 /nfs/dbraw/zinc/33/43/73/182334373.db2.gz FAJAJXCWCYFCRD-UHFFFAOYSA-N 0 0 324.361 4.079 50 0 DIAARN O=C(/C=C/c1ccco1)Nc1ccccc1N1CCCCCC1 ZINC000022828964 182335917 /nfs/dbraw/zinc/33/59/17/182335917.db2.gz WZHXLELXMHRFAO-VAWYXSNFSA-N 0 0 310.397 4.312 50 0 DIAARN Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000023155570 182352103 /nfs/dbraw/zinc/35/21/03/182352103.db2.gz PYJLLKBWCQELOJ-UHFFFAOYSA-N 0 0 313.372 4.353 50 0 DIAARN c1cn(Cc2ccccc2)nc1-c1cccc(-c2cnccn2)c1 ZINC000023159080 182352302 /nfs/dbraw/zinc/35/23/02/182352302.db2.gz KFKFQCIKOTYIEJ-UHFFFAOYSA-N 0 0 312.376 4.055 50 0 DIAARN C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC1CCCC1 ZINC000023264018 182355022 /nfs/dbraw/zinc/35/50/22/182355022.db2.gz VTCHWYYOFGWRRY-SECBINFHSA-N 0 0 301.814 4.019 50 0 DIAARN CCCCc1ccc2nc(NC(=O)C3CCOCC3)sc2c1 ZINC000023271015 182355406 /nfs/dbraw/zinc/35/54/06/182355406.db2.gz CUWPUODKRCFNEJ-UHFFFAOYSA-N 0 0 318.442 4.004 50 0 DIAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccoc2)cc1 ZINC000023011998 182345130 /nfs/dbraw/zinc/34/51/30/182345130.db2.gz YWRVBJPVZADYPX-UHFFFAOYSA-N 0 0 321.336 4.176 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000023078806 182346872 /nfs/dbraw/zinc/34/68/72/182346872.db2.gz NDYPMLHZFXPOSI-RISCZKNCSA-N 0 0 302.805 4.197 50 0 DIAARN CNc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1 ZINC000023386425 182359453 /nfs/dbraw/zinc/35/94/53/182359453.db2.gz NGDRGAMFYHUGHL-UHFFFAOYSA-N 0 0 309.394 4.104 50 0 DIAARN CCC[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccc1 ZINC000023456882 182361247 /nfs/dbraw/zinc/36/12/47/182361247.db2.gz DEONRFLKBWKNTB-UJJTZGENSA-N 0 0 313.441 4.039 50 0 DIAARN Cc1ccc(CN(C)C(=O)c2cc3c(cccc3F)s2)o1 ZINC000023496006 182362447 /nfs/dbraw/zinc/36/24/47/182362447.db2.gz ILCVVPLXBAOZFG-UHFFFAOYSA-N 0 0 303.358 4.214 50 0 DIAARN S=C1SCN(C2CCCCC2)CN1Cc1ccccc1 ZINC000023604098 182363796 /nfs/dbraw/zinc/36/37/96/182363796.db2.gz RLAGJAZCYNFGCN-UHFFFAOYSA-N 0 0 306.500 4.070 50 0 DIAARN COc1ccc(Cc2nc(-c3ccccc3)cs2)cc1OC ZINC000023624783 182364327 /nfs/dbraw/zinc/36/43/27/182364327.db2.gz QBRLUMHXFHONKV-UHFFFAOYSA-N 0 0 311.406 4.418 50 0 DIAARN Cc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2)sc1C ZINC000023683717 182365788 /nfs/dbraw/zinc/36/57/88/182365788.db2.gz NVSWYTSEODDKJE-UHFFFAOYSA-N 0 0 318.442 4.075 50 0 DIAARN C[C@@H](NC(=O)Cc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000023682203 182366059 /nfs/dbraw/zinc/36/60/59/182366059.db2.gz SHVYRRWCGMPETO-SECBINFHSA-N 0 0 314.237 4.475 50 0 DIAARN CC(C)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 ZINC000023701448 182366881 /nfs/dbraw/zinc/36/68/81/182366881.db2.gz JMSOLHVFCWLJDZ-UHFFFAOYSA-N 0 0 309.413 4.058 50 0 DIAARN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000024183117 182376695 /nfs/dbraw/zinc/37/66/95/182376695.db2.gz ISAAAYHGYQGWMO-LLVKDONJSA-N 0 0 311.303 4.156 50 0 DIAARN Cc1ccc(NC(=O)Cc2csc(-c3ccco3)n2)c(C)c1 ZINC000024249973 182378033 /nfs/dbraw/zinc/37/80/33/182378033.db2.gz DRCHDALPGFOCGM-UHFFFAOYSA-N 0 0 312.394 4.201 50 0 DIAARN Cc1cc(C(=O)NCCCCOc2ccc(Cl)cc2)c(C)o1 ZINC000024751808 182389813 /nfs/dbraw/zinc/38/98/13/182389813.db2.gz YCXSVUZJWOMFNH-UHFFFAOYSA-N 0 0 321.804 4.139 50 0 DIAARN Cc1c(C(=O)Nc2ccccc2C)cnn1-c1ccc(C)cc1 ZINC000024750836 182390273 /nfs/dbraw/zinc/39/02/73/182390273.db2.gz PZZQNWUVCOXCCQ-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN C[C@H]1CCN(C(=O)c2ccc(F)c(F)c2)c2ccccc2S1 ZINC000024585477 182384754 /nfs/dbraw/zinc/38/47/54/182384754.db2.gz DYMYZRPSPMEQST-NSHDSACASA-N 0 0 319.376 4.496 50 0 DIAARN Cc1cc(NC(=O)Nc2ccc3c(c2)-c2ccccc2C3)no1 ZINC000024688827 182387734 /nfs/dbraw/zinc/38/77/34/182387734.db2.gz ZCUVSQAJZZLUBC-UHFFFAOYSA-N 0 0 305.337 4.198 50 0 DIAARN CC(C)C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024992276 182397414 /nfs/dbraw/zinc/39/74/14/182397414.db2.gz AFEOYCAGNOPJPQ-SFHVURJKSA-N 0 0 321.424 4.009 50 0 DIAARN COc1ccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)cc1 ZINC000024987916 182397448 /nfs/dbraw/zinc/39/74/48/182397448.db2.gz GYQKUZVRQXSJKU-UHFFFAOYSA-N 0 0 321.376 4.444 50 0 DIAARN C/C=C/c1ccc(OCC(=O)N[C@H](C)CCC(C)C)c(OC)c1 ZINC000024989248 182397502 /nfs/dbraw/zinc/39/75/02/182397502.db2.gz MYELAABTXWVYOJ-LQYUOIDQSA-N 0 0 319.445 4.048 50 0 DIAARN CC[C@@H]1CCc2sc(C(=O)Nc3ccccc3O)cc2C1 ZINC000024990916 182397661 /nfs/dbraw/zinc/39/76/61/182397661.db2.gz LWTABZUISJOLIT-LLVKDONJSA-N 0 0 301.411 4.221 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ZINC000040087989 183032941 /nfs/dbraw/zinc/03/29/41/183032941.db2.gz HYHMSLMLGJWJMA-UHFFFAOYSA-N 0 0 308.312 4.265 50 0 DIAARN COc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000040087991 183033006 /nfs/dbraw/zinc/03/30/06/183033006.db2.gz XOTVYDSOFLAZRJ-UHFFFAOYSA-N 0 0 320.348 4.135 50 0 DIAARN Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000040087992 183033101 /nfs/dbraw/zinc/03/31/01/183033101.db2.gz AAWDOZXXASTKHS-UHFFFAOYSA-N 0 0 304.349 4.435 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1nccs1 ZINC000040090986 183033540 /nfs/dbraw/zinc/03/35/40/183033540.db2.gz QJIBAKULQJQJHC-UHFFFAOYSA-N 0 0 311.410 4.111 50 0 DIAARN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000040095572 183034189 /nfs/dbraw/zinc/03/41/89/183034189.db2.gz HPZUYMSBERKLJG-LLVKDONJSA-N 0 0 320.339 4.246 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)NCCc1ccccc1F ZINC000040099246 183034886 /nfs/dbraw/zinc/03/48/86/183034886.db2.gz AVIARLIMLNCDEC-UHFFFAOYSA-N 0 0 306.768 4.152 50 0 DIAARN CN(Cc1ccccc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000040104959 183035479 /nfs/dbraw/zinc/03/54/79/183035479.db2.gz VJTGMOPORCQNEC-UHFFFAOYSA-N 0 0 321.380 4.369 50 0 DIAARN COc1cccc(CN(C)C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000040103866 183035713 /nfs/dbraw/zinc/03/57/13/183035713.db2.gz OSHJBSJDKXKFMR-UHFFFAOYSA-N 0 0 322.767 4.152 50 0 DIAARN CCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000040103784 183035762 /nfs/dbraw/zinc/03/57/62/183035762.db2.gz RBHVJXVYHQOLMN-UHFFFAOYSA-N 0 0 323.440 4.341 50 0 DIAARN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 ZINC000040107059 183036298 /nfs/dbraw/zinc/03/62/98/183036298.db2.gz BUGZUQGRIPEQLO-UHFFFAOYSA-N 0 0 308.312 4.265 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC000040128206 183038753 /nfs/dbraw/zinc/03/87/53/183038753.db2.gz JDXIAOFZGADWAH-UHFFFAOYSA-N 0 0 323.373 4.232 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@@H]1C ZINC000040134978 183039088 /nfs/dbraw/zinc/03/90/88/183039088.db2.gz ACVRCDJPGAOOKO-NFAWXSAZSA-N 0 0 317.477 4.070 50 0 DIAARN CC(C)c1nnc(NC(=O)CCCc2ccc(Cl)cc2)s1 ZINC000040141598 183039312 /nfs/dbraw/zinc/03/93/12/183039312.db2.gz KDJGLNNYRLGFSO-UHFFFAOYSA-N 0 0 323.849 4.276 50 0 DIAARN COc1ccc(/C=C(\C)c2noc(-c3ccccc3O)n2)cc1 ZINC000040309530 183053508 /nfs/dbraw/zinc/05/35/08/183053508.db2.gz RMAYWRVTTBOATE-VAWYXSNFSA-N 0 0 308.337 4.011 50 0 biogenic DIAARN Cc1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2=O ZINC000040453848 183067971 /nfs/dbraw/zinc/06/79/71/183067971.db2.gz FSRPVILMFUSPCI-UHFFFAOYSA-N 0 0 320.175 4.031 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478324 183075783 /nfs/dbraw/zinc/07/57/83/183075783.db2.gz BTMQMNMVWBAXGQ-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000040478314 183076066 /nfs/dbraw/zinc/07/60/66/183076066.db2.gz XKJHZQNJOKAYJM-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000040478246 183076124 /nfs/dbraw/zinc/07/61/24/183076124.db2.gz KCCFPRJLFDVUCL-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN Cc1cc(C)c(NC(=O)N[C@H](C)c2ccccn2)c(Cl)c1 ZINC000040477701 183076177 /nfs/dbraw/zinc/07/61/77/183076177.db2.gz UAFAOYZEHHPKNP-GFCCVEGCSA-N 0 0 303.793 4.235 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)CCCc1nc(C(C)C)no1 ZINC000040515662 183088843 /nfs/dbraw/zinc/08/88/43/183088843.db2.gz YPPAWWBUSLVUIF-UHFFFAOYSA-N 0 0 321.808 4.116 50 0 DIAARN Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040526403 183092534 /nfs/dbraw/zinc/09/25/34/183092534.db2.gz YXEOJMDZGSXEAH-LBPRGKRZSA-N 0 0 300.324 4.110 50 0 DIAARN C[C@@H]1CC[C@@H](OC(=O)NC(C(F)(F)F)C(F)(F)F)C[C@H]1C ZINC000102061649 193857917 /nfs/dbraw/zinc/85/79/17/193857917.db2.gz SZSOGTRGOFUSDT-BWZBUEFSSA-N 0 0 321.261 4.031 50 0 DIAARN c1coc(CNc2nc3ccccc3c(NC3CCCC3)n2)c1 ZINC000041152422 183178851 /nfs/dbraw/zinc/17/88/51/183178851.db2.gz YDGSECRTRAUUBY-UHFFFAOYSA-N 0 0 308.385 4.189 50 0 DIAARN COc1ccc2oc(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 ZINC000041156403 183179253 /nfs/dbraw/zinc/17/92/53/183179253.db2.gz GEIFISDLAXEGTL-GFCCVEGCSA-N 0 0 309.365 4.241 50 0 DIAARN Cc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 ZINC000041097563 183165358 /nfs/dbraw/zinc/16/53/58/183165358.db2.gz MLLGWMQXHRCZGP-YOEHRIQHSA-N 0 0 310.447 4.334 50 0 DIAARN Cc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 ZINC000041097553 183165473 /nfs/dbraw/zinc/16/54/73/183165473.db2.gz MLLGWMQXHRCZGP-RHSMWYFYSA-N 0 0 310.447 4.334 50 0 DIAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C1CCCCC1 ZINC000041107624 183165846 /nfs/dbraw/zinc/16/58/46/183165846.db2.gz FJDFOTLEKFCFMG-UHFFFAOYSA-N 0 0 321.380 4.409 50 0 DIAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2)cc1 ZINC000041125368 183169168 /nfs/dbraw/zinc/16/91/68/183169168.db2.gz WWLCCOLCZXNWPN-GFCCVEGCSA-N 0 0 302.757 4.077 50 0 DIAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)o1 ZINC000042000957 183228776 /nfs/dbraw/zinc/22/87/76/183228776.db2.gz LPFREVUQFHGDFT-MAUKXSAKSA-N 0 0 323.436 4.483 50 0 DIAARN O=C(NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000042418625 183266913 /nfs/dbraw/zinc/26/69/13/183266913.db2.gz RUBQGRRMTMFHIW-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN Brc1cccc(CNc2nc3ccccc3o2)c1 ZINC000042419022 183267933 /nfs/dbraw/zinc/26/79/33/183267933.db2.gz LCRAUAYJRIAPCT-UHFFFAOYSA-N 0 0 303.159 4.202 50 0 DIAARN CCC[C@@H](C)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 ZINC000042512709 183278692 /nfs/dbraw/zinc/27/86/92/183278692.db2.gz USOWDNMWLPOCSG-NEPJUHHUSA-N 0 0 322.499 4.347 50 0 DIAARN C[C@@H]1CO[P@@](=O)([C@H](NCc2ccccc2)c2ccccc2)O1 ZINC000042378165 183261991 /nfs/dbraw/zinc/26/19/91/183261991.db2.gz PDLSNYZPQRGGCF-UVQUFPMPSA-N 0 0 317.325 4.103 50 0 DIAARN C[C@H](NC(=O)Nc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000042737251 183303605 /nfs/dbraw/zinc/30/36/05/183303605.db2.gz QREOSFFOJOABIZ-QMMMGPOBSA-N 0 0 315.320 4.045 50 0 DIAARN Cc1cccc(OCCn2c3ccc(F)cc3[nH]c2=S)c1 ZINC000042897244 183317287 /nfs/dbraw/zinc/31/72/87/183317287.db2.gz JZQLBGGEOXHOON-UHFFFAOYSA-N 0 0 302.374 4.225 50 0 DIAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000102230269 193870031 /nfs/dbraw/zinc/87/00/31/193870031.db2.gz UXZQLGOSGFIEAS-QGZVFWFLSA-N 0 0 322.799 4.296 50 0 DIAARN Cc1ccccc1NC(=O)N(C)Cc1ccc(Br)o1 ZINC000043135018 183339786 /nfs/dbraw/zinc/33/97/86/183339786.db2.gz MPYNPHCSDVKERV-UHFFFAOYSA-N 0 0 323.190 4.014 50 0 DIAARN CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000043145999 183341151 /nfs/dbraw/zinc/34/11/51/183341151.db2.gz AIORSRXYPRGOMG-NSHDSACASA-N 0 0 320.339 4.246 50 0 DIAARN CCOc1ccc(NC(=O)N(C)Cc2sccc2C)cc1 ZINC000043145259 183341671 /nfs/dbraw/zinc/34/16/71/183341671.db2.gz AYMDXLPMFNIORA-UHFFFAOYSA-N 0 0 304.415 4.119 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000043158363 183341909 /nfs/dbraw/zinc/34/19/09/183341909.db2.gz QAHVBDFULGMSPH-GHMZBOCLSA-N 0 0 300.324 4.406 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)N(C)Cc1sccc1C ZINC000043168638 183343025 /nfs/dbraw/zinc/34/30/25/183343025.db2.gz SSGKSZWJKZKDGK-UHFFFAOYSA-N 0 0 324.833 4.382 50 0 DIAARN CC(C)(C)c1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000043210419 183344283 /nfs/dbraw/zinc/34/42/83/183344283.db2.gz DNIFJDZSAZWLRE-UHFFFAOYSA-N 0 0 316.422 4.322 50 0 DIAARN CC(=O)Oc1cccc(C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000043209887 183344289 /nfs/dbraw/zinc/34/42/89/183344289.db2.gz KIFNEOKVXFXQAN-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CC(=O)Oc1ccccc1C(=O)c1cccc(Cl)c1Cl ZINC000043209799 183344517 /nfs/dbraw/zinc/34/45/17/183344517.db2.gz UEVGKMFIPNOAAN-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CSc1ccccc1C(=O)c1ccccc1Br ZINC000043210225 183344556 /nfs/dbraw/zinc/34/45/56/183344556.db2.gz QGKRZJQFUIOYPU-UHFFFAOYSA-N 0 0 307.212 4.402 50 0 DIAARN CC(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000043209981 183344657 /nfs/dbraw/zinc/34/46/57/183344657.db2.gz ZXMSVCPLXZEVLX-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CC(=O)c1cccc(NC(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000043237776 183345697 /nfs/dbraw/zinc/34/56/97/183345697.db2.gz SORCTNXBGDPXLY-LLVKDONJSA-N 0 0 314.410 4.102 50 0 DIAARN COc1ccc(NC(=O)NCc2sccc2C)cc1Cl ZINC000043331742 183355995 /nfs/dbraw/zinc/35/59/95/183355995.db2.gz BYTIYFDVPULVME-UHFFFAOYSA-N 0 0 310.806 4.040 50 0 DIAARN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2ccsc2)o1 ZINC000043723073 183383481 /nfs/dbraw/zinc/38/34/81/183383481.db2.gz DRYYPKVFFYYVHB-JSGCOSHPSA-N 0 0 304.415 4.257 50 0 DIAARN O=C(NCc1ccco1)c1cccc(-n2ccc3ccccc32)c1 ZINC000044227427 183399810 /nfs/dbraw/zinc/39/98/10/183399810.db2.gz LMEHNMBKMTYZTE-UHFFFAOYSA-N 0 0 316.360 4.154 50 0 DIAARN Cc1[nH]nc2c1[C@H](c1cccc3ccccc31)SCC(=O)N2 ZINC000044889674 183447814 /nfs/dbraw/zinc/44/78/14/183447814.db2.gz HIBXXDKCSLSOAX-INIZCTEOSA-N 0 0 309.394 4.296 50 0 DIAARN CCOC(=O)c1cc2ccc3c(Cl)c(Cl)c(C)nc3n2c1 ZINC000045067907 183478453 /nfs/dbraw/zinc/47/84/53/183478453.db2.gz KDBYOUSUTSGLDI-UHFFFAOYSA-N 0 0 323.179 4.279 50 0 DIAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 ZINC000045221857 183489841 /nfs/dbraw/zinc/48/98/41/183489841.db2.gz DBKBMJCKFGJAKM-UHFFFAOYSA-N 0 0 322.452 4.456 50 0 biogenic,in-vitro DIAARN O=C1c2ccccc2[C@@H]2C3=C(CCCC3=O)Nc3ccccc3N12 ZINC000102710463 193919165 /nfs/dbraw/zinc/91/91/65/193919165.db2.gz NLTDDVRALMUCGE-LJQANCHMSA-N 0 0 316.360 4.470 50 0 DIAARN Cc1nc(C2=C(N)N(C3CCCCCCC3)CC2=O)sc1C ZINC000102721586 193919785 /nfs/dbraw/zinc/91/97/85/193919785.db2.gz UOWQPQDCPRJPGR-UHFFFAOYSA-N 0 0 319.474 4.435 50 0 DIAARN Cc1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000104709377 194029529 /nfs/dbraw/zinc/02/95/29/194029529.db2.gz BTLFMPNCGXWJLV-UWWQBHOKSA-N 0 0 303.446 4.411 50 0 DIAARN Cc1ccc(NC(=O)CCSCc2ccccn2)c(Cl)c1 ZINC000048210477 183627860 /nfs/dbraw/zinc/62/78/60/183627860.db2.gz LKLSAFLQVPAWJC-UHFFFAOYSA-N 0 0 320.845 4.305 50 0 DIAARN CCOc1ccc2cccc(NC(=O)c3cc(C)oc3C)c2n1 ZINC000049415189 183730194 /nfs/dbraw/zinc/73/01/94/183730194.db2.gz KVCUZOLXXNTCKW-UHFFFAOYSA-N 0 0 310.353 4.096 50 0 DIAARN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000052399999 183859856 /nfs/dbraw/zinc/85/98/56/183859856.db2.gz LTZMPVNQKXRMSJ-MBNYWOFBSA-N 0 0 300.427 4.006 50 0 DIAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(O)c1 ZINC000054701595 183948637 /nfs/dbraw/zinc/94/86/37/183948637.db2.gz BQDXTCLDCWRDQC-MRXNPFEDSA-N 0 0 316.788 4.022 50 0 DIAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(O)c1 ZINC000054701596 183948729 /nfs/dbraw/zinc/94/87/29/183948729.db2.gz BQDXTCLDCWRDQC-INIZCTEOSA-N 0 0 316.788 4.022 50 0 DIAARN CCOc1ccccc1CN(CC)C(=O)CCc1ccsc1 ZINC000055244284 183973256 /nfs/dbraw/zinc/97/32/56/183973256.db2.gz HWUGIVSVLZRNAW-UHFFFAOYSA-N 0 0 317.454 4.128 50 0 DIAARN CC[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccn(C)c1 ZINC000055325774 183979495 /nfs/dbraw/zinc/97/94/95/183979495.db2.gz LMXYPPHPKFRHET-AWEZNQCLSA-N 0 0 318.848 4.048 50 0 DIAARN CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@@H]1CC=CCC1 ZINC000055324822 183979855 /nfs/dbraw/zinc/97/98/55/183979855.db2.gz DPUJROSBFBUYHE-OAHLLOKOSA-N 0 0 314.429 4.419 50 0 DIAARN C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C=C(C1CC1)C1CC1 ZINC000055736836 183995741 /nfs/dbraw/zinc/99/57/41/183995741.db2.gz KPFUDKKCURAPJS-ZDUSSCGKSA-N 0 0 320.436 4.360 50 0 DIAARN C[C@@H](c1ccco1)N(C(=O)/C=C/c1nc2ccccc2o1)C1CC1 ZINC000056182946 184006510 /nfs/dbraw/zinc/00/65/10/184006510.db2.gz QNHFAIJZCAQVGG-NHAQELONSA-N 0 0 322.364 4.186 50 0 DIAARN Cc1occc1-c1nnc(Sc2nc3ccccc3s2)o1 ZINC000057681852 184046009 /nfs/dbraw/zinc/04/60/09/184046009.db2.gz OVXUTKZIADDDFT-UHFFFAOYSA-N 0 0 315.379 4.399 50 0 DIAARN O=C(NCc1ccc(F)cc1Cl)c1cc2c(s1)CCCC2 ZINC000057416274 184037804 /nfs/dbraw/zinc/03/78/04/184037804.db2.gz UQMPFAMNJOSYLL-UHFFFAOYSA-N 0 0 323.820 4.349 50 0 DIAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCCC1 ZINC000058061458 184072988 /nfs/dbraw/zinc/07/29/88/184072988.db2.gz VYVMKUJQHBWAAC-UHFFFAOYSA-N 0 0 315.800 4.008 50 0 DIAARN Cc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3)co2)cc1 ZINC000058067555 184073054 /nfs/dbraw/zinc/07/30/54/184073054.db2.gz AZWOYBFFXWPZAQ-JOCHJYFZSA-N 0 0 311.406 4.099 50 0 DIAARN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)NC1CCCC1 ZINC000058086707 184073777 /nfs/dbraw/zinc/07/37/77/184073777.db2.gz LJJUGBGEJLAPMD-UHFFFAOYSA-N 0 0 315.348 4.077 50 0 DIAARN COc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1Cl ZINC000057996645 184066271 /nfs/dbraw/zinc/06/62/71/184066271.db2.gz YDKKFHQVWKMJKH-UHFFFAOYSA-N 0 0 310.825 4.391 50 0 DIAARN c1cc([C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)cs1 ZINC000058162871 184083346 /nfs/dbraw/zinc/08/33/46/184083346.db2.gz JIUYFLNNCJJZHJ-GOSISDBHSA-N 0 0 309.438 4.271 50 0 DIAARN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F ZINC000058167211 184083959 /nfs/dbraw/zinc/08/39/59/184083959.db2.gz SWUMPDDNRJKTNT-UHFFFAOYSA-N 0 0 317.751 4.166 50 0 DIAARN COc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1 ZINC000058173742 184084608 /nfs/dbraw/zinc/08/46/08/184084608.db2.gz ZTXNTXJSCXKJJP-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN CC1CCC(C)(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000058210337 184088573 /nfs/dbraw/zinc/08/85/73/184088573.db2.gz BURRLIXUSUMGSW-UHFFFAOYSA-N 0 0 313.363 4.333 50 0 DIAARN COc1cc(CN(C)C(=O)Nc2ccccc2)ccc1SC ZINC000058218468 184089481 /nfs/dbraw/zinc/08/94/81/184089481.db2.gz LPHDNANKBJIBCO-UHFFFAOYSA-N 0 0 316.426 4.081 50 0 DIAARN CC(C)(C)c1ncc(NC(=O)c2ccccc2C(F)(F)F)cn1 ZINC000058228617 184090934 /nfs/dbraw/zinc/09/09/34/184090934.db2.gz CHHSBIMJOMIZSR-UHFFFAOYSA-N 0 0 323.318 4.045 50 0 DIAARN CCN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1Cl ZINC000058229270 184091185 /nfs/dbraw/zinc/09/11/85/184091185.db2.gz DUPZZJHGDSJJFY-UHFFFAOYSA-N 0 0 304.777 4.100 50 0 DIAARN CCCN(C)c1ccc(C(=O)Nc2ccccc2OCC)cc1 ZINC000058156736 184081482 /nfs/dbraw/zinc/08/14/82/184081482.db2.gz PKTZUIBTLFXXNS-UHFFFAOYSA-N 0 0 312.413 4.184 50 0 DIAARN CC(=O)c1ccc(Oc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000058159018 184082104 /nfs/dbraw/zinc/08/21/04/184082104.db2.gz GQSANPBKOJICQX-UHFFFAOYSA-N 0 0 304.349 4.447 50 0 DIAARN COC(=O)c1ccc(Oc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000058159002 184082206 /nfs/dbraw/zinc/08/22/06/184082206.db2.gz KQTSHRLUEQNHEL-UHFFFAOYSA-N 0 0 320.348 4.031 50 0 DIAARN c1ccc2sc(NCCNc3ccc4ccccc4n3)nc2c1 ZINC000058356999 184108164 /nfs/dbraw/zinc/10/81/64/184108164.db2.gz YHESJKQFNOSNTN-UHFFFAOYSA-N 0 0 320.421 4.369 50 0 DIAARN Cc1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000058358168 184109002 /nfs/dbraw/zinc/10/90/02/184109002.db2.gz KUCIVKYTPNSBAJ-UHFFFAOYSA-N 0 0 306.390 4.275 50 0 DIAARN CCCC(=O)Nc1ccc(-c2nc(COC)sc2C)cc1 ZINC000058370252 184109686 /nfs/dbraw/zinc/10/96/86/184109686.db2.gz HIDUFHHHTBNPKA-UHFFFAOYSA-N 0 0 304.415 4.004 50 0 DIAARN COCCCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000058268275 184097950 /nfs/dbraw/zinc/09/79/50/184097950.db2.gz DESJCZNQKHBMMS-OAHLLOKOSA-N 0 0 312.413 4.225 50 0 DIAARN CCOC(=O)c1cccnc1/C=C/c1cccc(C(F)(F)F)c1 ZINC000058304737 184102738 /nfs/dbraw/zinc/10/27/38/184102738.db2.gz SNKFDMZTQPOKQU-CMDGGOBGSA-N 0 0 321.298 4.448 50 0 DIAARN Cc1nccn1-c1ccc(CNc2nc3ccccc3o2)cc1F ZINC000058413084 184114948 /nfs/dbraw/zinc/11/49/48/184114948.db2.gz LCXDUXAISGDSOQ-UHFFFAOYSA-N 0 0 322.343 4.073 50 0 DIAARN CN(Cc1cscn1)C(=O)c1ccccc1Nc1ccccc1 ZINC000058420884 184115830 /nfs/dbraw/zinc/11/58/30/184115830.db2.gz FUCPVRBEJHRZIZ-UHFFFAOYSA-N 0 0 323.421 4.159 50 0 DIAARN 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O=C(c1ccsc1)N(CCc1ccccc1)Cc1ccccn1 ZINC000062017874 184201594 /nfs/dbraw/zinc/20/15/94/184201594.db2.gz GDCSFEWHCLERSQ-UHFFFAOYSA-N 0 0 322.433 4.028 50 0 DIAARN CCN(Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000062649822 184246524 /nfs/dbraw/zinc/24/65/24/184246524.db2.gz HGEVERIGZZBQAK-UHFFFAOYSA-N 0 0 313.788 4.417 50 0 DIAARN O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000064386734 184296017 /nfs/dbraw/zinc/29/60/17/184296017.db2.gz LHKULIIYYBBOJO-GJZGRUSLSA-N 0 0 317.841 4.090 50 0 DIAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000064568255 184300349 /nfs/dbraw/zinc/30/03/49/184300349.db2.gz GTGRGYWXQRUFMC-UHFFFAOYSA-N 0 0 306.340 4.448 50 0 DIAARN Cc1cc(-c2csc(Cc3ncc(Cl)n3C)n2)c(C)s1 ZINC000063630678 184286129 /nfs/dbraw/zinc/28/61/29/184286129.db2.gz HIXFVDJZSNKHDD-UHFFFAOYSA-N 0 0 323.874 4.466 50 0 DIAARN Cc1ccc(NC(=O)c2cccn2-c2cccnc2C)c(C)c1 ZINC000064839226 184304499 /nfs/dbraw/zinc/30/44/99/184304499.db2.gz RMGKBETUUMOPQI-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2cccc(F)c2)on1 ZINC000064985195 184307851 /nfs/dbraw/zinc/30/78/51/184307851.db2.gz AMYCKHOVJQXGSU-HNNXBMFYSA-N 0 0 317.364 4.306 50 0 DIAARN COC(=O)c1cc(Nc2ccc(C)cc2)c2cc(F)ccc2n1 ZINC000065033580 184308853 /nfs/dbraw/zinc/30/88/53/184308853.db2.gz PFNFQXQDAPVMCM-UHFFFAOYSA-N 0 0 310.328 4.213 50 0 DIAARN Cc1cccc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)c1 ZINC000065030152 184308986 /nfs/dbraw/zinc/30/89/86/184308986.db2.gz HLVIBIOMKHNZDC-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(C)=O)cc21 ZINC000065033823 184309364 /nfs/dbraw/zinc/30/93/64/184309364.db2.gz SALZGPSRDXVYJO-UHFFFAOYSA-N 0 0 306.365 4.177 50 0 DIAARN CCn1nccc1-c1cccc(-c2noc(-c3ccsc3)n2)c1 ZINC000065137308 184311427 /nfs/dbraw/zinc/31/14/27/184311427.db2.gz BTKAFKKROUQWJR-UHFFFAOYSA-N 0 0 322.393 4.349 50 0 DIAARN Cc1nc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc2o1 ZINC000065149579 184311604 /nfs/dbraw/zinc/31/16/04/184311604.db2.gz GOGRLIFBFXDGJI-UHFFFAOYSA-N 0 0 313.263 4.131 50 0 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O=C(NC1(c2cccc(Cl)c2)CC1)OCc1ccccc1 ZINC000065337099 184325119 /nfs/dbraw/zinc/32/51/19/184325119.db2.gz NTLIQLRJAQUQTM-UHFFFAOYSA-N 0 0 301.773 4.256 50 0 DIAARN CC(C)c1cc(Br)ccc1I ZINC000065356381 184328196 /nfs/dbraw/zinc/32/81/96/184328196.db2.gz LDOHQLFWSINTRJ-UHFFFAOYSA-N 0 0 324.987 4.177 50 0 DIAARN CCSc1nc2nccc(-c3ccc4ccccc4c3)n2n1 ZINC000065363359 184328761 /nfs/dbraw/zinc/32/87/61/184328761.db2.gz DJUTYJXFGLRZHU-UHFFFAOYSA-N 0 0 306.394 4.057 50 0 DIAARN CCSc1nc2nccc(-c3cccc4ccccc43)n2n1 ZINC000065364538 184328763 /nfs/dbraw/zinc/32/87/63/184328763.db2.gz MMVWDFAVGVGNMN-UHFFFAOYSA-N 0 0 306.394 4.057 50 0 DIAARN Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2ccsc2)o1 ZINC000065369724 184329182 /nfs/dbraw/zinc/32/91/82/184329182.db2.gz YKRMOTGVIXHSPB-UHFFFAOYSA-N 0 0 322.393 4.018 50 0 DIAARN CCCCn1nc(C)c2c1NC(=O)C[C@@H]2c1cc(C)ccc1C ZINC000065407589 184339437 /nfs/dbraw/zinc/33/94/37/184339437.db2.gz ATVGIKSTQJNQNI-MRXNPFEDSA-N 0 0 311.429 4.083 50 0 DIAARN 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O=C1CCCC[C@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000065740112 184378016 /nfs/dbraw/zinc/37/80/16/184378016.db2.gz BPJYFURCEKLWFQ-FQEVSTJZSA-N 0 0 307.437 4.448 50 0 in-vitro DIAARN O=C(c1cccs1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065918606 184382545 /nfs/dbraw/zinc/38/25/45/184382545.db2.gz ITPUODMKEADESR-UHFFFAOYSA-N 0 0 310.422 4.249 50 0 DIAARN CCCCNC(=O)/C=C/c1cc2cc(Br)ccc2o1 ZINC000067339388 184460912 /nfs/dbraw/zinc/46/09/12/184460912.db2.gz PAAKAGCHXPQYMP-FNORWQNLSA-N 0 0 322.202 4.125 50 0 DIAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1Cn1ccnc1C ZINC000067934096 184491335 /nfs/dbraw/zinc/49/13/35/184491335.db2.gz VNZLEZFCAKORAS-UHFFFAOYSA-N 0 0 321.302 4.222 50 0 DIAARN CC[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)c1c(C)noc1C ZINC000069457481 184516623 /nfs/dbraw/zinc/51/66/23/184516623.db2.gz PEAMTNBKTKKZJW-CYBMUJFWSA-N 0 0 324.327 4.025 50 0 DIAARN CC(C)CCC(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069530273 184523221 /nfs/dbraw/zinc/52/32/21/184523221.db2.gz QGQXUMMTYDZWOL-IBGZPJMESA-N 0 0 314.404 4.205 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312.316 4.254 50 0 DIAARN O=C(Cc1ccccc1)Nc1nc(-c2cccs2)cs1 ZINC000002639361 563881918 /nfs/dbraw/zinc/88/19/18/563881918.db2.gz MLXGVMSDMPAVLJ-UHFFFAOYSA-N 0 0 300.408 4.053 50 0 DIAARN O=C(NC1CC(F)(F)C1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000170613663 563908157 /nfs/dbraw/zinc/90/81/57/563908157.db2.gz RDWAMFISVLBVGX-UHFFFAOYSA-N 0 0 319.138 4.002 50 0 DIAARN CC(C)(C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007688753 563917824 /nfs/dbraw/zinc/91/78/24/563917824.db2.gz LLXPZANRQZYSAU-UHFFFAOYSA-N 0 0 310.369 4.463 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@@H]2CCCC[C@@H]21 ZINC000079538493 563930411 /nfs/dbraw/zinc/93/04/11/563930411.db2.gz ONHANSWVRKTECF-GWCFXTLKSA-N 0 0 315.310 4.249 50 0 DIAARN Cc1nc2c(s1)[C@H]([N@@H+](C)CCO[C@@H]1CCCC[C@H]1C)CCC2 ZINC000230210240 563942147 /nfs/dbraw/zinc/94/21/47/563942147.db2.gz LLVBLQHSAUHJHY-KBRIMQKVSA-N 0 0 322.518 4.356 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2ccc(OCC(C)C)cc2)s1 ZINC000007996338 563946113 /nfs/dbraw/zinc/94/61/13/563946113.db2.gz 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O=c1[nH]c(CSCc2cccc(Cl)c2)nc2ccccc12 ZINC000032891549 563409186 /nfs/dbraw/zinc/40/91/86/563409186.db2.gz ZBHZQHCJIHLMEV-UHFFFAOYSA-N 0 0 316.813 4.010 50 0 DIAARN Cc1cc(-c2ccc(N3CCOCC3)c(F)c2)nc2ccccc12 ZINC000015453935 563409578 /nfs/dbraw/zinc/40/95/78/563409578.db2.gz BSGXHCCLZBXMPZ-UHFFFAOYSA-N 0 0 322.383 4.186 50 0 DIAARN Cc1ccc(CNc2ccc(I)cc2)cc1 ZINC000000410266 563414705 /nfs/dbraw/zinc/41/47/05/563414705.db2.gz MYCDMONPQLQBSA-UHFFFAOYSA-N 0 0 323.177 4.212 50 0 DIAARN Cc1ccc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)cc1 ZINC000032902224 563410367 /nfs/dbraw/zinc/41/03/67/563410367.db2.gz LNDKZSBNJYCBPL-UHFFFAOYSA-N 0 0 317.388 4.298 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000032915465 563412271 /nfs/dbraw/zinc/41/22/71/563412271.db2.gz XMWGLDNUTFJVFH-CJNGLKHVSA-N 0 0 317.454 4.419 50 0 DIAARN COc1cc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)ccc1OC(C)C ZINC000032914549 563412279 /nfs/dbraw/zinc/41/22/79/563412279.db2.gz KYYAUFHXNMNCEQ-HUUCEWRRSA-N 0 0 317.429 4.016 50 0 DIAARN Cc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)C[C@H]2C)cc1 ZINC000017056629 563413454 /nfs/dbraw/zinc/41/34/54/563413454.db2.gz XPHOAJXTGUGBRR-QGZVFWFLSA-N 0 0 323.440 4.046 50 0 DIAARN O=C(c1csc(Br)c1)N1CC[C@@H]1c1ccccc1 ZINC000032928139 563413664 /nfs/dbraw/zinc/41/36/64/563413664.db2.gz AGDSSUOOUSVYIA-GFCCVEGCSA-N 0 0 322.227 4.098 50 0 DIAARN O=C(CCC1CCCC1)NCc1ccnc(Oc2ccccc2)c1 ZINC000032930548 563413671 /nfs/dbraw/zinc/41/36/71/563413671.db2.gz ACMCMCAOCWNQJA-UHFFFAOYSA-N 0 0 324.424 4.461 50 0 DIAARN c1ccc2c(c1)CCC[C@H]2Sc1nnc(-c2cccnc2)o1 ZINC000032931595 563413968 /nfs/dbraw/zinc/41/39/68/563413968.db2.gz DVUKWBQRKSBLJO-OAHLLOKOSA-N 0 0 309.394 4.301 50 0 DIAARN Cc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)cnn1C(C)(C)C ZINC000032932160 563414557 /nfs/dbraw/zinc/41/45/57/563414557.db2.gz VWDDJOIAYKBKRA-LLVKDONJSA-N 0 0 319.836 4.091 50 0 DIAARN c1csc(CNc2ncnc3sc4c(c32)CCCCC4)n1 ZINC000032935557 563414595 /nfs/dbraw/zinc/41/45/95/563414595.db2.gz KRVIMIIHNKRWFF-UHFFFAOYSA-N 0 0 316.455 4.029 50 0 DIAARN CCOc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1CO ZINC000071948206 563415552 /nfs/dbraw/zinc/41/55/52/563415552.db2.gz JMIUINWMLYDNBR-NSHDSACASA-N 0 0 307.340 4.029 50 0 DIAARN Cc1cc(C(=O)Nc2cccc(C)c2C)c2cnn(C(C)C)c2n1 ZINC000010808773 563418148 /nfs/dbraw/zinc/41/81/48/563418148.db2.gz FFSLQBNHHNAAKS-UHFFFAOYSA-N 0 0 322.412 4.190 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000022561584 563418954 /nfs/dbraw/zinc/41/89/54/563418954.db2.gz FZQVVFJAPROZAH-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN CC(C)CC(=O)c1sc(Nc2cccc(Cl)c2)nc1N ZINC000032947627 563419078 /nfs/dbraw/zinc/41/90/78/563419078.db2.gz PVJHFJMLJIWMGC-UHFFFAOYSA-N 0 0 309.822 4.351 50 0 DIAARN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc2ncccc21 ZINC000023227816 563419615 /nfs/dbraw/zinc/41/96/15/563419615.db2.gz DKDRIUJJJQLLEY-UHFFFAOYSA-N 0 0 324.355 4.170 50 0 DIAARN O=C(c1ccsc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010883342 563419688 /nfs/dbraw/zinc/41/96/88/563419688.db2.gz USXNWHICJCDTTO-UHFFFAOYSA-N 0 0 310.422 4.249 50 0 DIAARN CC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000010918615 563419875 /nfs/dbraw/zinc/41/98/75/563419875.db2.gz GLQIVINAPOEDHM-QGZVFWFLSA-N 0 0 316.832 4.287 50 0 DIAARN Cc1ccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cn1 ZINC000024473091 563420660 /nfs/dbraw/zinc/42/06/60/563420660.db2.gz UCZXLZRTWRQVEO-UHFFFAOYSA-N 0 0 320.314 4.002 50 0 DIAARN COc1cccc([C@@H]2CCCN2Cc2cc(-c3ccco3)on2)c1 ZINC000025069014 563421514 /nfs/dbraw/zinc/42/15/14/563421514.db2.gz WPFFGGVDQMYBPM-KRWDZBQOSA-N 0 0 324.380 4.280 50 0 DIAARN COCCNc1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000025317689 563422093 /nfs/dbraw/zinc/42/20/93/563422093.db2.gz IVBBJPFZNCDBOS-UHFFFAOYSA-N 0 0 308.790 4.268 50 0 DIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CC=CCC1 ZINC000025283211 563422122 /nfs/dbraw/zinc/42/21/22/563422122.db2.gz COEUMWLWBXIFLY-PMACEKPBSA-N 0 0 305.421 4.443 50 0 DIAARN COc1ccc([C@@H](NC(=O)CC(C)(C)C)c2ccccc2)cc1 ZINC000025448527 563423104 /nfs/dbraw/zinc/42/31/04/563423104.db2.gz ZXMHWXASPKWRPH-IBGZPJMESA-N 0 0 311.425 4.337 50 0 DIAARN O=C(Cc1cccs1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025929269 563424196 /nfs/dbraw/zinc/42/41/96/563424196.db2.gz WQDASSBJGINVCX-UHFFFAOYSA-N 0 0 324.405 4.462 50 0 DIAARN c1cn(Cc2ccccc2)c(CN2CCSc3ccccc32)n1 ZINC000026899690 563426659 /nfs/dbraw/zinc/42/66/59/563426659.db2.gz BQQGFTBRVZUSQO-UHFFFAOYSA-N 0 0 321.449 4.044 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C ZINC000027220659 563427201 /nfs/dbraw/zinc/42/72/01/563427201.db2.gz JWJXECVIFYDOET-BMIGLBTASA-N 0 0 321.804 4.246 50 0 DIAARN O=C(Nc1ccc(OC(=O)c2ccccc2)cc1)c1cccs1 ZINC000027384530 563428102 /nfs/dbraw/zinc/42/81/02/563428102.db2.gz IOIXDUIRQMRICC-UHFFFAOYSA-N 0 0 323.373 4.220 50 0 DIAARN COc1ccccc1-c1csc(NC(=O)C2CCCCC2)n1 ZINC000027756751 563429349 /nfs/dbraw/zinc/42/93/49/563429349.db2.gz YRYJOQPFEWLYLX-UHFFFAOYSA-N 0 0 316.426 4.338 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000027794036 563430056 /nfs/dbraw/zinc/43/00/56/563430056.db2.gz WBRZVRKTZDDFBS-UHFFFAOYSA-N 0 0 322.364 4.260 50 0 DIAARN Cc1cccn2c1nc(-c1cccs1)c2NC(=O)c1ccco1 ZINC000028225392 563430539 /nfs/dbraw/zinc/43/05/39/563430539.db2.gz IXCISJGURSVQLH-UHFFFAOYSA-N 0 0 323.377 4.217 50 0 DIAARN Cc1ccc2c(COc3ccc(F)cc3Cl)cc(=O)oc2c1 ZINC000011028206 563430780 /nfs/dbraw/zinc/43/07/80/563430780.db2.gz JOIZORLAOCYRKQ-UHFFFAOYSA-N 0 0 318.731 4.473 50 0 DIAARN O=C(CCN1c2ccccc2Sc2ccccc21)N1CCCC1 ZINC000028084418 563430959 /nfs/dbraw/zinc/43/09/59/563430959.db2.gz WVTRLTUEVWEFTF-UHFFFAOYSA-N 0 0 324.449 4.302 50 0 DIAARN COCCc1ccc(OCc2coc(-c3cccs3)n2)cc1 ZINC000032957871 563431039 /nfs/dbraw/zinc/43/10/39/563431039.db2.gz WZLSFJBYUULMLQ-UHFFFAOYSA-N 0 0 315.394 4.171 50 0 DIAARN Cc1ccc(C(=O)N[C@H](C)COc2ccc(C(C)C)cc2)cc1 ZINC000028290933 563431581 /nfs/dbraw/zinc/43/15/81/563431581.db2.gz KAODHJNSHNNNTP-MRXNPFEDSA-N 0 0 311.425 4.316 50 0 DIAARN Cc1cc([C@H](C)NC(=O)NCc2ccc(F)cc2)c(C)s1 ZINC000028356123 563431688 /nfs/dbraw/zinc/43/16/88/563431688.db2.gz RPBGIPBOHKHJDP-NSHDSACASA-N 0 0 306.406 4.064 50 0 DIAARN COc1ccc(-c2csc(C3CC3)n2)cc1Br ZINC000028335012 563431717 /nfs/dbraw/zinc/43/17/17/563431717.db2.gz ZFHFCAKRLLRZDW-UHFFFAOYSA-N 0 0 310.216 4.459 50 0 DIAARN CCOc1ccccc1NC(=O)[C@@H](C)Nc1cccc(C)c1C ZINC000028744267 563432537 /nfs/dbraw/zinc/43/25/37/563432537.db2.gz YSKOYLQNTJFEJV-OAHLLOKOSA-N 0 0 312.413 4.141 50 0 DIAARN COc1ccc(NC(=O)[C@@H](C)Nc2cccc3c2CCCC3)cc1 ZINC000028795093 563433166 /nfs/dbraw/zinc/43/31/66/563433166.db2.gz UWELITYCDMXKEM-CQSZACIVSA-N 0 0 324.424 4.013 50 0 DIAARN O=C(NC(C1CC1)C1CC1)c1ccc(C2SCCS2)cc1 ZINC000029383128 563433448 /nfs/dbraw/zinc/43/34/48/563433448.db2.gz FNSXWQNJHTXMNI-UHFFFAOYSA-N 0 0 319.495 4.084 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Cl)cc2)cc1C ZINC000029318854 563433509 /nfs/dbraw/zinc/43/35/09/563433509.db2.gz NJZUHHJYQLMRCK-ZDUSSCGKSA-N 0 0 302.805 4.396 50 0 DIAARN C[C@H](Sc1nc2ccccc2o1)c1nc(-c2ccco2)no1 ZINC000029738103 563435482 /nfs/dbraw/zinc/43/54/82/563435482.db2.gz QQFQVVJDLGZUHO-VIFPVBQESA-N 0 0 313.338 4.324 50 0 DIAARN CCN(C(=O)Nc1ccc(OC)c(C)c1)[C@@H](C)c1cccnc1 ZINC000072286343 563435494 /nfs/dbraw/zinc/43/54/94/563435494.db2.gz WLYPVYFLLXRCFW-AWEZNQCLSA-N 0 0 313.401 4.014 50 0 DIAARN CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000030011944 563436017 /nfs/dbraw/zinc/43/60/17/563436017.db2.gz HRMNMBJRCCMDCN-UHFFFAOYSA-N 0 0 321.380 4.036 50 0 DIAARN O=C(NCc1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000030158905 563437074 /nfs/dbraw/zinc/43/70/74/563437074.db2.gz HOFSONRQIZNSCB-UHFFFAOYSA-N 0 0 320.726 4.030 50 0 DIAARN O=C(Nc1ccc(Cl)cn1)C1(c2ccccc2)CCCC1 ZINC000030822834 563438703 /nfs/dbraw/zinc/43/87/03/563438703.db2.gz RGVOHGOELPRFRL-UHFFFAOYSA-N 0 0 300.789 4.186 50 0 DIAARN Cc1cccc(-c2noc(CN(C)[C@@H]3CCc4ccccc43)n2)c1 ZINC000030925747 563439969 /nfs/dbraw/zinc/43/99/69/563439969.db2.gz GKZKIEPOSGWMAX-GOSISDBHSA-N 0 0 319.408 4.164 50 0 DIAARN Cc1ccccc1C(=O)NCCCCOc1ccc(Cl)cc1 ZINC000011084682 563442040 /nfs/dbraw/zinc/44/20/40/563442040.db2.gz BEXFCAKZWNDORZ-UHFFFAOYSA-N 0 0 317.816 4.237 50 0 DIAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 ZINC000032508030 563442552 /nfs/dbraw/zinc/44/25/52/563442552.db2.gz FXKPMHAUESWTHM-UHFFFAOYSA-N 0 0 317.348 4.384 50 0 aggregator DIAARN CC(C)Cn1c(Cc2ccc(Cl)cc2Cl)n[nH]c1=S ZINC000032579450 563442636 /nfs/dbraw/zinc/44/26/36/563442636.db2.gz YUGLOPILABVCQI-UHFFFAOYSA-N 0 0 316.257 4.494 50 0 DIAARN CC(C)Oc1ccc(Cl)cc1-c1nnc2c(Cl)cccn21 ZINC000032593195 563442751 /nfs/dbraw/zinc/44/27/51/563442751.db2.gz QBTHOAZZOKWREA-UHFFFAOYSA-N 0 0 322.195 4.490 50 0 DIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCC(F)(F)F ZINC000032628774 563443326 /nfs/dbraw/zinc/44/33/26/563443326.db2.gz ZSNZLGVMHPPZNP-UHFFFAOYSA-N 0 0 321.604 4.470 50 0 DIAARN Cc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1 ZINC000000130154 563446985 /nfs/dbraw/zinc/44/69/85/563446985.db2.gz DINAJLGUKSYEKK-UHFFFAOYSA-N 0 0 322.433 4.224 50 0 DIAARN C[C@H]1c2[nH]c3ccccc3c2CCN1C(=S)Nc1ccccc1 ZINC000000098938 563447085 /nfs/dbraw/zinc/44/70/85/563447085.db2.gz UHRSJUUHKITPDP-ZDUSSCGKSA-N 0 0 321.449 4.484 50 0 DIAARN Cc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 ZINC000000227051 563447105 /nfs/dbraw/zinc/44/71/05/563447105.db2.gz BWCQXLZABXFTBE-UHFFFAOYSA-N 0 0 313.356 4.459 50 0 DIAARN O=C(CCNc1ccc(Cc2ccncc2)cc1)c1cccs1 ZINC000001061375 563448268 /nfs/dbraw/zinc/44/82/68/563448268.db2.gz AFCWGFKNLLSTRN-UHFFFAOYSA-N 0 0 322.433 4.419 50 0 DIAARN CC12CC3(C)CC(C)(C1)CC(NC(=O)Nc1nccs1)(C2)C3 ZINC000004873424 563449869 /nfs/dbraw/zinc/44/98/69/563449869.db2.gz HJOVULFEMMLYFO-UHFFFAOYSA-N 0 0 319.474 4.404 50 0 DIAARN COc1cccc2c(C)cc(NCCc3cccc(F)c3)nc12 ZINC000023634620 563450785 /nfs/dbraw/zinc/45/07/85/563450785.db2.gz ANQAJVNMVCZISD-UHFFFAOYSA-N 0 0 310.372 4.346 50 0 DIAARN CCc1[nH]nc(CCc2ccccc2)c1NC(=O)CC(C)(C)C ZINC000034795326 563451059 /nfs/dbraw/zinc/45/10/59/563451059.db2.gz UCNKCQNWHFUBQX-UHFFFAOYSA-N 0 0 313.445 4.132 50 0 DIAARN Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn32)cc1 ZINC000035616494 563453327 /nfs/dbraw/zinc/45/33/27/563453327.db2.gz NJKSNDCJMSVDTH-UHFFFAOYSA-N 0 0 316.364 4.154 50 0 DIAARN CCOCCCNC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000035561727 563453524 /nfs/dbraw/zinc/45/35/24/563453524.db2.gz YMZSYYZRYCQRIN-GOSISDBHSA-N 0 0 318.461 4.048 50 0 DIAARN c1ccc(C2=N[C@H](c3ccccc3)N3C[C@@]23c2ccccc2)cc1 ZINC000036020487 563454893 /nfs/dbraw/zinc/45/48/93/563454893.db2.gz WBGPXLGRLVZYHL-JCVDRHSJSA-N 0 0 310.400 4.399 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000036621115 563455772 /nfs/dbraw/zinc/45/57/72/563455772.db2.gz BYGPJOGHIYXQEZ-MRXNPFEDSA-N 0 0 320.314 4.473 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2C)cc1 ZINC000036620914 563455959 /nfs/dbraw/zinc/45/59/59/563455959.db2.gz SXZLOROSRRIIPZ-GOSISDBHSA-N 0 0 310.397 4.373 50 0 DIAARN CCOc1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000037358219 563457745 /nfs/dbraw/zinc/45/77/45/563457745.db2.gz FNOSECIFRMEZTO-UHFFFAOYSA-N 0 0 305.171 4.079 50 0 DIAARN CCCCN(CC)c1cc(Oc2ccc(F)cc2F)ncn1 ZINC000037378320 563457908 /nfs/dbraw/zinc/45/79/08/563457908.db2.gz GUNKIUPDPLZOFA-UHFFFAOYSA-N 0 0 307.344 4.174 50 0 DIAARN COc1cc(OC)cc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000037377548 563458056 /nfs/dbraw/zinc/45/80/56/563458056.db2.gz FWSZRJDEGVMIOR-UHFFFAOYSA-N 0 0 311.164 4.242 50 0 DIAARN Cc1cccc(-c2nnc(-c3cnc4onc(C(C)C)c4c3)o2)c1 ZINC000071890714 563458528 /nfs/dbraw/zinc/45/85/28/563458528.db2.gz VJNSITWKRSDUGW-UHFFFAOYSA-N 0 0 320.352 4.372 50 0 DIAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1cccs1 ZINC000097938570 563460605 /nfs/dbraw/zinc/46/06/05/563460605.db2.gz QQSGDWLXIJXIHF-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Cc1ccc(C(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1 ZINC000097938539 563460628 /nfs/dbraw/zinc/46/06/28/563460628.db2.gz BEFVSERMBZSERN-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN Cc1csc(-c2ccc(CNC(=O)/C=C/c3ccco3)cc2)n1 ZINC000097938078 563460754 /nfs/dbraw/zinc/46/07/54/563460754.db2.gz JLBRWXKSVHAGNK-CMDGGOBGSA-N 0 0 324.405 4.041 50 0 DIAARN S=C(NCc1cccs1)N[C@@H]1CCc2c1cccc2Cl ZINC000071824618 563461335 /nfs/dbraw/zinc/46/13/35/563461335.db2.gz KHKRQIRNZHLQQP-CQSZACIVSA-N 0 0 322.886 4.053 50 0 DIAARN Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccc(F)cc1 ZINC000044676309 563462330 /nfs/dbraw/zinc/46/23/30/563462330.db2.gz PPLXPYGJODSNNE-UHFFFAOYSA-N 0 0 313.254 4.192 50 0 DIAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3cccc(C)c3)C2)cc1 ZINC000013523911 563463848 /nfs/dbraw/zinc/46/38/48/563463848.db2.gz UHCFNYOWAPDOSN-QGZVFWFLSA-N 0 0 310.466 4.490 50 0 DIAARN CC(=O)c1c(=O)n(C)c2ccccc2c1-c1ccc(Cl)cc1 ZINC000072314665 563467373 /nfs/dbraw/zinc/46/73/73/563467373.db2.gz XNXXTJPZMWVPDA-UHFFFAOYSA-N 0 0 311.768 4.062 50 0 DIAARN Cc1cc(C(=O)N2CCCC2)c2cccc(-c3ccccc3)c2n1 ZINC000033036661 563469098 /nfs/dbraw/zinc/46/90/98/563469098.db2.gz KHCKORSJLCAARS-UHFFFAOYSA-N 0 0 316.404 4.446 50 0 DIAARN Cc1ccsc1CNc1ccc(C(=O)N2CC=CCC2)cc1 ZINC000055402763 563475207 /nfs/dbraw/zinc/47/52/07/563475207.db2.gz DWCOZTCVSPQUNI-UHFFFAOYSA-N 0 0 312.438 4.071 50 0 DIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)CCc1ccccc1C ZINC000055392776 563475304 /nfs/dbraw/zinc/47/53/04/563475304.db2.gz SXORYMPSDSROSE-QGZVFWFLSA-N 0 0 310.441 4.150 50 0 DIAARN Cc1cccc(-c2ncc(CN(C)[C@H](C)c3cccnc3)cn2)c1 ZINC000055568951 563475922 /nfs/dbraw/zinc/47/59/22/563475922.db2.gz OBFUMLZCOXKRPQ-MRXNPFEDSA-N 0 0 318.424 4.040 50 0 DIAARN CCc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055542932 563476191 /nfs/dbraw/zinc/47/61/91/563476191.db2.gz BHXNAJUBVIHMBF-UHFFFAOYSA-N 0 0 314.860 4.225 50 0 DIAARN COc1ccc(OC)c(Nc2nc(-c3ccc(C)o3)cs2)c1 ZINC000004623330 563477021 /nfs/dbraw/zinc/47/70/21/563477021.db2.gz HYJNULWHZKDGGP-UHFFFAOYSA-N 0 0 316.382 4.472 50 0 DIAARN CC1=CC(C)(C)N(C(=O)c2ccccc2F)c2ccc(O)cc21 ZINC000057531184 563477983 /nfs/dbraw/zinc/47/79/83/563477983.db2.gz CJEGMXVAWOIBGG-UHFFFAOYSA-N 0 0 311.356 4.374 50 0 DIAARN C[C@@H]1CC(C)(C)N(C(=O)c2cccs2)c2ccc(O)cc21 ZINC000057531185 563477991 /nfs/dbraw/zinc/47/79/91/563477991.db2.gz JGGGFEKHDVEXIB-LLVKDONJSA-N 0 0 301.411 4.386 50 0 DIAARN O=C(c1ccc(-c2cnco2)cc1)N1CCSc2ccccc21 ZINC000058044792 563478833 /nfs/dbraw/zinc/47/88/33/563478833.db2.gz JMKMQDDMIOXCSG-UHFFFAOYSA-N 0 0 322.389 4.094 50 0 DIAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(OC(F)F)c1 ZINC000011203365 563480047 /nfs/dbraw/zinc/48/00/47/563480047.db2.gz SLYWLVCAHNGZIK-INIZCTEOSA-N 0 0 317.335 4.169 50 0 DIAARN c1cc(C2SCCS2)ccc1OCc1nnc(C2CC2)o1 ZINC000096428814 563481509 /nfs/dbraw/zinc/48/15/09/563481509.db2.gz YJPREQDWBWPQAR-UHFFFAOYSA-N 0 0 320.439 4.005 50 0 DIAARN CCOc1ccc(N[C@H](C)c2ccccc2Cl)cc1CO ZINC000037901490 563484825 /nfs/dbraw/zinc/48/48/25/563484825.db2.gz PAEABEUEZLJRNM-GFCCVEGCSA-N 0 0 305.805 4.404 50 0 DIAARN Brc1cc(Br)cc(N2CCCCC2)c1 ZINC000065337354 563486716 /nfs/dbraw/zinc/48/67/16/563486716.db2.gz XJRXMTGCKLGGJU-UHFFFAOYSA-N 0 0 319.040 4.202 50 0 DIAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(F)cc1Cl ZINC000067563344 563487921 /nfs/dbraw/zinc/48/79/21/563487921.db2.gz FDXSEFHKNIZJMN-HNNXBMFYSA-N 0 0 306.768 4.097 50 0 DIAARN Cc1ccccc1-c1ncc(-c2nccn2C2CCCC2)cn1 ZINC000067714439 563489526 /nfs/dbraw/zinc/48/95/26/563489526.db2.gz YRUUZIISASHENI-UHFFFAOYSA-N 0 0 304.397 4.431 50 0 DIAARN COc1ccc(-c2nc(Cn3ccnc3)c(C)o2)c2ccccc12 ZINC000067724499 563489893 /nfs/dbraw/zinc/48/98/93/563489893.db2.gz KCTQGBORVPXVPN-UHFFFAOYSA-N 0 0 319.364 4.057 50 0 DIAARN CC(C)n1c2ccccc2nc1-c1nccn1Cc1ccco1 ZINC000067872384 563493527 /nfs/dbraw/zinc/49/35/27/563493527.db2.gz XISHSQWWQIJSSN-UHFFFAOYSA-N 0 0 306.369 4.122 50 0 DIAARN CC(C)c1nc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2o1 ZINC000067947099 563493979 /nfs/dbraw/zinc/49/39/79/563493979.db2.gz JBPRTVIHTHTVPG-UHFFFAOYSA-N 0 0 315.394 4.022 50 0 DIAARN O=C(Nc1nccs1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000027565 563494901 /nfs/dbraw/zinc/49/49/01/563494901.db2.gz HFQVERRBTMOQJS-MRXNPFEDSA-N 0 0 320.417 4.088 50 0 DIAARN COc1ccc(-c2nccn2CCc2ncccc2C)c(C)c1C ZINC000067983206 563494906 /nfs/dbraw/zinc/49/49/06/563494906.db2.gz QSPGMIHIYFWZJK-UHFFFAOYSA-N 0 0 321.424 4.122 50 0 DIAARN C[C@H](c1ccncc1)N(C)Cc1csc(-c2ccccc2)n1 ZINC000067982464 563495037 /nfs/dbraw/zinc/49/50/37/563495037.db2.gz XWYLOGQOEQYVQY-CQSZACIVSA-N 0 0 309.438 4.398 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)N1CCN(C)c2ccccc21 ZINC000033127079 563497276 /nfs/dbraw/zinc/49/72/76/563497276.db2.gz LZQWMYLAAGBNRS-UHFFFAOYSA-N 0 0 315.804 4.137 50 0 DIAARN CC[C@@H](C)NC(=O)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140121 563497886 /nfs/dbraw/zinc/49/78/86/563497886.db2.gz OBBFJMKKHCVPQR-CQSZACIVSA-N 0 0 304.393 4.430 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1c(F)cccc1Cl ZINC000071279372 563498330 /nfs/dbraw/zinc/49/83/30/563498330.db2.gz NLUOSNBNZCHZPM-SECBINFHSA-N 0 0 307.756 4.380 50 0 DIAARN COc1cccc(-c2ccnc3c(-c4ccccc4)cnn32)c1 ZINC000071375931 563498933 /nfs/dbraw/zinc/49/89/33/563498933.db2.gz CWDVNMOECUQVKX-UHFFFAOYSA-N 0 0 301.349 4.072 50 0 DIAARN Cc1nn2c(nccc2-c2cccnc2)c1-c1cccc(Cl)c1 ZINC000071384584 563499187 /nfs/dbraw/zinc/49/91/87/563499187.db2.gz RNGBTIUIJSREMQ-UHFFFAOYSA-N 0 0 320.783 4.420 50 0 DIAARN CC(C)c1nc2cc(NC(=O)Cc3cccs3)ccc2o1 ZINC000033216339 563501623 /nfs/dbraw/zinc/50/16/23/563501623.db2.gz NARQPOADVPKYKA-UHFFFAOYSA-N 0 0 300.383 4.194 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1 ZINC000033254332 563501874 /nfs/dbraw/zinc/50/18/74/563501874.db2.gz YDWDBRFIRJEQBZ-UHFFFAOYSA-N 0 0 319.364 4.175 50 0 DIAARN CCc1ccccc1Nc1nc(N)c(C(=O)c2ccccc2)s1 ZINC000033251658 563502104 /nfs/dbraw/zinc/50/21/04/563502104.db2.gz QEXJJXZJWKEUJZ-UHFFFAOYSA-N 0 0 323.421 4.262 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)NCc3cccc(Cl)c3)c2c1 ZINC000033252823 563502114 /nfs/dbraw/zinc/50/21/14/563502114.db2.gz OQHZXYGQDZZYHL-UHFFFAOYSA-N 0 0 324.811 4.435 50 0 DIAARN Cc1cc(C(=O)NCc2cccc(Cl)c2)c2cccc(C)c2n1 ZINC000033252826 563502118 /nfs/dbraw/zinc/50/21/18/563502118.db2.gz QOCRWWACQROLKY-UHFFFAOYSA-N 0 0 324.811 4.435 50 0 DIAARN CC[C@H](Nc1nc(C(C)C)nc2c1cnn2C)c1ccccc1 ZINC000072149656 563502456 /nfs/dbraw/zinc/50/24/56/563502456.db2.gz BVGXVFUZKVDCPE-HNNXBMFYSA-N 0 0 309.417 4.050 50 0 DIAARN c1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033255376 563502583 /nfs/dbraw/zinc/50/25/83/563502583.db2.gz PRVNHQUXMODZSR-UHFFFAOYSA-N 0 0 305.381 4.394 50 0 DIAARN Cc1nc(-c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)no1 ZINC000033257644 563502768 /nfs/dbraw/zinc/50/27/68/563502768.db2.gz KJCZTASVRQPYIK-UHFFFAOYSA-N 0 0 321.380 4.421 50 0 DIAARN CCc1ccc(CNC(=O)c2sc(C(C)C)nc2C)s1 ZINC000036397806 563503314 /nfs/dbraw/zinc/50/33/14/563503314.db2.gz KVTHCTDPUZRQBD-UHFFFAOYSA-N 0 0 308.472 4.129 50 0 DIAARN CCc1nc(CN[C@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000097112299 563506870 /nfs/dbraw/zinc/50/68/70/563506870.db2.gz LKGAMUZDKFEEKR-GFCCVEGCSA-N 0 0 313.426 4.211 50 0 DIAARN Cc1ccccc1-c1nc(CNCc2ccc([C@H]3C[C@H]3C)o2)no1 ZINC000097164461 563507725 /nfs/dbraw/zinc/50/77/25/563507725.db2.gz HGJOLKKERRFZTB-CJNGLKHVSA-N 0 0 323.396 4.051 50 0 DIAARN O=C(c1cccc(O)c1)N1CCCC[C@@H]1CCc1cccs1 ZINC000077387759 563509812 /nfs/dbraw/zinc/50/98/12/563509812.db2.gz JFQVDFTWYNOXAO-OAHLLOKOSA-N 0 0 315.438 4.081 50 0 DIAARN Clc1cccc(-c2nccn2CC[C@H]2CCOC2)c1Cl ZINC000077440464 563510726 /nfs/dbraw/zinc/51/07/26/563510726.db2.gz JDSBKCDRHLKQAJ-NSHDSACASA-N 0 0 311.212 4.284 50 0 DIAARN COCCC[C@@H]1CCCCN1C(=O)Nc1ccc(SC)cc1 ZINC000077471877 563511062 /nfs/dbraw/zinc/51/10/62/563511062.db2.gz NDFXWCLRUBBFEW-HNNXBMFYSA-N 0 0 322.474 4.222 50 0 DIAARN CCCc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)no1 ZINC000077490019 563511329 /nfs/dbraw/zinc/51/13/29/563511329.db2.gz LZHOHVBUBKQKGK-KRWDZBQOSA-N 0 0 316.376 4.134 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(F)c2)c1 ZINC000000044454 563511591 /nfs/dbraw/zinc/51/15/91/563511591.db2.gz USNWYIKNQCOHJH-UHFFFAOYSA-N 0 0 301.361 4.275 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)N3CC[C@H]3c3ccccc3)c2c1 ZINC000077564041 563512135 /nfs/dbraw/zinc/51/21/35/563512135.db2.gz XVABLTQEVIYMSX-FQEVSTJZSA-N 0 0 316.404 4.439 50 0 DIAARN O=C(C[C@@H]1CCCN1Cc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000097230575 563514076 /nfs/dbraw/zinc/51/40/76/563514076.db2.gz DKMJEPDVHDWHSH-AWEZNQCLSA-N 0 0 321.779 4.310 50 0 DIAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccsc1 ZINC000011261338 563515065 /nfs/dbraw/zinc/51/50/65/563515065.db2.gz XZBQSJLZKDMJDN-UHFFFAOYSA-N 0 0 319.389 4.339 50 0 DIAARN C[C@H]1CCc2cc(F)ccc2N1Cc1nnc(-c2ccccc2)o1 ZINC000004734439 563517996 /nfs/dbraw/zinc/51/79/96/563517996.db2.gz VGMLJFDQVCXSIF-ZDUSSCGKSA-N 0 0 323.371 4.217 50 0 DIAARN CC(=O)Nc1ccc(SCc2cnn(-c3ccccc3)c2)cc1 ZINC000011288344 563519098 /nfs/dbraw/zinc/51/90/98/563519098.db2.gz QQHJQEAWWWRECG-UHFFFAOYSA-N 0 0 323.421 4.123 50 0 DIAARN CCOc1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000033311075 563519866 /nfs/dbraw/zinc/51/98/66/563519866.db2.gz VZTAEWASMXXJAR-WDZFZDKYSA-N 0 0 301.773 4.391 50 0 DIAARN CCCc1nc(-c2cc3cccc(C)c3nc2N2CCCC2)no1 ZINC000033318165 563520302 /nfs/dbraw/zinc/52/03/02/563520302.db2.gz PEEPEPIBCXGZAA-UHFFFAOYSA-N 0 0 322.412 4.146 50 0 DIAARN CC(C)(C)N(Cc1ccccc1)C(=O)c1c(F)cccc1F ZINC000084847421 563520601 /nfs/dbraw/zinc/52/06/01/563520601.db2.gz IOQMLEAYZOPPSC-UHFFFAOYSA-N 0 0 303.352 4.406 50 0 DIAARN Cc1ccccc1C(=O)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146844 563521355 /nfs/dbraw/zinc/52/13/55/563521355.db2.gz ZEGXVZLQCLBRRW-HNNXBMFYSA-N 0 0 311.406 4.211 50 0 DIAARN CCOP(=O)(Cc1cccc(Br)c1)OCC ZINC000086036917 563521768 /nfs/dbraw/zinc/52/17/68/563521768.db2.gz KVNNRCDDRDXWIW-UHFFFAOYSA-N 0 0 307.124 4.215 50 0 DIAARN O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1Cc1ccco1 ZINC000000070089 563521833 /nfs/dbraw/zinc/52/18/33/563521833.db2.gz GSOJINZZMMXVMN-GOSISDBHSA-N 0 0 322.339 4.185 50 0 DIAARN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ncccc2C(F)(F)F)C1 ZINC000225566860 563522502 /nfs/dbraw/zinc/52/25/02/563522502.db2.gz VEDLWDKSIAHWLU-WBMJQRKESA-N 0 0 321.346 4.079 50 0 DIAARN COc1ccccc1-c1cnn2c1nc(C)cc2-c1ccccc1 ZINC000008569778 563522956 /nfs/dbraw/zinc/52/29/56/563522956.db2.gz AYHWNNGCJACQPL-UHFFFAOYSA-N 0 0 315.376 4.380 50 0 DIAARN CCc1ccc(N[C@H](C(=O)N(CC)CC)c2ccccc2)cc1 ZINC000098081186 563524152 /nfs/dbraw/zinc/52/41/52/563524152.db2.gz LAZIKLHWIQLIFV-IBGZPJMESA-N 0 0 310.441 4.271 50 0 DIAARN COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000000080636 563524592 /nfs/dbraw/zinc/52/45/92/563524592.db2.gz BJWREFSFHJDLFG-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2)cc1 ZINC000000106503 563524839 /nfs/dbraw/zinc/52/48/39/563524839.db2.gz DSTBCLGRMXZEPZ-UHFFFAOYSA-N 0 0 319.364 4.086 50 0 DIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C)c(F)c1)C2 ZINC000011428812 563526268 /nfs/dbraw/zinc/52/62/68/563526268.db2.gz PVLBMOJGZZHROG-INIZCTEOSA-N 0 0 301.386 4.098 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)c2oc3cc(C)ccc3c2C)no1 ZINC000092028759 563526395 /nfs/dbraw/zinc/52/63/95/563526395.db2.gz NGDGNCSZAVCSLL-INIZCTEOSA-N 0 0 324.380 4.323 50 0 DIAARN O=C(CCc1cccs1)Nc1ccc(-c2nccs2)cc1 ZINC000007985709 563527552 /nfs/dbraw/zinc/52/75/52/563527552.db2.gz BCPIXRMJCKSEGP-UHFFFAOYSA-N 0 0 314.435 4.443 50 0 DIAARN CC(C)n1ccnc1C1CCN(c2nccc3ccccc32)CC1 ZINC000095358228 563529825 /nfs/dbraw/zinc/52/98/25/563529825.db2.gz ZIFSVKOCDHEUHW-UHFFFAOYSA-N 0 0 320.440 4.396 50 0 DIAARN Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000095918119 563530492 /nfs/dbraw/zinc/53/04/92/563530492.db2.gz HHXMNSHRQAAZSE-SFHVURJKSA-N 0 0 312.800 4.495 50 0 DIAARN Cc1cccc([C@H](NC(=O)Nc2cccc(C)c2C)C2CC2)n1 ZINC000096165234 563534856 /nfs/dbraw/zinc/53/48/56/563534856.db2.gz JPEWRCGJONQRBW-GOSISDBHSA-N 0 0 309.413 4.280 50 0 DIAARN CCCCn1nccc1NC(=O)N[C@H](CC)c1cccs1 ZINC000096179967 563535269 /nfs/dbraw/zinc/53/52/69/563535269.db2.gz HVPVIHNHTAASPH-GFCCVEGCSA-N 0 0 306.435 4.018 50 0 DIAARN c1ccc(-c2nonc2Sc2nc3ccccc3s2)cc1 ZINC000096180962 563535500 /nfs/dbraw/zinc/53/55/00/563535500.db2.gz VBWQYDXVGXIIFB-UHFFFAOYSA-N 0 0 311.391 4.498 50 0 DIAARN CCCCn1nccc1NC(=O)N[C@@H](CC)c1cccs1 ZINC000096179965 563535634 /nfs/dbraw/zinc/53/56/34/563535634.db2.gz HVPVIHNHTAASPH-LBPRGKRZSA-N 0 0 306.435 4.018 50 0 DIAARN CN(Cc1ccccc1)c1ncnc2sc3c(c21)CCCC3 ZINC000000098632 563538642 /nfs/dbraw/zinc/53/86/42/563538642.db2.gz ZGEMLILPYATYHS-UHFFFAOYSA-N 0 0 309.438 4.207 50 0 DIAARN Cc1cc(N[C@H](c2ccncc2)C(C)C)nc(-c2ccccn2)n1 ZINC000072948248 563538914 /nfs/dbraw/zinc/53/89/14/563538914.db2.gz QDLZIYGIGZUQHV-SFHVURJKSA-N 0 0 319.412 4.051 50 0 DIAARN Cc1noc(C)c1[C@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000097546617 563540277 /nfs/dbraw/zinc/54/02/77/563540277.db2.gz SHQCSDUVEGKARZ-QGZVFWFLSA-N 0 0 323.396 4.284 50 0 DIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(C)c(C)c1 ZINC000097604161 563540315 /nfs/dbraw/zinc/54/03/15/563540315.db2.gz KWXLLLVQDUXBCM-GOSISDBHSA-N 0 0 311.429 4.097 50 0 DIAARN Cc1ccc2cc(CO)c(-c3cccc4cnccc43)nc2c1 ZINC000097756403 563541740 /nfs/dbraw/zinc/54/17/40/563541740.db2.gz KJLRHDBDVBDTCE-UHFFFAOYSA-N 0 0 300.361 4.251 50 0 DIAARN COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1F ZINC000097757164 563542064 /nfs/dbraw/zinc/54/20/64/563542064.db2.gz OEEKIUQSWRIZFL-UHFFFAOYSA-N 0 0 314.234 4.178 50 0 DIAARN CSc1ccc(CN2CCCC[C@@H]2c2cc(C)on2)cc1 ZINC000097757951 563542303 /nfs/dbraw/zinc/54/23/03/563542303.db2.gz GZOOUYLLKSEBEK-QGZVFWFLSA-N 0 0 302.443 4.432 50 0 DIAARN CSc1ccccc1-c1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000097815016 563542705 /nfs/dbraw/zinc/54/27/05/563542705.db2.gz WNPDHOSMATXOBS-UONOGXRCSA-N 0 0 324.449 4.095 50 0 DIAARN COC(=O)c1sc2c(c1Cl)c(F)ccc2Br ZINC000098073396 563543812 /nfs/dbraw/zinc/54/38/12/563543812.db2.gz UHFJFXCPHLTILG-UHFFFAOYSA-N 0 0 323.570 4.243 50 0 DIAARN O=C1Nc2ccc(Cl)cc2SC1=CNc1ccccc1O ZINC000100460721 563551080 /nfs/dbraw/zinc/55/10/80/563551080.db2.gz BWPLCWHZPNQQNT-RIYZIHGNSA-N 0 0 318.785 4.043 50 0 DIAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000100596352 563551799 /nfs/dbraw/zinc/55/17/99/563551799.db2.gz TZAKFVHKRXTTJU-TXEJJXNPSA-N 0 0 324.207 4.229 50 0 DIAARN CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000100596350 563551811 /nfs/dbraw/zinc/55/18/11/563551811.db2.gz TZAKFVHKRXTTJU-VXGBXAGGSA-N 0 0 324.207 4.229 50 0 DIAARN CC1CC(=O)C(CC(=O)c2ccc(-c3ccccc3)cc2)C(=O)C1 ZINC000100682715 563552749 /nfs/dbraw/zinc/55/27/49/563552749.db2.gz ALKUTOKYIMQMRI-UHFFFAOYSA-N 0 0 320.388 4.111 50 0 DIAARN CCCOc1ccccc1C[C@@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000101016005 563555550 /nfs/dbraw/zinc/55/55/50/563555550.db2.gz WXDZECZCIWFNHQ-HNNXBMFYSA-N 0 0 315.800 4.407 50 0 DIAARN CCCCOc1ccccc1C[C@H]1c2cccc(C)c2NC1=O ZINC000101015990 563555597 /nfs/dbraw/zinc/55/55/97/563555597.db2.gz LXHUOWWDHFGKSL-KRWDZBQOSA-N 0 0 309.409 4.452 50 0 DIAARN CCN1c2ccccc2[C@@H](Cc2oc3ccccc3c2C)C1=O ZINC000101015082 563555921 /nfs/dbraw/zinc/55/59/21/563555921.db2.gz QIZMKHOPEYVOAR-MRXNPFEDSA-N 0 0 305.377 4.434 50 0 DIAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 ZINC000101078552 563556204 /nfs/dbraw/zinc/55/62/04/563556204.db2.gz MTXFRKJRYHQEHH-HZPDHXFCSA-N 0 0 317.344 4.042 50 0 DIAARN C1C2CC3CC1CC(NNC14CC5CC(CC(C5)C1)C4)(C2)C3 ZINC000101440457 563557501 /nfs/dbraw/zinc/55/75/01/563557501.db2.gz WVUOFGVVABQIMT-UHFFFAOYSA-N 0 0 300.490 4.018 50 0 DIAARN CC(=O)C[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 ZINC000102278017 563558869 /nfs/dbraw/zinc/55/88/69/563558869.db2.gz SCJOTLHZVRYEBY-LMVHURLUSA-N 0 0 310.353 4.001 50 0 DIAARN Cc1ccccc1[C@H](C)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000014202162 563561173 /nfs/dbraw/zinc/56/11/73/563561173.db2.gz HZMCZBUMBRUOEH-LBPRGKRZSA-N 0 0 323.314 4.385 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000014255268 563565506 /nfs/dbraw/zinc/56/55/06/563565506.db2.gz BAHXZGCSBPVYJW-UHFFFAOYSA-N 0 0 317.454 4.338 50 0 DIAARN Fc1ccccc1[C@@H]1CCN1c1ncnc2c3ccccc3oc21 ZINC000072313855 563566859 /nfs/dbraw/zinc/56/68/59/563566859.db2.gz OPFAKXNUTQLVLI-HNNXBMFYSA-N 0 0 319.339 4.467 50 0 DIAARN CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000000102942 563566978 /nfs/dbraw/zinc/56/69/78/563566978.db2.gz REUCQIABFJJFIC-MRVPVSSYSA-N 0 0 307.488 4.146 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1ccc(Br)cc1 ZINC000003159670 563568620 /nfs/dbraw/zinc/56/86/20/563568620.db2.gz KNLYOWNYLORLEP-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(=O)c1sc(NC(=O)CCC(C)C)nc1-c1ccccc1 ZINC000014657787 563569647 /nfs/dbraw/zinc/56/96/47/563569647.db2.gz YRTXSUXEVKXCJW-UHFFFAOYSA-N 0 0 316.426 4.387 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)CC(F)F ZINC000072303528 563569670 /nfs/dbraw/zinc/56/96/70/563569670.db2.gz YPSDIFPRMLNMEG-UHFFFAOYSA-N 0 0 323.770 4.176 50 0 DIAARN CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2 ZINC000000107087 563570284 /nfs/dbraw/zinc/57/02/84/563570284.db2.gz JEDIBJWOEOQXHT-UHFFFAOYSA-N 0 0 318.804 4.006 50 0 DIAARN Cc1cccc(C)c1-n1c(=O)c2ccccc2nc1C(F)(F)F ZINC000000130239 563572033 /nfs/dbraw/zinc/57/20/33/563572033.db2.gz ZRVVRNKOCWWDPC-UHFFFAOYSA-N 0 0 318.298 4.021 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000000137605 563572671 /nfs/dbraw/zinc/57/26/71/563572671.db2.gz VXOJBDZXJQFGSL-UHFFFAOYSA-N 0 0 303.427 4.093 50 0 DIAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccccc1 ZINC000000184601 563576102 /nfs/dbraw/zinc/57/61/02/563576102.db2.gz ONOCFBWSGWWGAR-UHFFFAOYSA-N 0 0 310.140 4.156 50 0 DIAARN c1csc(CCNc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000189851 563576158 /nfs/dbraw/zinc/57/61/58/563576158.db2.gz KYWFGSRGQXQSHG-UHFFFAOYSA-N 0 0 315.467 4.286 50 0 DIAARN COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000000189950 563576227 /nfs/dbraw/zinc/57/62/27/563576227.db2.gz YWEKTSYTGAHIFD-UHFFFAOYSA-N 0 0 320.266 4.487 50 0 biogenic DIAARN CC1=CC(C)(C)NC(=S)N1c1cc(Cl)cc(Cl)c1 ZINC000000194821 563576626 /nfs/dbraw/zinc/57/66/26/563576626.db2.gz ANVUIGXJNQCVSJ-UHFFFAOYSA-N 0 0 301.242 4.370 50 0 DIAARN CC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000000200546 563577244 /nfs/dbraw/zinc/57/72/44/563577244.db2.gz ZHXBRLQKSGXFNC-LBPRGKRZSA-N 0 0 310.422 4.492 50 0 DIAARN Cc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 ZINC000000199789 563577453 /nfs/dbraw/zinc/57/74/53/563577453.db2.gz SLDCEGIZDRNNIU-UHFFFAOYSA-N 0 0 305.131 4.068 50 0 DIAARN c1cnn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c1 ZINC000000209710 563577925 /nfs/dbraw/zinc/57/79/25/563577925.db2.gz ADEHAKSUVFAPLX-UHFFFAOYSA-N 0 0 314.348 4.122 50 0 DIAARN CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217143 563578374 /nfs/dbraw/zinc/57/83/74/563578374.db2.gz RWXOSSPUSSXDCV-AWEZNQCLSA-N 0 0 304.393 4.430 50 0 DIAARN CCCN(C(=O)c1coc(=O)c2ccccc12)c1cccc(C)c1 ZINC000000211722 563578397 /nfs/dbraw/zinc/57/83/97/563578397.db2.gz BPDVSMSLRKGDFY-UHFFFAOYSA-N 0 0 321.376 4.158 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)CCCc1cn(C)c2ccccc12 ZINC000000218747 563579142 /nfs/dbraw/zinc/57/91/42/563579142.db2.gz ZEKGWYFRHMIHEC-CRAIPNDOSA-N 0 0 312.457 4.196 50 0 DIAARN COc1cc(-c2onc3ccc(Cl)cc32)cc(OC)c1OC ZINC000000218456 563579274 /nfs/dbraw/zinc/57/92/74/563579274.db2.gz YINKMJJZFLMKPA-UHFFFAOYSA-N 0 0 319.744 4.174 50 0 DIAARN Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000246584 563581697 /nfs/dbraw/zinc/58/16/97/563581697.db2.gz NBQIYFBPSQENSE-UHFFFAOYSA-N 0 0 315.587 4.481 50 0 DIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2o1 ZINC000000246324 563581900 /nfs/dbraw/zinc/58/19/00/563581900.db2.gz INAATCSNDXYXOU-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000247538 563581969 /nfs/dbraw/zinc/58/19/69/563581969.db2.gz IRAGEEMDWRXYPS-UHFFFAOYSA-N 0 0 322.360 4.008 50 0 DIAARN CCCN(CCC)C(=S)Nc1ccccc1Br ZINC000000257981 563582922 /nfs/dbraw/zinc/58/29/22/563582922.db2.gz OVKWDMXSXIVMTC-UHFFFAOYSA-N 0 0 315.280 4.268 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000000259697 563583127 /nfs/dbraw/zinc/58/31/27/563583127.db2.gz FJXXDUCDFQNUGI-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN Cc1ccc(C)c(NC(=S)N2CC[C@H](c3ccccc3)C2)c1 ZINC000000263583 563583464 /nfs/dbraw/zinc/58/34/64/563583464.db2.gz LSNKCYINMYTRMR-KRWDZBQOSA-N 0 0 310.466 4.490 50 0 DIAARN COc1cc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)ccc1O ZINC000000276249 563584142 /nfs/dbraw/zinc/58/41/42/563584142.db2.gz UTDMCLGHIYITIH-MRXNPFEDSA-N 0 0 319.360 4.294 50 0 DIAARN CC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267992 563584170 /nfs/dbraw/zinc/58/41/70/563584170.db2.gz MADSTIMKHBTMDS-AUUYWEPGSA-N 0 0 323.392 4.038 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 ZINC000000282050 563584961 /nfs/dbraw/zinc/58/49/61/563584961.db2.gz BKXKLYYNVPWYHJ-SNVBAGLBSA-N 0 0 316.228 4.210 50 0 DIAARN CN(C(=O)c1cnc(-c2ccccc2)s1)C(C1CC1)C1CC1 ZINC000050399959 563585299 /nfs/dbraw/zinc/58/52/99/563585299.db2.gz KGAJSSKNAMKUCF-UHFFFAOYSA-N 0 0 312.438 4.071 50 0 DIAARN COc1ccc(CCCC(=O)N[C@H]2CCCC[C@@H]2C)cc1C ZINC000000304384 563587005 /nfs/dbraw/zinc/58/70/05/563587005.db2.gz IDADHKJDWBLCBE-YOEHRIQHSA-N 0 0 303.446 4.021 50 0 DIAARN CSc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 ZINC000011692052 563587062 /nfs/dbraw/zinc/58/70/62/563587062.db2.gz TYFCOKPDLCDJOH-OWBHPGMISA-N 0 0 320.417 4.063 50 0 DIAARN CC(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000000322887 563588176 /nfs/dbraw/zinc/58/81/76/563588176.db2.gz YFVNAVZNSIVUED-UHFFFAOYSA-N 0 0 316.213 4.106 50 0 DIAARN O=C(c1ccc(Cl)s1)N1CCCC[C@H]1c1nccs1 ZINC000115365168 563588678 /nfs/dbraw/zinc/58/86/78/563588678.db2.gz UOMHGCQYWLRTRC-VIFPVBQESA-N 0 0 312.847 4.225 50 0 DIAARN COc1ccc(NC(=O)c2ccc3ccccc3c2)c(OC)c1 ZINC000000335442 563589077 /nfs/dbraw/zinc/58/90/77/563589077.db2.gz ZKRLAWDPCNEVMN-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN C[C@]1(Cc2ccccc2)C(=O)Oc2ccc3ccccc3c2C1=O ZINC000000344146 563589533 /nfs/dbraw/zinc/58/95/33/563589533.db2.gz XSIAKWGNPSDRLK-OAQYLSRUSA-N 0 0 316.356 4.191 50 0 DIAARN CCN1c2ccc(NC(=O)c3ccccc3)c3cccc(c23)C1=O ZINC000000352762 563590153 /nfs/dbraw/zinc/59/01/53/563590153.db2.gz WMFSFQHOPQOZTF-UHFFFAOYSA-N 0 0 316.360 4.072 50 0 DIAARN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000000374553 563591436 /nfs/dbraw/zinc/59/14/36/563591436.db2.gz AWZQXYQFOSWMGP-HOTGVXAUSA-N 0 0 315.800 4.399 50 0 DIAARN Cc1ccc(C2=C[C@H](c3ccccc3)N3C(=O)CSC3=N2)cc1 ZINC000033751574 563596741 /nfs/dbraw/zinc/59/67/41/563596741.db2.gz QTBFBYQKRWIEFO-QGZVFWFLSA-N 0 0 320.417 4.022 50 0 DIAARN Cc1ccccc1Oc1cc(N(C)Cc2ccccc2)ncn1 ZINC000037623893 563598566 /nfs/dbraw/zinc/59/85/66/563598566.db2.gz JCARCGMUCOLWFQ-UHFFFAOYSA-N 0 0 305.381 4.214 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000011749956 563598622 /nfs/dbraw/zinc/59/86/22/563598622.db2.gz BINSXBPUKCCDFC-UHFFFAOYSA-N 0 0 320.219 4.455 50 0 DIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(F)cc1F ZINC000011770936 563598789 /nfs/dbraw/zinc/59/87/89/563598789.db2.gz FUUAQKYTHYDRHE-UHFFFAOYSA-N 0 0 316.351 4.126 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)CSC/C=C\c2ccccc2)[C@H]1C ZINC000248109989 563600002 /nfs/dbraw/zinc/60/00/02/563600002.db2.gz QNPBJQMDZKYAIY-HQTMCDFXSA-N 0 0 317.498 4.374 50 0 DIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccccn2)cc1C ZINC000248122128 563600557 /nfs/dbraw/zinc/60/05/57/563600557.db2.gz YGUKEUZTCWKERY-NSHGMRRFSA-N 0 0 320.436 4.166 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)no1 ZINC000248116175 563600794 /nfs/dbraw/zinc/60/07/94/563600794.db2.gz VFZMRIQZNKUHAW-SCTDSRPQSA-N 0 0 324.424 4.067 50 0 DIAARN O=C(Nc1ccccc1)N(Cc1cccs1)c1ccccn1 ZINC000011914873 563601742 /nfs/dbraw/zinc/60/17/42/563601742.db2.gz YYAJNHKLODYYCI-UHFFFAOYSA-N 0 0 309.394 4.382 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3C)no2)cc1 ZINC000011916422 563601760 /nfs/dbraw/zinc/60/17/60/563601760.db2.gz DREJOBKSJSEEIH-UHFFFAOYSA-N 0 0 307.349 4.486 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)no2)cc1 ZINC000011916412 563601866 /nfs/dbraw/zinc/60/18/66/563601866.db2.gz WOAVNQPUQRIUSB-UHFFFAOYSA-N 0 0 307.349 4.486 50 0 DIAARN O=C(c1ccsc1)N(Cc1ccsc1)Cc1ccccn1 ZINC000044445932 563602291 /nfs/dbraw/zinc/60/22/91/563602291.db2.gz JOXJXYXLMDBZCD-UHFFFAOYSA-N 0 0 314.435 4.047 50 0 DIAARN Cc1sc(-c2ccco2)nc1C(=O)N1CCc2c1cccc2C ZINC000125951182 563603375 /nfs/dbraw/zinc/60/33/75/563603375.db2.gz AKBFSFJEHLQONQ-UHFFFAOYSA-N 0 0 324.405 4.223 50 0 DIAARN Cc1ccc(-c2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 ZINC000012016163 563603506 /nfs/dbraw/zinc/60/35/06/563603506.db2.gz KNUYUANEDXODEY-UHFFFAOYSA-N 0 0 308.406 4.038 50 0 DIAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc(Cl)c1 ZINC000000176623 563606724 /nfs/dbraw/zinc/60/67/24/563606724.db2.gz PPVADCPHOGSDFG-ZSOIEALJSA-N 0 0 318.159 4.338 50 0 DIAARN Cc1cc(Nc2ccccc2)n(C(=O)c2ccc(Cl)cc2)n1 ZINC000000323814 563607671 /nfs/dbraw/zinc/60/76/71/563607671.db2.gz MBTXUUVBYJUUKG-UHFFFAOYSA-N 0 0 311.772 4.277 50 0 DIAARN CCOc1cccc(C(=O)Oc2cccc3ccc(C)nc32)c1 ZINC000000184343 563608130 /nfs/dbraw/zinc/60/81/30/563608130.db2.gz QOXZLMSHNZNWEE-UHFFFAOYSA-N 0 0 307.349 4.161 50 0 DIAARN CCc1nc2ccccc2c(C(=O)Nc2ccc(OC)cc2)c1C ZINC000000411490 563611402 /nfs/dbraw/zinc/61/14/02/563611402.db2.gz WHXDDPRKGCDIGL-UHFFFAOYSA-N 0 0 320.392 4.367 50 0 DIAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)OC1CCCCC1 ZINC000000420347 563611563 /nfs/dbraw/zinc/61/15/63/563611563.db2.gz CNXKKHXFPQJOFJ-UHFFFAOYSA-N 0 0 324.833 4.184 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1C ZINC000000423749 563612266 /nfs/dbraw/zinc/61/22/66/563612266.db2.gz PSXORZVPAXNAII-KRWDZBQOSA-N 0 0 301.386 4.221 50 0 DIAARN Cc1cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2[nH]1 ZINC000000429830 563613387 /nfs/dbraw/zinc/61/33/87/563613387.db2.gz UGRXJAUGEVYWEW-UHFFFAOYSA-N 0 0 313.788 4.451 50 0 DIAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1ccccc1 ZINC000000431043 563613697 /nfs/dbraw/zinc/61/36/97/563613697.db2.gz UHTYPZYNJBKHIV-UKTHLTGXSA-N 0 0 318.159 4.338 50 0 DIAARN O=C(CSC1CCCC1)Nc1ccccc1Br ZINC000003257947 563614290 /nfs/dbraw/zinc/61/42/90/563614290.db2.gz CJTGOVHZRDKZQA-UHFFFAOYSA-N 0 0 314.248 4.063 50 0 DIAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1cccs1 ZINC000000431094 563614534 /nfs/dbraw/zinc/61/45/34/563614534.db2.gz QLAKYCJHZGZENI-HNTZWPLZSA-N 0 0 315.781 4.411 50 0 DIAARN Cc1occc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000214520 563614625 /nfs/dbraw/zinc/61/46/25/563614625.db2.gz RPLMULVYHVTVEN-UHFFFAOYSA-N 0 0 305.377 4.431 50 0 DIAARN CC1CCC2(CC1)Nc1sc3c(c1C(=S)N2)CC[C@@H](C)C3 ZINC000000441502 563615006 /nfs/dbraw/zinc/61/50/06/563615006.db2.gz OXYJBAKNPJBJDZ-VVHFOWEKSA-N 0 0 320.527 4.470 50 0 DIAARN Cc1nc(Cl)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000000385224 563616283 /nfs/dbraw/zinc/61/62/83/563616283.db2.gz JFFIOTZQPDAKOT-ZETCQYMHSA-N 0 0 315.225 4.249 50 0 DIAARN Cc1[nH]nc(NC(=O)CCc2ccccc2)c1-c1cccc(C)c1 ZINC000075558970 563616849 /nfs/dbraw/zinc/61/68/49/563616849.db2.gz BUZAQHLLIGXIGR-UHFFFAOYSA-N 0 0 319.408 4.265 50 0 DIAARN O=C1C(=Cc2cccs2)NC(=S)N1c1ccc(Cl)cc1 ZINC000034093082 563620207 /nfs/dbraw/zinc/62/02/07/563620207.db2.gz DHKPVAMOLLIRGL-WQLSENKSSA-N 0 0 320.826 4.075 50 0 DIAARN Cc1[nH]c2cc(-c3ccc(Cl)cc3)nn2c(=O)c1C(C)C ZINC000136539820 563622896 /nfs/dbraw/zinc/62/28/96/563622896.db2.gz OTGSIJYFIPCVGT-UHFFFAOYSA-N 0 0 301.777 4.187 50 0 DIAARN Cc1nc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000206669628 563624183 /nfs/dbraw/zinc/62/41/83/563624183.db2.gz JLQJDMQYGTXHSK-AWEZNQCLSA-N 0 0 318.417 4.001 50 0 DIAARN COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000000133610 563627668 /nfs/dbraw/zinc/62/76/68/563627668.db2.gz HOLUIAIEGQGAGN-UHFFFAOYSA-N 0 0 313.397 4.010 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000000505794 563629815 /nfs/dbraw/zinc/62/98/15/563629815.db2.gz NMAIMVCGVBBJQR-CQSZACIVSA-N 0 0 313.397 4.226 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000000442532 563630433 /nfs/dbraw/zinc/63/04/33/563630433.db2.gz DEFUBEBESMQFEB-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000000414138 563630486 /nfs/dbraw/zinc/63/04/86/563630486.db2.gz ZDXCRVQGQRNLDM-UHFFFAOYSA-N 0 0 314.772 4.011 50 0 biogenic DIAARN O=S(=O)(Nc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000000572788 563631220 /nfs/dbraw/zinc/63/12/20/563631220.db2.gz BUHORDNWZKYPLC-UHFFFAOYSA-N 0 0 317.797 4.294 50 0 DIAARN CC(C)CNC(=S)Nc1ccccc1Oc1ccccc1 ZINC000000612027 563631831 /nfs/dbraw/zinc/63/18/31/563631831.db2.gz VEIADZQPWYBVNR-UHFFFAOYSA-N 0 0 300.427 4.421 50 0 DIAARN Cc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)o1 ZINC000000478005 563632064 /nfs/dbraw/zinc/63/20/64/563632064.db2.gz SIQPNIHKGXOWKX-BOPFTXTBSA-N 0 0 303.317 4.086 50 0 DIAARN CN(Cc1ccco1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000017790320 563633600 /nfs/dbraw/zinc/63/36/00/563633600.db2.gz IAEAWBHMRLRGSR-UHFFFAOYSA-N 0 0 307.349 4.344 50 0 DIAARN C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000017791998 563633617 /nfs/dbraw/zinc/63/36/17/563633617.db2.gz VUFVXCHNEYQNCF-HNNXBMFYSA-N 0 0 318.376 4.365 50 0 DIAARN CCCCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000003149450 563638024 /nfs/dbraw/zinc/63/80/24/563638024.db2.gz LYWLFWHVTSCUGC-UHFFFAOYSA-N 0 0 311.381 4.286 50 0 biogenic DIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1C(C)(C)C1(C)C ZINC000000483721 563645314 /nfs/dbraw/zinc/64/53/14/563645314.db2.gz MMVVCKDPNADCAF-UHFFFAOYSA-N 0 0 323.458 4.162 50 0 DIAARN COc1ccccc1COc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000000488569 563648382 /nfs/dbraw/zinc/64/83/82/563648382.db2.gz KWKYAXUXYZJZSQ-UHFFFAOYSA-N 0 0 324.376 4.306 50 0 biogenic DIAARN CC[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000583439899 563650691 /nfs/dbraw/zinc/65/06/91/563650691.db2.gz GQHYKMYMSVJXJM-UEDWAMCQSA-N 0 0 300.442 4.389 50 0 DIAARN CC1(C)CC(=O)c2c(=O)ccn(-c3cccc4ccccc43)c2C1 ZINC000000494828 563650848 /nfs/dbraw/zinc/65/08/48/563650848.db2.gz CEXKKNMDMFHNHK-UHFFFAOYSA-N 0 0 317.388 4.146 50 0 DIAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(C(C)C)n1 ZINC000000498710 563651516 /nfs/dbraw/zinc/65/15/16/563651516.db2.gz ZOMKJJMWVUQNGH-UHFFFAOYSA-N 0 0 309.369 4.321 50 0 DIAARN O=C(N[C@H]1CCSc2ccccc21)c1c[nH]c2ccccc12 ZINC000012805964 563653987 /nfs/dbraw/zinc/65/39/87/563653987.db2.gz LHXGKWMVKDZICB-INIZCTEOSA-N 0 0 308.406 4.135 50 0 DIAARN Cc1c(C)n(Cc2ccco2)c2ncn(C3CCCCC3)c(=N)c12 ZINC000101409359 563655645 /nfs/dbraw/zinc/65/56/45/563655645.db2.gz DQCZLNVBFZBVBL-UHFFFAOYSA-N 0 0 324.428 4.081 50 0 DIAARN CCCCc1ccc(Nc2c(N)oc(=O)c3ccccc32)cc1 ZINC000101425616 563655769 /nfs/dbraw/zinc/65/57/69/563655769.db2.gz GTKURPGHCXGDGB-UHFFFAOYSA-N 0 0 308.381 4.461 50 0 DIAARN COc1ccc(O[C@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000000514487 563661224 /nfs/dbraw/zinc/66/12/24/563661224.db2.gz FKNAMRRWWCGHPX-CYBMUJFWSA-N 0 0 310.353 4.194 50 0 DIAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(Cl)c23)CO1 ZINC000000521536 563664109 /nfs/dbraw/zinc/66/41/09/563664109.db2.gz CRJRZKFOXLSJOQ-CYBMUJFWSA-N 0 0 314.863 4.308 50 0 DIAARN CC(C)(C)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000000536573 563667175 /nfs/dbraw/zinc/66/71/75/563667175.db2.gz HBWSXWRFMUSIQF-UHFFFAOYSA-N 0 0 322.360 4.412 50 0 biogenic DIAARN Cn1c(S)cc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000000536345 563667325 /nfs/dbraw/zinc/66/73/25/563667325.db2.gz KDADYLBAGSYWPU-VIFPVBQESA-N 0 0 307.484 4.040 50 0 DIAARN COC(=O)/C=C/c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000000543574 563668794 /nfs/dbraw/zinc/66/87/94/563668794.db2.gz OBDRTEKNFJWXJM-YCRREMRBSA-N 0 0 313.740 4.334 50 0 DIAARN CCOc1ccc(NCc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000000545371 563669477 /nfs/dbraw/zinc/66/94/77/563669477.db2.gz USNQRMOYEJVPLD-UHFFFAOYSA-N 0 0 323.392 4.421 50 0 DIAARN COc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 ZINC000000567740 563671478 /nfs/dbraw/zinc/67/14/78/563671478.db2.gz TWNQKBRYHBTJCH-FNORWQNLSA-N 0 0 316.407 4.018 50 0 DIAARN O=C(Nc1ccc(Br)c(Cl)c1)C1CCCC1 ZINC000017030868 563676121 /nfs/dbraw/zinc/67/61/21/563676121.db2.gz OCNRRTFNSBSYQV-UHFFFAOYSA-N 0 0 302.599 4.231 50 0 DIAARN COCc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000046932322 563678348 /nfs/dbraw/zinc/67/83/48/563678348.db2.gz BQYCAQZONOAELX-UHFFFAOYSA-N 0 0 323.314 4.033 50 0 DIAARN O=C(Nc1ccc(F)cc1F)C1(c2cccs2)CCCC1 ZINC000012157653 563680984 /nfs/dbraw/zinc/68/09/84/563680984.db2.gz GZXASQXGQHXJCR-UHFFFAOYSA-N 0 0 307.365 4.477 50 0 DIAARN C[C@H]1CCN(C(=O)/C=C/c2ccccn2)c2ccccc2S1 ZINC000047519572 563681219 /nfs/dbraw/zinc/68/12/19/563681219.db2.gz KSXAHJOSUTXPDU-HBWSCVEGSA-N 0 0 310.422 4.012 50 0 DIAARN COc1cccc(Cc2csc(Nc3cnccc3C)n2)c1 ZINC000211138308 563682837 /nfs/dbraw/zinc/68/28/37/563682837.db2.gz SHRZBODGSDWCGL-UHFFFAOYSA-N 0 0 311.410 4.190 50 0 DIAARN O=C(Nc1cccs1)N1CCS[C@H](c2ccccc2)CC1 ZINC000211143894 563682895 /nfs/dbraw/zinc/68/28/95/563682895.db2.gz RAHBGRWQMYTXMF-AWEZNQCLSA-N 0 0 318.467 4.460 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000012229181 563683057 /nfs/dbraw/zinc/68/30/57/563683057.db2.gz SDZCSWWUOFFLPT-UHFFFAOYSA-N 0 0 308.356 4.438 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)[nH]n2)cc1 ZINC000044839114 563684777 /nfs/dbraw/zinc/68/47/77/563684777.db2.gz QQXRKZGZXDSTRO-ZDUSSCGKSA-N 0 0 323.371 4.015 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000051354260 563690515 /nfs/dbraw/zinc/69/05/15/563690515.db2.gz OVGYFLHQUNGCEE-UHFFFAOYSA-N 0 0 312.369 4.124 50 0 DIAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)cc1C ZINC000045901021 563690612 /nfs/dbraw/zinc/69/06/12/563690612.db2.gz JRCXPJCZEABVAN-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2c(C)cccc2C)cc1 ZINC000051354270 563690628 /nfs/dbraw/zinc/69/06/28/563690628.db2.gz BNDWBPYFQLHYHV-UHFFFAOYSA-N 0 0 312.369 4.124 50 0 DIAARN COc1ccccc1-c1ccccc1C(=O)N1CCCCCC1 ZINC000047988463 563692871 /nfs/dbraw/zinc/69/28/71/563692871.db2.gz SILRBLWTMSIJIH-UHFFFAOYSA-N 0 0 309.409 4.378 50 0 DIAARN Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000048263264 563694161 /nfs/dbraw/zinc/69/41/61/563694161.db2.gz ISPMJNUJOJTMKL-HNNXBMFYSA-N 0 0 314.454 4.456 50 0 DIAARN Cc1cc([C@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)on1 ZINC000048250757 563694917 /nfs/dbraw/zinc/69/49/17/563694917.db2.gz AAAUODJCXJWWQR-QGZVFWFLSA-N 0 0 323.396 4.284 50 0 DIAARN CCCCCC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000048312363 563696410 /nfs/dbraw/zinc/69/64/10/563696410.db2.gz NQQYXRYXKCZDGA-ZDUSSCGKSA-N 0 0 305.422 4.125 50 0 DIAARN CCCCCOc1ccc([C@H](C)NC(=O)C2CCC2)cc1OC ZINC000048325371 563696574 /nfs/dbraw/zinc/69/65/74/563696574.db2.gz DDVBGIHPTWJGTH-AWEZNQCLSA-N 0 0 319.445 4.242 50 0 DIAARN COCc1ccccc1CNC(=O)Nc1cc(Cl)ccc1C ZINC000048344533 563696857 /nfs/dbraw/zinc/69/68/57/563696857.db2.gz BFGVVRVOJUHIMH-UHFFFAOYSA-N 0 0 318.804 4.117 50 0 DIAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)Nc1ccccc1F ZINC000048341557 563697173 /nfs/dbraw/zinc/69/71/73/563697173.db2.gz AYRAZURRBPORLC-NSHDSACASA-N 0 0 306.768 4.232 50 0 DIAARN CC[C@@H](C(=O)NCCSCc1ccsc1)c1ccccc1 ZINC000048356351 563697460 /nfs/dbraw/zinc/69/74/60/563697460.db2.gz VPGUOSIQDJNFCW-MRXNPFEDSA-N 0 0 319.495 4.291 50 0 DIAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000048412825 563697995 /nfs/dbraw/zinc/69/79/95/563697995.db2.gz LPQGGHLRQQVTKP-OAHLLOKOSA-N 0 0 306.192 4.411 50 0 DIAARN CCOc1cccc(CNC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000048376413 563698064 /nfs/dbraw/zinc/69/80/64/563698064.db2.gz ONPROVLIDFZVHJ-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN CCCOc1ccc([C@H](C)NC(=O)c2ccsc2)cc1OC ZINC000048501028 563699225 /nfs/dbraw/zinc/69/92/25/563699225.db2.gz JIGGSVOFKHKXDM-LBPRGKRZSA-N 0 0 319.426 4.037 50 0 DIAARN CCc1sc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1C ZINC000048532135 563699306 /nfs/dbraw/zinc/69/93/06/563699306.db2.gz IBKORZPNNHOVGP-DHZHZOJOSA-N 0 0 303.408 4.025 50 0 DIAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000090614397 563699672 /nfs/dbraw/zinc/69/96/72/563699672.db2.gz YWYQTGBBEZQBGO-PPIROARLSA-N 0 0 320.517 4.387 50 0 DIAARN Cc1nn(C)c2c1[C@@H](c1cccc3ccccc31)SCC(=O)N2 ZINC000049550230 563701938 /nfs/dbraw/zinc/70/19/38/563701938.db2.gz JZZNKOIYGRQYGG-QGZVFWFLSA-N 0 0 323.421 4.306 50 0 DIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1c(F)cccc1F ZINC000049549191 563701956 /nfs/dbraw/zinc/70/19/56/563701956.db2.gz LFRYTJCNXXRXEB-SECBINFHSA-N 0 0 305.328 4.040 50 0 DIAARN COc1ccc2c(cc(C(=O)Nc3c(C)cccc3C)n2C)c1 ZINC000049728930 563702386 /nfs/dbraw/zinc/70/23/86/563702386.db2.gz DXXASWSCDZGQHM-UHFFFAOYSA-N 0 0 308.381 4.056 50 0 DIAARN COc1ccc(C(=O)CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000049921831 563702568 /nfs/dbraw/zinc/70/25/68/563702568.db2.gz KKUBLQUNYSUTEB-UHFFFAOYSA-N 0 0 310.180 4.297 50 0 DIAARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 ZINC000215851588 563707358 /nfs/dbraw/zinc/70/73/58/563707358.db2.gz XJFWCLYNTSVJIX-UHFFFAOYSA-N 0 0 304.180 4.428 50 0 DIAARN CC(=O)c1cc(CN2CCCC[C@H]2c2nccs2)cs1 ZINC000216110082 563708496 /nfs/dbraw/zinc/70/84/96/563708496.db2.gz QCJGWBKFAQUVHD-ZDUSSCGKSA-N 0 0 306.456 4.134 50 0 DIAARN CCCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccs1 ZINC000006934823 563708903 /nfs/dbraw/zinc/70/89/03/563708903.db2.gz SUMVVAGHWIXKSN-UHFFFAOYSA-N 0 0 323.439 4.246 50 0 DIAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCCC1 ZINC000012321986 563713045 /nfs/dbraw/zinc/71/30/45/563713045.db2.gz LZDPBGUFZUZMGT-IBGZPJMESA-N 0 0 320.392 4.056 50 0 DIAARN Cc1nc2sc3c(c2c(N2C[C@@H](C)C[C@H](C)C2)n1)CCCC3 ZINC000000753852 563713114 /nfs/dbraw/zinc/71/31/14/563713114.db2.gz QCJPRMJXDIUYRI-RYUDHWBXSA-N 0 0 315.486 4.361 50 0 DIAARN COc1ccccc1Nc1nc(C)nc2sc3c(c21)CCC3 ZINC000000753800 563713244 /nfs/dbraw/zinc/71/32/44/563713244.db2.gz JBABWVXQGKKWQX-UHFFFAOYSA-N 0 0 311.410 4.241 50 0 DIAARN CC(C)C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000007185609 563714500 /nfs/dbraw/zinc/71/45/00/563714500.db2.gz JSJCFRKXVYARQW-LJQANCHMSA-N 0 0 310.441 4.270 50 0 DIAARN O=C(NC1CC1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 ZINC000007910275 563717375 /nfs/dbraw/zinc/71/73/75/563717375.db2.gz HEZKJNAFDYLYJG-MRXNPFEDSA-N 0 0 317.841 4.452 50 0 DIAARN O=C(C1CCC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007947116 563718098 /nfs/dbraw/zinc/71/80/98/563718098.db2.gz JESMTTWCBGGTJB-HNNXBMFYSA-N 0 0 303.452 4.084 50 0 DIAARN CO[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000008106366 563719264 /nfs/dbraw/zinc/71/92/64/563719264.db2.gz MHIBFVBIXVCXMX-CQSZACIVSA-N 0 0 310.180 4.320 50 0 DIAARN O=C1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1 ZINC000008297697 563721421 /nfs/dbraw/zinc/72/14/21/563721421.db2.gz HEQZBIBYIQAUMZ-UHFFFAOYSA-N 0 0 322.389 4.067 50 0 DIAARN COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000818118 563721496 /nfs/dbraw/zinc/72/14/96/563721496.db2.gz MPWSMSIPFHFSJK-IBGZPJMESA-N 0 0 305.381 4.148 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1Cl ZINC000000430875 563724001 /nfs/dbraw/zinc/72/40/01/563724001.db2.gz VTOFPJIQRXTHBK-ZROIWOOFSA-N 0 0 318.159 4.338 50 0 DIAARN C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1nc2ccccc2o1 ZINC000033235590 563724154 /nfs/dbraw/zinc/72/41/54/563724154.db2.gz FPFHYAUQODUPGV-VMPCVLLUSA-N 0 0 312.394 4.122 50 0 DIAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000025248039 563725940 /nfs/dbraw/zinc/72/59/40/563725940.db2.gz UXZAFDOLHQOKQD-ZWNOBZJWSA-N 0 0 313.228 4.183 50 0 DIAARN CN(CC(F)F)C(=O)c1ccccc1Sc1ccccc1 ZINC000225414712 563754061 /nfs/dbraw/zinc/75/40/61/563754061.db2.gz CYYNZVHZYFJINL-UHFFFAOYSA-N 0 0 307.365 4.175 50 0 DIAARN CCCOc1ccccc1NC(=O)c1ccc2nc(C)oc2c1 ZINC000225396109 563754075 /nfs/dbraw/zinc/75/40/75/563754075.db2.gz JMKCLMPPQXJYJF-UHFFFAOYSA-N 0 0 310.353 4.177 50 0 DIAARN C[C@H](CCc1cccc(F)c1)N1CCCN1C(=O)OC(C)(C)C ZINC000225417806 563754530 /nfs/dbraw/zinc/75/45/30/563754530.db2.gz GZSQSUYWSCHLNT-CQSZACIVSA-N 0 0 322.424 4.005 50 0 DIAARN CCCc1ccc(C(=O)Nc2ccc(CCCCO)cc2)cc1 ZINC000225434521 563755205 /nfs/dbraw/zinc/75/52/05/563755205.db2.gz VHYVOODIACQGCS-UHFFFAOYSA-N 0 0 311.425 4.206 50 0 DIAARN c1csc(-c2nc(CN3CCCOc4ccccc43)co2)c1 ZINC000225497773 563757048 /nfs/dbraw/zinc/75/70/48/563757048.db2.gz VHLBODRHBNUPJM-UHFFFAOYSA-N 0 0 312.394 4.192 50 0 DIAARN Cc1ccc(OCc2nc3ccccc3n2C[C@H]2CCCO2)cc1 ZINC000225506662 563757367 /nfs/dbraw/zinc/75/73/67/563757367.db2.gz QDEAXEMZYFNJHE-QGZVFWFLSA-N 0 0 322.408 4.103 50 0 DIAARN C[C@@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000030547754 563762807 /nfs/dbraw/zinc/76/28/07/563762807.db2.gz WSWWIOBDJBKEQS-CYBMUJFWSA-N 0 0 324.449 4.308 50 0 DIAARN CCN(c1ccc(NC(=O)c2ccc(Cl)o2)cc1)C(C)C ZINC000030675837 563766033 /nfs/dbraw/zinc/76/60/33/563766033.db2.gz BDZOUEOTPRCQFS-UHFFFAOYSA-N 0 0 306.793 4.420 50 0 DIAARN c1ccc(-c2nn3c(-c4cccnc4)nnc3c3ccccc32)cc1 ZINC000012390067 563768421 /nfs/dbraw/zinc/76/84/21/563768421.db2.gz VUBCQYQUGJMGRP-UHFFFAOYSA-N 0 0 323.359 4.007 50 0 DIAARN Cc1c2ccccc2oc1C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000041155507 563770866 /nfs/dbraw/zinc/77/08/66/563770866.db2.gz POXLWYQNERQZAM-GFCCVEGCSA-N 0 0 307.349 4.169 50 0 DIAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc2ccccc2o1 ZINC000012435497 563774237 /nfs/dbraw/zinc/77/42/37/563774237.db2.gz NLWDLPZTCQHUQK-UHFFFAOYSA-N 0 0 320.348 4.034 50 0 DIAARN CCC[C@](C)(CC)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000241693850 563778102 /nfs/dbraw/zinc/77/81/02/563778102.db2.gz QIFZLKDRBGMGOU-QAPCUYQASA-N 0 0 307.409 4.372 50 0 DIAARN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1F ZINC000242317059 563778403 /nfs/dbraw/zinc/77/84/03/563778403.db2.gz YWYYVRORTUXFDG-MLGOLLRUSA-N 0 0 300.377 4.174 50 0 DIAARN O=C(NC(C1CC1)C1CC1)c1ccc(Oc2ccccc2)cc1 ZINC000025155141 563784228 /nfs/dbraw/zinc/78/42/28/563784228.db2.gz UUWBQORGGQEJLM-UHFFFAOYSA-N 0 0 307.393 4.397 50 0 DIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000253497608 563784628 /nfs/dbraw/zinc/78/46/28/563784628.db2.gz WYZDXEKUWRCKOB-UDERSWLKSA-N 0 0 304.474 4.349 50 0 DIAARN CC[C@H](C)N1C(=O)S/C(=C\c2cn(C)c3ccccc23)C1=O ZINC000000980894 563785615 /nfs/dbraw/zinc/78/56/15/563785615.db2.gz NBXPZAHAEKDHRP-GPILYODUSA-N 0 0 314.410 4.013 50 0 DIAARN O=C(/C=C/c1ccccc1)OCc1cnc(-c2ccccc2)o1 ZINC000000973252 563785912 /nfs/dbraw/zinc/78/59/12/563785912.db2.gz HMCVVHZNVKOBSH-VAWYXSNFSA-N 0 0 305.333 4.098 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000001006616 563786774 /nfs/dbraw/zinc/78/67/74/563786774.db2.gz VOZPRIVYTDHSAZ-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025314371 563787278 /nfs/dbraw/zinc/78/72/78/563787278.db2.gz WCGILYXHFNXJQO-INIZCTEOSA-N 0 0 314.360 4.203 50 0 DIAARN O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011146 563787475 /nfs/dbraw/zinc/78/74/75/563787475.db2.gz NFSIMQAJJFWONM-XNTDXEJSSA-N 0 0 313.353 4.062 50 0 DIAARN Cc1nc2ncccn2c1-c1csc(Nc2ccccc2C)n1 ZINC000001065900 563787977 /nfs/dbraw/zinc/78/79/77/563787977.db2.gz BBBFSSLLKNJWDP-UHFFFAOYSA-N 0 0 321.409 4.213 50 0 DIAARN Cc1nc(Cl)c(C(=O)Nc2cccc(F)c2)c(C)c1Cl ZINC000001079418 563788229 /nfs/dbraw/zinc/78/82/29/563788229.db2.gz PTVCEVZPEVJFJM-UHFFFAOYSA-N 0 0 313.159 4.397 50 0 DIAARN Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)c(C)s1 ZINC000001075641 563788396 /nfs/dbraw/zinc/78/83/96/563788396.db2.gz NMOFDVAZSKDQMA-UHFFFAOYSA-N 0 0 323.483 4.463 50 0 DIAARN Cc1nccnc1-c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000382713943 563788967 /nfs/dbraw/zinc/78/89/67/563788967.db2.gz IWJGLTLOMLASGO-UHFFFAOYSA-N 0 0 319.792 4.452 50 0 DIAARN O=C(CSCCc1ccccn1)Nc1cccc2ccccc21 ZINC000002499555 563789184 /nfs/dbraw/zinc/78/91/84/563789184.db2.gz WBEPFUVDEZVFCC-UHFFFAOYSA-N 0 0 322.433 4.149 50 0 DIAARN C[C@@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000182554466 563794067 /nfs/dbraw/zinc/79/40/67/563794067.db2.gz WQZHIRHWRDTGCX-CQSZACIVSA-N 0 0 307.349 4.189 50 0 DIAARN C[C@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000182554524 563794086 /nfs/dbraw/zinc/79/40/86/563794086.db2.gz WQZHIRHWRDTGCX-AWEZNQCLSA-N 0 0 307.349 4.189 50 0 DIAARN Fc1c(Br)ccc(C(F)(F)F)c1Br ZINC000263623997 563794453 /nfs/dbraw/zinc/79/44/53/563794453.db2.gz MMJQTYRFUGOVMF-UHFFFAOYSA-N 0 0 321.893 4.370 50 0 DIAARN CC(=O)c1c(Cl)ccc(Br)c1C(F)(F)F ZINC000263622852 563794496 /nfs/dbraw/zinc/79/44/96/563794496.db2.gz BKRIELLJVDFSIR-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN CC(=O)c1ccc(OCc2nc3ccccc3n2C(F)F)cc1 ZINC000031676015 563795965 /nfs/dbraw/zinc/79/59/65/563795965.db2.gz OWFYDEDCTNIJQS-UHFFFAOYSA-N 0 0 316.307 4.213 50 0 DIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(F)cc1Cl ZINC000031588039 563796330 /nfs/dbraw/zinc/79/63/30/563796330.db2.gz PMAVDSBGMINMMM-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(-n2cccc2)c1 ZINC000012516255 563796867 /nfs/dbraw/zinc/79/68/67/563796867.db2.gz GZIKBHRCLOMFOG-MRXNPFEDSA-N 0 0 316.404 4.459 50 0 DIAARN COc1ccc2cc([C@H](C)C(=O)Nc3ncccc3C)ccc2c1 ZINC000012523487 563797374 /nfs/dbraw/zinc/79/73/74/563797374.db2.gz YLDFVJBHLFLYAN-AWEZNQCLSA-N 0 0 320.392 4.294 50 0 DIAARN c1sc(-c2ccccn2)nc1CSc1nc2ccccc2[nH]1 ZINC000012525411 563797797 /nfs/dbraw/zinc/79/77/97/563797797.db2.gz ZMSIPZHGLPZMIN-UHFFFAOYSA-N 0 0 324.434 4.374 50 0 DIAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000012532189 563798295 /nfs/dbraw/zinc/79/82/95/563798295.db2.gz RRBQZGOPYXKXID-HNNXBMFYSA-N 0 0 320.396 4.063 50 0 DIAARN Cc1cccn2cc(COC(=O)c3cc4ccccc4s3)nc12 ZINC000012535473 563798930 /nfs/dbraw/zinc/79/89/30/563798930.db2.gz UWSCMZJEOKOMRV-UHFFFAOYSA-N 0 0 322.389 4.214 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000002159427 563799209 /nfs/dbraw/zinc/79/92/09/563799209.db2.gz PJTGTQCMCBSMLP-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN CCOc1ccc2nc(SCC(=O)c3ccco3)sc2c1 ZINC000003217756 563799242 /nfs/dbraw/zinc/79/92/42/563799242.db2.gz PUKHNWKHZGOGKN-UHFFFAOYSA-N 0 0 319.407 4.263 50 0 DIAARN C[C@@H](Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1ccccc1 ZINC000012539922 563799685 /nfs/dbraw/zinc/79/96/85/563799685.db2.gz SLTVQNFMBMUOBY-OAHLLOKOSA-N 0 0 324.424 4.447 50 0 DIAARN Cc1cc(C)cc(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000012555599 563800959 /nfs/dbraw/zinc/80/09/59/563800959.db2.gz KEKVQXJOAVPHCZ-UHFFFAOYSA-N 0 0 306.409 4.078 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)Nc1ccc(Cl)cc1 ZINC000012593934 563802934 /nfs/dbraw/zinc/80/29/34/563802934.db2.gz MYDLEUDENJMINK-UHFFFAOYSA-N 0 0 307.806 4.319 50 0 DIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc2ncccc21 ZINC000012606349 563803412 /nfs/dbraw/zinc/80/34/12/563803412.db2.gz GVADZSQEACDMPY-UHFFFAOYSA-N 0 0 320.436 4.181 50 0 DIAARN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012617334 563803794 /nfs/dbraw/zinc/80/37/94/563803794.db2.gz RXDCUSXGFGVFQP-NWDGAFQWSA-N 0 0 324.346 4.013 50 0 DIAARN CC[C@H](NC(=O)CCCc1ccc(F)cc1)c1cccc(C)n1 ZINC000299781472 563805691 /nfs/dbraw/zinc/80/56/91/563805691.db2.gz DSBJPBNPPSSXNS-KRWDZBQOSA-N 0 0 314.404 4.119 50 0 DIAARN COc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@H]1C ZINC000299770303 563805759 /nfs/dbraw/zinc/80/57/59/563805759.db2.gz RGTONBWCAFAWKO-CQSZACIVSA-N 0 0 310.397 4.378 50 0 DIAARN COCc1cccc(C(=O)N2CCC3(C2)CCCCCC3)c1 ZINC000299784744 563805794 /nfs/dbraw/zinc/80/57/94/563805794.db2.gz PIXCHIUPCISYRY-UHFFFAOYSA-N 0 0 301.430 4.020 50 0 DIAARN CCC[C@H](NC(=O)Nc1ccc(Cl)c(C)c1)c1nccn1C ZINC000299769565 563805931 /nfs/dbraw/zinc/80/59/31/563805931.db2.gz OBWOJGLHLUUNMV-AWEZNQCLSA-N 0 0 320.824 4.045 50 0 DIAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000052803639 563808030 /nfs/dbraw/zinc/80/80/30/563808030.db2.gz FNRJSDNSXYYKNR-MLGOLLRUSA-N 0 0 318.417 4.051 50 0 DIAARN CCOc1ccccc1C[S@@](=O)[C@H](C)c1ccc(F)cc1 ZINC000078555959 563808563 /nfs/dbraw/zinc/80/85/63/563808563.db2.gz NSBBLXIOZIRASZ-ASSNKEHSSA-N 0 0 306.402 4.234 50 0 DIAARN C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 ZINC000032037806 563808669 /nfs/dbraw/zinc/80/86/69/563808669.db2.gz AXYSDGLHTLZLQI-LDWIPMOCSA-N 0 0 312.649 4.163 50 0 DIAARN C[C@@H]1C[C@H](C)CN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000012684533 563810168 /nfs/dbraw/zinc/81/01/68/563810168.db2.gz GBJUIRCRZKYMLU-PHIMTYICSA-N 0 0 309.335 4.131 50 0 DIAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000248379710 563812350 /nfs/dbraw/zinc/81/23/50/563812350.db2.gz NQUQIAYCNLKMTR-VNXBCOTQSA-N 0 0 316.441 4.265 50 0 DIAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccccc1CC ZINC000045901048 563813159 /nfs/dbraw/zinc/81/31/59/563813159.db2.gz JKPBZBXIERCKQU-UHFFFAOYSA-N 0 0 321.380 4.113 50 0 DIAARN CSc1nc2c3ccccc3sc2c(N2CCCC2)n1 ZINC000001384004 563814365 /nfs/dbraw/zinc/81/43/65/563814365.db2.gz OTMNWLDRKSYTOD-UHFFFAOYSA-N 0 0 301.440 4.167 50 0 DIAARN O=C(N/C=C/c1ccco1)OCc1ccc(C(F)(F)F)cc1 ZINC000001382468 563814580 /nfs/dbraw/zinc/81/45/80/563814580.db2.gz AIMVQUHGKXAMLK-BQYQJAHWSA-N 0 0 311.259 4.196 50 0 DIAARN Cc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2o1 ZINC000001384461 563814593 /nfs/dbraw/zinc/81/45/93/563814593.db2.gz QVTIYNCAFMSHLW-UHFFFAOYSA-N 0 0 320.270 4.407 50 0 DIAARN COc1cc2ncnc(Nc3ccc(C)cc3C)c2cc1OC ZINC000001386784 563815076 /nfs/dbraw/zinc/81/50/76/563815076.db2.gz ANBPMJPMSHSIPA-UHFFFAOYSA-N 0 0 309.369 4.007 50 0 DIAARN Cc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1 ZINC000001394146 563817382 /nfs/dbraw/zinc/81/73/82/563817382.db2.gz KHAMPGANHJUYBL-UHFFFAOYSA-N 0 0 308.337 4.399 50 0 DIAARN Cc1ccc(C(=O)Nc2c(C)cc(-c3ccccc3)oc2=O)cc1 ZINC000001398215 563818004 /nfs/dbraw/zinc/81/80/04/563818004.db2.gz TWUDZLOPXCZNCA-UHFFFAOYSA-N 0 0 319.360 4.176 50 0 DIAARN O=C1NN=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000001397715 563818091 /nfs/dbraw/zinc/81/80/91/563818091.db2.gz LDIYOSADHQQGOG-CYBMUJFWSA-N 0 0 319.191 4.001 50 0 DIAARN CC(=O)[C@H](Cc1ncc(Cl)s1)Cc1ccc(Cl)cc1 ZINC000001403852 563818603 /nfs/dbraw/zinc/81/86/03/563818603.db2.gz AVQYOAVTGFFBFF-NSHDSACASA-N 0 0 314.237 4.440 50 0 DIAARN O=C(NCc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000001405225 563819511 /nfs/dbraw/zinc/81/95/11/563819511.db2.gz HSCHOURBOPHTQQ-UHFFFAOYSA-N 0 0 313.706 4.289 50 0 DIAARN CCOC(=O)/C=C1\C=CC=CN1Cc1ccc(C(F)(F)F)cc1 ZINC000001406419 563819528 /nfs/dbraw/zinc/81/95/28/563819528.db2.gz NLOMSVHBVJLOCR-RVDMUPIBSA-N 0 0 323.314 4.038 50 0 DIAARN Cc1cc(-c2noc(CCc3ccccc3)n2)c2ccccc2n1 ZINC000001426815 563823599 /nfs/dbraw/zinc/82/35/99/563823599.db2.gz YSOAHODQZHNIMR-UHFFFAOYSA-N 0 0 315.376 4.378 50 0 DIAARN CCOc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000012751127 563823985 /nfs/dbraw/zinc/82/39/85/563823985.db2.gz XKGXOYNSRRMZPC-ZQIUZPCESA-N 0 0 304.434 4.024 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccs1 ZINC000012753921 563824875 /nfs/dbraw/zinc/82/48/75/563824875.db2.gz JLYSLBHNXBXHOA-WDEREUQCSA-N 0 0 309.818 4.046 50 0 DIAARN CC(=O)c1ccc(N2CCCC2)cc1OCc1cccc(C)c1 ZINC000084210723 563825417 /nfs/dbraw/zinc/82/54/17/563825417.db2.gz IHNRDNAFUDPJRW-UHFFFAOYSA-N 0 0 309.409 4.377 50 0 DIAARN Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)o1 ZINC000012764382 563826312 /nfs/dbraw/zinc/82/63/12/563826312.db2.gz PUJIYXBKQDZYLB-UHFFFAOYSA-N 0 0 313.275 4.090 50 0 DIAARN c1ccc(CC[C@@H]2CCCN2c2cnc3ccccc3n2)cc1 ZINC000084528498 563827827 /nfs/dbraw/zinc/82/78/27/563827827.db2.gz HEBWQBKNRHHKBS-KRWDZBQOSA-N 0 0 303.409 4.231 50 0 DIAARN Cc1cc(C)c(SCc2nc(=O)c3sccc3[n-]2)c(C)c1 ZINC000012771617 563828199 /nfs/dbraw/zinc/82/81/99/563828199.db2.gz BRMQRAJDXBRBOJ-UHFFFAOYSA-N 0 0 316.451 4.202 50 0 DIAARN COc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1-c1ccccc1 ZINC000084636279 563828932 /nfs/dbraw/zinc/82/89/32/563828932.db2.gz JLVWAGJZOHQVND-CQSZACIVSA-N 0 0 309.409 4.233 50 0 DIAARN CC(C)c1nc(C[S@](=O)[C@H](C)c2ccc(F)cc2)cs1 ZINC000084631046 563829157 /nfs/dbraw/zinc/82/91/57/563829157.db2.gz CDPYAFQHVQENRQ-BIBXISHDSA-N 0 0 311.447 4.416 50 0 DIAARN CC(C)c1nc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)cs1 ZINC000084631043 563829297 /nfs/dbraw/zinc/82/92/97/563829297.db2.gz CDPYAFQHVQENRQ-PRWKNARSSA-N 0 0 311.447 4.416 50 0 DIAARN Cc1nc(C)c(C(=O)O[C@@H](c2ccccc2)c2ccccn2)s1 ZINC000074093634 563829761 /nfs/dbraw/zinc/82/97/61/563829761.db2.gz DVSYHZHPPDGHBD-INIZCTEOSA-N 0 0 324.405 4.101 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2ccccc21 ZINC000012776925 563829833 /nfs/dbraw/zinc/82/98/33/563829833.db2.gz OJICQIWNDKJESP-ZDUSSCGKSA-N 0 0 320.364 4.323 50 0 DIAARN CN(Cc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012783408 563831249 /nfs/dbraw/zinc/83/12/49/563831249.db2.gz VOUXYZZKGIBSKD-UHFFFAOYSA-N 0 0 318.420 4.319 50 0 DIAARN Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)o1 ZINC000012783496 563831409 /nfs/dbraw/zinc/83/14/09/563831409.db2.gz RSGDOIRWPMNVIE-CQSZACIVSA-N 0 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MIDUAHOHTCNZRL-UHFFFAOYSA-N 0 0 322.433 4.380 50 0 DIAARN CCCOc1ccc(NCCC(=O)c2ccc(OC)cc2)cc1 ZINC000012411344 563837132 /nfs/dbraw/zinc/83/71/32/563837132.db2.gz AYSNPGKPYFAPGE-UHFFFAOYSA-N 0 0 313.397 4.169 50 0 DIAARN C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21C ZINC000001481965 563839072 /nfs/dbraw/zinc/83/90/72/563839072.db2.gz VWAUPFMBXBWEQY-BQJUDKOJSA-N 0 0 310.437 4.276 50 0 in-vitro DIAARN CCCCc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000002080112 563843011 /nfs/dbraw/zinc/84/30/11/563843011.db2.gz WGTGTZGLQIZWPH-UHFFFAOYSA-N 0 0 313.397 4.299 50 0 DIAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCc2ccccc2C1 ZINC000012849530 563844323 /nfs/dbraw/zinc/84/43/23/563844323.db2.gz NDXFUYUXIKAYEK-UHFFFAOYSA-N 0 0 309.340 4.079 50 0 DIAARN Cc1ccccc1CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000012855565 563844809 /nfs/dbraw/zinc/84/48/09/563844809.db2.gz NVOAZFIHAZZEPL-UHFFFAOYSA-N 0 0 322.433 4.091 50 0 DIAARN CC(C)(C)c1nnc(CNc2cc(-c3ccco3)ccc2F)o1 ZINC000086211309 563845200 /nfs/dbraw/zinc/84/52/00/563845200.db2.gz RGSRIURKGYDPAU-UHFFFAOYSA-N 0 0 315.348 4.378 50 0 DIAARN Cc1cccc(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)c1 ZINC000005337770 563845550 /nfs/dbraw/zinc/84/55/50/563845550.db2.gz ADJGISJIAAYHIX-UHFFFAOYSA-N 0 0 307.393 4.219 50 0 DIAARN COc1ccc2c(c1)N[C@@]1(C)CCC3(SCCS3)[C@]21C ZINC000000402401 563846760 /nfs/dbraw/zinc/84/67/60/563846760.db2.gz VXBBLKRRLJYDGU-LSDHHAIUSA-N 0 0 307.484 4.107 50 0 DIAARN COc1ccc2c(c1)N[C@]1(C)CCC3(SCCS3)[C@]21C ZINC000000402402 563846785 /nfs/dbraw/zinc/84/67/85/563846785.db2.gz VXBBLKRRLJYDGU-HUUCEWRRSA-N 0 0 307.484 4.107 50 0 DIAARN c1ccc(COC[C@@H]2C[C@]3(CCCO3)C[C@]3(CCCO3)C2)cc1 ZINC000101143212 563848907 /nfs/dbraw/zinc/84/89/07/563848907.db2.gz WVICWJJMEFHKBE-OWZKRDHZSA-N 0 0 316.441 4.102 50 0 DIAARN C/C(=C\CC[C@H](C)CCO)COCOCC[Si](C)(C)C ZINC000169831749 563849564 /nfs/dbraw/zinc/84/95/64/563849564.db2.gz RMHWKXITZGSGSF-MDNIKOHYSA-N 0 0 302.531 4.060 50 0 DIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCC[C@H](C)C1 ZINC000002795808 563851010 /nfs/dbraw/zinc/85/10/10/563851010.db2.gz IGPYIFUVNQMBFG-ZDUSSCGKSA-N 0 0 309.837 4.066 50 0 DIAARN COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012892236 563852451 /nfs/dbraw/zinc/85/24/51/563852451.db2.gz LWRRCNJPEFWMPU-QGZVFWFLSA-N 0 0 315.800 4.230 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000012906017 563853167 /nfs/dbraw/zinc/85/31/67/563853167.db2.gz DFYSTSKFWFAXJJ-LJQANCHMSA-N 0 0 320.392 4.154 50 0 DIAARN Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1C ZINC000012916480 563853945 /nfs/dbraw/zinc/85/39/45/563853945.db2.gz NBCXDRGAFRPNAR-UHFFFAOYSA-N 0 0 321.420 4.394 50 0 DIAARN COc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000012927493 563854913 /nfs/dbraw/zinc/85/49/13/563854913.db2.gz ISHOFPCSSTXTFN-UHFFFAOYSA-N 0 0 320.392 4.308 50 0 DIAARN O=C(NCCc1ccc(-c2ccsc2)s1)[C@@H]1CC=CCC1 ZINC000575414085 563856102 /nfs/dbraw/zinc/85/61/02/563856102.db2.gz RCUUGWRRGPTCQM-CYBMUJFWSA-N 0 0 317.479 4.492 50 0 DIAARN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl ZINC000075107185 563859976 /nfs/dbraw/zinc/85/99/76/563859976.db2.gz ILMOLADZJLPHSM-GXTWGEPZSA-N 0 0 317.791 4.497 50 0 DIAARN C[C@@H]1C[C@H]1c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 ZINC000075134638 563860760 /nfs/dbraw/zinc/86/07/60/563860760.db2.gz GCGVPMCXKSWDRY-ZWNOBZJWSA-N 0 0 318.336 4.063 50 0 DIAARN C[C@@H](NCc1cccc(O)c1)c1nc(-c2ccccc2)cs1 ZINC000075134331 563860770 /nfs/dbraw/zinc/86/07/70/563860770.db2.gz GXOCCIUPMOEFGW-CYBMUJFWSA-N 0 0 310.422 4.367 50 0 DIAARN Cc1ccccc1NC(=O)N(CCc1cccs1)C1CC1 ZINC000075154828 563860780 /nfs/dbraw/zinc/86/07/80/563860780.db2.gz PTXLKAAUVIPKID-UHFFFAOYSA-N 0 0 300.427 4.296 50 0 DIAARN Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1 ZINC000075172171 563861366 /nfs/dbraw/zinc/86/13/66/563861366.db2.gz BVDPYPOPIFMTLO-UHFFFAOYSA-N 0 0 320.352 4.221 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC(c2ccsc2)CC1 ZINC000075157119 563861427 /nfs/dbraw/zinc/86/14/27/563861427.db2.gz SOZWDVLZPXYDHE-UHFFFAOYSA-N 0 0 319.857 4.350 50 0 DIAARN Cc1cc2c(cc1N)N[C@H]([C@@]1(C)Cc3ccccc3C1(C)C)CN2 ZINC000075249175 563861725 /nfs/dbraw/zinc/86/17/25/563861725.db2.gz UJSDBBBAQCJNJJ-PZJWPPBQSA-N 0 0 321.468 4.323 50 0 DIAARN Cc1nnc(Sc2cc(C)nc3c(C)ccc(Cl)c23)[nH]1 ZINC000075260383 563862362 /nfs/dbraw/zinc/86/23/62/563862362.db2.gz ZJMLZQVBMPFTAU-UHFFFAOYSA-N 0 0 304.806 4.083 50 0 DIAARN COC(=O)[C@@H]1CC(/C=C/c2ccccc2)=N[C@@H]1c1ccccc1 ZINC000075260281 563862457 /nfs/dbraw/zinc/86/24/57/563862457.db2.gz OYLFMTAITWQLSG-WTWCKAPFSA-N 0 0 305.377 4.075 50 0 DIAARN Cc1ccc(C(=O)c2sc3c(c2N)C(=O)CC(C)(C)C3)cc1 ZINC000075280089 563862829 /nfs/dbraw/zinc/86/28/29/563862829.db2.gz KJFYJMUMBCICKQ-UHFFFAOYSA-N 0 0 313.422 4.025 50 0 DIAARN O=C1c2ccccc2C(=O)N1Cc1sccc1-c1ccccc1 ZINC000075279650 563862897 /nfs/dbraw/zinc/86/28/97/563862897.db2.gz FRDKICLASNRMMO-UHFFFAOYSA-N 0 0 319.385 4.211 50 0 DIAARN O=C(/C=C/c1ccccc1)NCc1ccc(-c2cccs2)o1 ZINC000575608341 563865206 /nfs/dbraw/zinc/86/52/06/563865206.db2.gz JXLPZTOMGQHAPD-DHZHZOJOSA-N 0 0 309.390 4.338 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)c1cc2ccccc2o1 ZINC000575609198 563865794 /nfs/dbraw/zinc/86/57/94/563865794.db2.gz RKVMAAPZSCDHAQ-UHFFFAOYSA-N 0 0 307.305 4.216 50 0 DIAARN COC(=O)c1sc(-c2cccs2)cc1NC(=O)C(C)(C)C ZINC000000117122 563865820 /nfs/dbraw/zinc/86/58/20/563865820.db2.gz ZKLAAUOGKJPOJG-UHFFFAOYSA-N 0 0 323.439 4.248 50 0 DIAARN O=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2o1 ZINC000575611572 563866288 /nfs/dbraw/zinc/86/62/88/563866288.db2.gz WVRBBKKBBMXLQY-UHFFFAOYSA-N 0 0 307.305 4.216 50 0 DIAARN CCn1cnc2cc(-c3noc(/C=C/c4ccccc4)n3)ccc21 ZINC000035453513 563867876 /nfs/dbraw/zinc/86/78/76/563867876.db2.gz MVNYXPHWMAVUKP-DHZHZOJOSA-N 0 0 316.364 4.277 50 0 DIAARN C[C@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccco1 ZINC000575621467 563868113 /nfs/dbraw/zinc/86/81/13/563868113.db2.gz OOHDHUJCMLANTE-MMQHEFTJSA-N 0 0 311.406 4.255 50 0 DIAARN CO[C@@H](C(=O)Nc1cc(-c2ccccc2)ns1)c1ccccc1 ZINC000118617367 563870165 /nfs/dbraw/zinc/87/01/65/563870165.db2.gz JCCOLZFHKVAOES-QGZVFWFLSA-N 0 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309.316 4.226 50 0 DIAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc2ccc(C)cc2c1 ZINC000000227441 563873971 /nfs/dbraw/zinc/87/39/71/563873971.db2.gz QGDIYIHLJAVATH-KRWDZBQOSA-N 0 0 317.454 4.101 50 0 DIAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCOC12CCCCC2 ZINC000035671075 563874014 /nfs/dbraw/zinc/87/40/14/563874014.db2.gz QJIBVMCDRYIYGB-UHFFFAOYSA-N 0 0 317.360 4.013 50 0 DIAARN Fc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c(F)c1 ZINC000075467538 563874212 /nfs/dbraw/zinc/87/42/12/563874212.db2.gz LPTZSZNLDCKMCX-UHFFFAOYSA-N 0 0 324.290 4.072 50 0 DIAARN O=C(c1cccs1)N(Cc1ccoc1)Cc1cccs1 ZINC000090747517 563875053 /nfs/dbraw/zinc/87/50/53/563875053.db2.gz KEJRXFBPOCDKJR-UHFFFAOYSA-N 0 0 303.408 4.245 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(C)cc(C)c2)cc1 ZINC000013000380 563875060 /nfs/dbraw/zinc/87/50/60/563875060.db2.gz WUEWYMVLEWNNOW-LJQANCHMSA-N 0 0 309.409 4.289 50 0 DIAARN Cc1oc(C)c(C(=O)Nc2cccc(Br)c2)c1C ZINC000013006777 563875670 /nfs/dbraw/zinc/87/56/70/563875670.db2.gz JAGHXHOOGLOZSF-UHFFFAOYSA-N 0 0 308.175 4.220 50 0 DIAARN Cc1ccc(NC(=O)CCc2ccc3[nH]cnc3c2)cc1Cl ZINC000075478827 563876132 /nfs/dbraw/zinc/87/61/32/563876132.db2.gz CMHUYZMOCROUMD-UHFFFAOYSA-N 0 0 313.788 4.096 50 0 DIAARN Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000013019956 563876680 /nfs/dbraw/zinc/87/66/80/563876680.db2.gz PWOWGTSCRKXXHD-SNVBAGLBSA-N 0 0 309.196 4.188 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000013019957 563876796 /nfs/dbraw/zinc/87/67/96/563876796.db2.gz PWOWGTSCRKXXHD-JTQLQIEISA-N 0 0 309.196 4.188 50 0 DIAARN O=C(NCc1nc2ccccc2s1)[C@H]1CCCc2ccccc21 ZINC000013019184 563876802 /nfs/dbraw/zinc/87/68/02/563876802.db2.gz UXPRVQHSCOVOBU-HNNXBMFYSA-N 0 0 322.433 4.033 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1cc(-c2ccsc2)no1 ZINC000075488135 563877299 /nfs/dbraw/zinc/87/72/99/563877299.db2.gz LMBCECGGNIMPPM-UHFFFAOYSA-N 0 0 323.377 4.066 50 0 DIAARN Cc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1 ZINC000001772495 563878078 /nfs/dbraw/zinc/87/80/78/563878078.db2.gz DMUGRRGRSAKUTF-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN COc1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1 ZINC000001779303 563878383 /nfs/dbraw/zinc/87/83/83/563878383.db2.gz WRPNJFUWGAHNFQ-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN Cc1cc(C)c2oc(-c3ccc(Br)o3)cc(=O)c2c1 ZINC000001788342 563878643 /nfs/dbraw/zinc/87/86/43/563878643.db2.gz MXHFQDUAOZHARI-UHFFFAOYSA-N 0 0 319.154 4.432 50 0 DIAARN CCOc1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1OC ZINC000001788340 563878686 /nfs/dbraw/zinc/87/86/86/563878686.db2.gz VZHYCZQYZCBGSS-UHFFFAOYSA-N 0 0 324.376 4.484 50 0 biogenic,in-vitro DIAARN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1nc(-c2ccccc2)cs1 ZINC000241634646 563880837 /nfs/dbraw/zinc/88/08/37/563880837.db2.gz PNZSPJCUAAIPNT-YYWXWVFPSA-N 0 0 312.438 4.033 50 0 DIAARN C[C@@H]1CCN(C(=O)Nc2cccnc2Cl)[C@H](c2ccco2)C1 ZINC000075546535 563881588 /nfs/dbraw/zinc/88/15/88/563881588.db2.gz XPFJCFNCRZMIPY-YPMHNXCESA-N 0 0 319.792 4.333 50 0 DIAARN CCc1c(NC(=O)[C@H](C)c2ccc(C)s2)cnn1CC(C)C ZINC000089280414 563882138 /nfs/dbraw/zinc/88/21/38/563882138.db2.gz JZKHEBLKFFPIFY-CYBMUJFWSA-N 0 0 319.474 4.214 50 0 DIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@]2(C)O ZINC000253500263 563884326 /nfs/dbraw/zinc/88/43/26/563884326.db2.gz QGKQXZFZOIQFBI-CDWCOHKOSA-N 0 0 306.490 4.141 50 0 biogenic DIAARN N=C1N=C(c2ccccc2)C(=NNc2ccc(Cl)cc2)S1 ZINC000252429274 563885332 /nfs/dbraw/zinc/88/53/32/563885332.db2.gz LENLOGAOAAEZRQ-UHFFFAOYSA-N 0 0 314.801 4.236 50 0 DIAARN Cc1ccc2oc(-c3ccc(Br)o3)cc(=O)c2c1 ZINC000001933203 563886070 /nfs/dbraw/zinc/88/60/70/563886070.db2.gz XPIZWFASNJALET-UHFFFAOYSA-N 0 0 305.127 4.124 50 0 DIAARN C[C@@H]1CCc2sc(C(=O)N3CCCc4ccccc43)cc2C1 ZINC000006510677 563889660 /nfs/dbraw/zinc/88/96/60/563889660.db2.gz DRTVQGWWIXLFMT-CYBMUJFWSA-N 0 0 311.450 4.466 50 0 DIAARN CCCCCCOC(=S)SCC(=O)Nc1ccccc1 ZINC000002029784 563890336 /nfs/dbraw/zinc/89/03/36/563890336.db2.gz HDSMPTPWDXIICC-UHFFFAOYSA-N 0 0 311.472 4.240 50 0 DIAARN C/C=C/C=C/C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000024505420 563890539 /nfs/dbraw/zinc/89/05/39/563890539.db2.gz GPFLYRGYUZSYHM-COBAKMAKSA-N 0 0 301.386 4.087 50 0 DIAARN CCCOC(=O)c1ccc(Cl)c(NC(=O)C(CC)CC)c1 ZINC000002069715 563891548 /nfs/dbraw/zinc/89/15/48/563891548.db2.gz OIPRSTIWXTUJIH-UHFFFAOYSA-N 0 0 311.809 4.282 50 0 DIAARN CCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)C(C)C ZINC000036005636 563891677 /nfs/dbraw/zinc/89/16/77/563891677.db2.gz OZAMSXOPEQFARL-UHFFFAOYSA-N 0 0 314.429 4.353 50 0 DIAARN O=C(c1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000207960390 563895370 /nfs/dbraw/zinc/89/53/70/563895370.db2.gz QCLHUQQXVJVFIX-AWEZNQCLSA-N 0 0 303.402 4.297 50 0 DIAARN CCc1ccc(-c2cncc(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000036349180 563895861 /nfs/dbraw/zinc/89/58/61/563895861.db2.gz YKZRLYVHMFFIQM-UHFFFAOYSA-N 0 0 308.425 4.183 50 0 DIAARN O=C1C[C@H](c2ccsc2)c2sc(N3CCCCC3)nc2N1 ZINC000036356976 563896309 /nfs/dbraw/zinc/89/63/09/563896309.db2.gz KXZXLSRPBOOWES-LLVKDONJSA-N 0 0 319.455 4.319 50 0 DIAARN CCc1ccc(NC(=O)N2C[C@H](CC)Oc3ccccc32)cc1 ZINC000006843814 563896651 /nfs/dbraw/zinc/89/66/51/563896651.db2.gz NBSABZBJUGXEPS-INIZCTEOSA-N 0 0 310.397 4.459 50 0 DIAARN C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)c2ccccc2O1 ZINC000006842626 563896701 /nfs/dbraw/zinc/89/67/01/563896701.db2.gz XCWBAEUGAXAUPH-LLVKDONJSA-N 0 0 302.761 4.159 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1C)CCO2 ZINC000006842598 563896747 /nfs/dbraw/zinc/89/67/47/563896747.db2.gz ARFPOWUMWBYKBJ-UHFFFAOYSA-N 0 0 316.788 4.388 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1)C[C@@H](C)O2 ZINC000006842687 563896754 /nfs/dbraw/zinc/89/67/54/563896754.db2.gz MUSJINZRNHOONL-GFCCVEGCSA-N 0 0 316.788 4.468 50 0 DIAARN Cc1cc(OC(=O)c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000006850871 563897022 /nfs/dbraw/zinc/89/70/22/563897022.db2.gz ULAOZYMNCSZILM-UHFFFAOYSA-N 0 0 312.756 4.053 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(Cl)c1 ZINC000006852819 563897217 /nfs/dbraw/zinc/89/72/17/563897217.db2.gz SAZGHHPRVRKUMM-CYBMUJFWSA-N 0 0 302.805 4.483 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000036387475 563897532 /nfs/dbraw/zinc/89/75/32/563897532.db2.gz KCZCIYZKSLLNNH-KRYVOJAFSA-N 0 0 322.876 4.446 50 0 biogenic DIAARN CCc1ccccc1NC(=O)NCc1noc2ccc(C)cc12 ZINC000006866161 563897570 /nfs/dbraw/zinc/89/75/70/563897570.db2.gz JHKLPRYYDJKNKJ-UHFFFAOYSA-N 0 0 309.369 4.020 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036387086 563897611 /nfs/dbraw/zinc/89/76/11/563897611.db2.gz GDCGIJPZHXBFGC-HEHGZKQESA-N 0 0 312.413 4.205 50 0 DIAARN Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000036397026 563898763 /nfs/dbraw/zinc/89/87/63/563898763.db2.gz JXKJTLPBHKVRTM-STQMWFEESA-N 0 0 318.367 4.395 50 0 DIAARN Fc1ccccc1CSc1nncn2c3ccsc3cc12 ZINC000006893748 563898862 /nfs/dbraw/zinc/89/88/62/563898862.db2.gz ZWINJXFUKQJEDX-UHFFFAOYSA-N 0 0 315.398 4.375 50 0 DIAARN Oc1ccc(COc2cccc3cccnc32)c2cccnc12 ZINC000006934438 563899595 /nfs/dbraw/zinc/89/95/95/563899595.db2.gz LKNNKCREXKLVDD-UHFFFAOYSA-N 0 0 302.333 4.068 50 0 DIAARN Cc1nc2cc(-c3noc(/C=C/c4cccs4)n3)ccc2o1 ZINC000065149681 563899772 /nfs/dbraw/zinc/89/97/72/563899772.db2.gz HNAQHTKHMUEDAC-FNORWQNLSA-N 0 0 309.350 4.418 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000006930337 563899778 /nfs/dbraw/zinc/89/97/78/563899778.db2.gz FVRMEHSSXGOAGY-YGRLFVJLSA-N 0 0 300.229 4.231 50 0 DIAARN CC(C)CC(=O)N1CCC(CCOCc2ccccc2F)CC1 ZINC000065180482 563900581 /nfs/dbraw/zinc/90/05/81/563900581.db2.gz SEVWQGFTQJAOTD-UHFFFAOYSA-N 0 0 321.436 4.017 50 0 DIAARN O=C(Nc1ccccc1)N1CCC(CCOc2ccccc2)CC1 ZINC000065181363 563900611 /nfs/dbraw/zinc/90/06/11/563900611.db2.gz INCSNPMETYIVRU-UHFFFAOYSA-N 0 0 324.424 4.400 50 0 DIAARN O=C(Cc1cccc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000007000322 563900914 /nfs/dbraw/zinc/90/09/14/563900914.db2.gz JEJVHZXHHZVSRM-UHFFFAOYSA-N 0 0 319.448 4.467 50 0 DIAARN CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c2cccnc21 ZINC000065216644 563900927 /nfs/dbraw/zinc/90/09/27/563900927.db2.gz PKMNNNIYHCWASF-UHFFFAOYSA-N 0 0 313.788 4.270 50 0 DIAARN CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c2cccnc21 ZINC000065216673 563900947 /nfs/dbraw/zinc/90/09/47/563900947.db2.gz LCAYSLHGAXMODU-UHFFFAOYSA-N 0 0 307.397 4.432 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)CSC(C)(C)C)n2)o1 ZINC000007007546 563901129 /nfs/dbraw/zinc/90/11/29/563901129.db2.gz ZOBRUWWYCBMSCC-UHFFFAOYSA-N 0 0 310.444 4.182 50 0 DIAARN Cc1nc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 ZINC000007030585 563901142 /nfs/dbraw/zinc/90/11/42/563901142.db2.gz BFLXWLJYWOFOHO-GOSISDBHSA-N 0 0 318.405 4.441 50 0 DIAARN Cc1nc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 ZINC000007030587 563901179 /nfs/dbraw/zinc/90/11/79/563901179.db2.gz BFLXWLJYWOFOHO-SFHVURJKSA-N 0 0 318.405 4.441 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)Oc1c(C)cccc1C ZINC000007007775 563901211 /nfs/dbraw/zinc/90/12/11/563901211.db2.gz QJSWOVYFGVXLFP-UHFFFAOYSA-N 0 0 307.349 4.486 50 0 DIAARN Cc1ccc(C)c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 ZINC000007068807 563902122 /nfs/dbraw/zinc/90/21/22/563902122.db2.gz UKQGFDZDLIURDK-CQSZACIVSA-N 0 0 315.800 4.147 50 0 DIAARN Cc1nn(C)c(Cl)c1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000036649048 563902224 /nfs/dbraw/zinc/90/22/24/563902224.db2.gz ILHUFTRZIYQAAB-UHFFFAOYSA-N 0 0 320.820 4.036 50 0 DIAARN O=C(NCC1CCCCC1)c1cc2cn(C3CC3)cc2s1 ZINC000065285635 563902335 /nfs/dbraw/zinc/90/23/35/563902335.db2.gz NWRHXDFGBNZTRK-UHFFFAOYSA-N 0 0 302.443 4.348 50 0 DIAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)s1 ZINC000007112682 563902853 /nfs/dbraw/zinc/90/28/53/563902853.db2.gz MVJQQPPESQDFLD-KRWDZBQOSA-N 0 0 324.405 4.416 50 0 DIAARN O=C1CCc2ccc(OCc3cccc(C(F)(F)F)c3)cc21 ZINC000036708212 563902998 /nfs/dbraw/zinc/90/29/98/563902998.db2.gz VOJARBUENDIRHX-UHFFFAOYSA-N 0 0 306.283 4.413 50 0 DIAARN CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036752664 563903842 /nfs/dbraw/zinc/90/38/42/563903842.db2.gz NLGGYOWEYQKNGW-MVJVIOSPSA-N 0 0 301.474 4.454 50 0 DIAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000036783892 563904277 /nfs/dbraw/zinc/90/42/77/563904277.db2.gz PWAJMJYYYNTFJN-UHFFFAOYSA-N 0 0 321.424 4.361 50 0 DIAARN Cn1c(SCc2cccc3ccccc32)nnc1C(F)(F)F ZINC000007197915 563904331 /nfs/dbraw/zinc/90/43/31/563904331.db2.gz DNBGJZHDHJFTBD-UHFFFAOYSA-N 0 0 323.343 4.279 50 0 DIAARN CC[C@H](C)c1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1 ZINC000007238897 563904906 /nfs/dbraw/zinc/90/49/06/563904906.db2.gz SGKHUWGMLMINCE-LBPRGKRZSA-N 0 0 314.458 4.273 50 0 DIAARN Cc1noc(C)c1CSCc1cn2cc(Cl)ccc2n1 ZINC000036874590 563904930 /nfs/dbraw/zinc/90/49/30/563904930.db2.gz ONRXKACQIUPVND-UHFFFAOYSA-N 0 0 307.806 4.026 50 0 DIAARN COc1ccccc1OCCn1c(C)c(C(C)=O)c2ccccc21 ZINC000007277527 563904954 /nfs/dbraw/zinc/90/49/54/563904954.db2.gz HJQADDFTIVWDEY-UHFFFAOYSA-N 0 0 323.392 4.240 50 0 DIAARN Cc1ccc(CNc2ccc(OCC(F)(F)F)nc2)s1 ZINC000036935233 563905043 /nfs/dbraw/zinc/90/50/43/563905043.db2.gz VYWCQJFTJULZSZ-UHFFFAOYSA-N 0 0 302.321 4.005 50 0 DIAARN Fc1cccc(Cl)c1CNc1ccccc1-n1cccn1 ZINC000037024769 563905321 /nfs/dbraw/zinc/90/53/21/563905321.db2.gz XFTOCQSOBQYVJM-UHFFFAOYSA-N 0 0 301.752 4.277 50 0 DIAARN C[C@@H](NC(=O)CCc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000007397908 563905677 /nfs/dbraw/zinc/90/56/77/563905677.db2.gz LKJQFLVOBJBICI-PGBRGIIUSA-N 0 0 317.498 4.402 50 0 DIAARN O=S(=O)(c1ccccc1)c1ccccc1Nc1ccccc1 ZINC000003065547 563905838 /nfs/dbraw/zinc/90/58/38/563905838.db2.gz ZSVKFQDYFLOTJD-UHFFFAOYSA-N 0 0 309.390 4.263 50 0 DIAARN Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000007420725 563905992 /nfs/dbraw/zinc/90/59/92/563905992.db2.gz IAANOABPNAFBPR-CQSZACIVSA-N 0 0 316.832 4.107 50 0 DIAARN CCCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000007402036 563906107 /nfs/dbraw/zinc/90/61/07/563906107.db2.gz OJCXLBAEHPBWNZ-UHFFFAOYSA-N 0 0 309.818 4.093 50 0 DIAARN C[C@@H](Nc1cccc(C[S@@](C)=O)c1)c1ccc(F)c(F)c1 ZINC000170592762 563906669 /nfs/dbraw/zinc/90/66/69/563906669.db2.gz BJBGLRNQBFQGKR-WSVYEEACSA-N 0 0 309.381 4.016 50 0 DIAARN COc1cccc2c1N(C(=O)Cc1ccc(C)s1)CC[C@H]2C ZINC000170596890 563906944 /nfs/dbraw/zinc/90/69/44/563906944.db2.gz VGGMQWQJIDOVAQ-GFCCVEGCSA-N 0 0 315.438 4.148 50 0 DIAARN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1cccnc1 ZINC000170596157 563907030 /nfs/dbraw/zinc/90/70/30/563907030.db2.gz ZCVQVUYLEJFLPJ-WIYYLYMNSA-N 0 0 322.452 4.090 50 0 DIAARN CCc1noc(C)c1[C@@H](C)N(C)Cc1cc(Cl)ccc1OC ZINC000170601002 563907335 /nfs/dbraw/zinc/90/73/35/563907335.db2.gz LQAAFJPNVGVMAC-LLVKDONJSA-N 0 0 322.836 4.400 50 0 DIAARN O[C@@H](CC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000170600504 563907497 /nfs/dbraw/zinc/90/74/97/563907497.db2.gz BJUQZWSBPZOEGF-SOZFHFLDSA-N 0 0 314.425 4.098 50 0 DIAARN O=C(CC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000170600501 563907521 /nfs/dbraw/zinc/90/75/21/563907521.db2.gz DVRDCLXZEPBTSM-UHFFFAOYSA-N 0 0 312.409 4.247 50 0 DIAARN Oc1cccc2c(NC(=S)NCCc3ccccc3)cccc12 ZINC000007519878 563907638 /nfs/dbraw/zinc/90/76/38/563907638.db2.gz QTUZYCHLMTYDSM-UHFFFAOYSA-N 0 0 322.433 4.075 50 0 DIAARN Cc1cccc2ncnc(N3CC[C@@H](C(F)(F)F)C3(C)C)c12 ZINC000170610796 563907680 /nfs/dbraw/zinc/90/76/80/563907680.db2.gz XVOMXBHHAXKTTI-GFCCVEGCSA-N 0 0 309.335 4.105 50 0 DIAARN CCC(=O)c1ccc(O[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000170616298 563908304 /nfs/dbraw/zinc/90/83/04/563908304.db2.gz YAZSOHXVWHPKIZ-CYBMUJFWSA-N 0 0 322.364 4.469 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1 ZINC000170615191 563908399 /nfs/dbraw/zinc/90/83/99/563908399.db2.gz LHPUOGRAJNHWPQ-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN C[C@H](SC1=N[C@@H](C)CS1)c1noc(-c2ccccc2)n1 ZINC000170615498 563908482 /nfs/dbraw/zinc/90/84/82/563908482.db2.gz PWZSZEQQVAXZIW-UWVGGRQHSA-N 0 0 305.428 4.022 50 0 DIAARN CC[C@@H](c1ccccc1)[S@@](=O)Cc1ncc(C)c(OC)c1C ZINC000170615916 563908488 /nfs/dbraw/zinc/90/84/88/563908488.db2.gz JTOBSJIPDDZKNT-JTSKRJEESA-N 0 0 317.454 4.107 50 0 DIAARN O=c1c2ccoc2ccn1CCCOc1cccc2ccccc21 ZINC000170621000 563908589 /nfs/dbraw/zinc/90/85/89/563908589.db2.gz ASNUYRVFBQSSRI-UHFFFAOYSA-N 0 0 319.360 4.217 50 0 DIAARN CC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000007547771 563908644 /nfs/dbraw/zinc/90/86/44/563908644.db2.gz PBOFOVSXMOCXMD-LJQANCHMSA-N 0 0 324.424 4.176 50 0 DIAARN CC[C@H](OC1CCCC1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626800 563908792 /nfs/dbraw/zinc/90/87/92/563908792.db2.gz XXZDGZIGFCUFPB-PKOBYXMFSA-N 0 0 305.462 4.073 50 0 DIAARN CS[C@@H]1CCC[C@@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000170629978 563908928 /nfs/dbraw/zinc/90/89/28/563908928.db2.gz HQRRGFAGDGQMGZ-ZIAGYGMSSA-N 0 0 316.470 4.189 50 0 DIAARN Cc1nc2ccccc2nc1NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000170631088 563908934 /nfs/dbraw/zinc/90/89/34/563908934.db2.gz SBMSLOVVLUKWBL-RHSMWYFYSA-N 0 0 313.445 4.191 50 0 DIAARN CS[C@@H]1CCC[C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000170629980 563908941 /nfs/dbraw/zinc/90/89/41/563908941.db2.gz HQRRGFAGDGQMGZ-UONOGXRCSA-N 0 0 316.470 4.189 50 0 DIAARN CC(C)C[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000071283529 563909052 /nfs/dbraw/zinc/90/90/52/563909052.db2.gz JMAWOAJSYFEYEU-LBPRGKRZSA-N 0 0 305.422 4.193 50 0 DIAARN COc1ccc(NC(=O)CCCSc2ccc(F)cc2)cc1 ZINC000010218128 563909245 /nfs/dbraw/zinc/90/92/45/563909245.db2.gz DGMKGVKCLFUPTP-UHFFFAOYSA-N 0 0 319.401 4.345 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)nc1 ZINC000010056583 563909266 /nfs/dbraw/zinc/90/92/66/563909266.db2.gz OQTFGRPGDJCYHM-UHFFFAOYSA-N 0 0 318.376 4.221 50 0 DIAARN Cc1nc2ccc(NC(=O)Nc3ccccc3F)cc2s1 ZINC000010220056 563909276 /nfs/dbraw/zinc/90/92/76/563909276.db2.gz QOTPCSDVSDMDPW-UHFFFAOYSA-N 0 0 301.346 4.388 50 0 DIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCC1 ZINC000013320404 563909550 /nfs/dbraw/zinc/90/95/50/563909550.db2.gz XPJFTYJLEJAIIW-UHFFFAOYSA-N 0 0 306.715 4.423 50 0 DIAARN CCCC[C@@H](CC)c1nnc(NC(=O)c2c(C)noc2C)s1 ZINC000013330734 563909651 /nfs/dbraw/zinc/90/96/51/563909651.db2.gz VLXDYOJQAVEHKZ-LLVKDONJSA-N 0 0 322.434 4.079 50 0 DIAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccccn1 ZINC000013331893 563909722 /nfs/dbraw/zinc/90/97/22/563909722.db2.gz CZWFSJQVJBQZNA-SECBINFHSA-N 0 0 310.184 4.271 50 0 DIAARN C[C@@H](NC(=S)NC1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000013774869 563910099 /nfs/dbraw/zinc/91/00/99/563910099.db2.gz SZYIYIDATVLBRR-CYBMUJFWSA-N 0 0 304.503 4.452 50 0 DIAARN CC(=O)Nc1ccc(Nc2ncnc3ccsc32)cc1Cl ZINC000014328005 563910570 /nfs/dbraw/zinc/91/05/70/563910570.db2.gz LEEAADVKAJNXGB-UHFFFAOYSA-N 0 0 318.789 4.047 50 0 DIAARN COc1ccccc1OC(=O)Cc1c(C)nc2ccccc2c1C ZINC000014471867 563910623 /nfs/dbraw/zinc/91/06/23/563910623.db2.gz VVBZGCJPTDDVHO-UHFFFAOYSA-N 0 0 321.376 4.008 50 0 DIAARN CSc1nc2ccc(NC(=O)c3cc(C)oc3C)cc2s1 ZINC000014501208 563910665 /nfs/dbraw/zinc/91/06/65/563910665.db2.gz LPTMTLFUMWLSCU-UHFFFAOYSA-N 0 0 318.423 4.480 50 0 DIAARN Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCCc2ccccn2)c1 ZINC000089616425 563910763 /nfs/dbraw/zinc/91/07/63/563910763.db2.gz QOXPIPVCBYPERF-FQEVSTJZSA-N 0 0 322.452 4.385 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000089774656 563911229 /nfs/dbraw/zinc/91/12/29/563911229.db2.gz LLDPMJZKMYPPMK-RISCZKNCSA-N 0 0 322.742 4.296 50 0 DIAARN O=C(CCC1CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000089799985 563911253 /nfs/dbraw/zinc/91/12/53/563911253.db2.gz SYBJPIPILVMGNH-QGZVFWFLSA-N 0 0 317.479 4.474 50 0 DIAARN c1nc(CNc2cccc(CSC3CCOCC3)c2)cs1 ZINC000089780601 563911314 /nfs/dbraw/zinc/91/13/14/563911314.db2.gz BXDLUTGSVKCTGK-UHFFFAOYSA-N 0 0 320.483 4.167 50 0 DIAARN O=C(CCC(F)(F)F)Nc1ccccc1CCC(F)(F)F ZINC000089813887 563911418 /nfs/dbraw/zinc/91/14/18/563911418.db2.gz LCUVIHDYJYOFHD-UHFFFAOYSA-N 0 0 313.241 4.463 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)Nc2cc(C(C)C)on2)cc1 ZINC000076066837 563912061 /nfs/dbraw/zinc/91/20/61/563912061.db2.gz BLMYCULEZVTHIV-GFCCVEGCSA-N 0 0 304.415 4.226 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(C)C)on2)cc1 ZINC000076066834 563912133 /nfs/dbraw/zinc/91/21/33/563912133.db2.gz BLMYCULEZVTHIV-LBPRGKRZSA-N 0 0 304.415 4.226 50 0 DIAARN C[C@@H](N[C@H](C)c1cnccn1)c1cc2cc(Cl)ccc2o1 ZINC000090034789 563912534 /nfs/dbraw/zinc/91/25/34/563912534.db2.gz ICAQPQIFCILBNM-GHMZBOCLSA-N 0 0 301.777 4.288 50 0 DIAARN O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccccc1 ZINC000002873637 563913057 /nfs/dbraw/zinc/91/30/57/563913057.db2.gz GRMBFGWDZAFNNO-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)c(Cl)c1 ZINC000007587653 563914152 /nfs/dbraw/zinc/91/41/52/563914152.db2.gz YEOKKLRVJWUMMZ-CYBMUJFWSA-N 0 0 314.816 4.038 50 0 DIAARN Cc1ccccc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 ZINC000002122824 563914954 /nfs/dbraw/zinc/91/49/54/563914954.db2.gz WMUGYYWUQJPSID-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN Cc1ccc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1C ZINC000007596002 563915503 /nfs/dbraw/zinc/91/55/03/563915503.db2.gz ZHVQFGZYIBVTEJ-UHFFFAOYSA-N 0 0 324.811 4.229 50 0 DIAARN COc1ccc(C(=O)CCNc2cc(Cl)ccc2OC)cc1 ZINC000002521080 563915771 /nfs/dbraw/zinc/91/57/71/563915771.db2.gz FTRGLRFWRQYUBT-UHFFFAOYSA-N 0 0 319.788 4.042 50 0 DIAARN CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000013616510 563916537 /nfs/dbraw/zinc/91/65/37/563916537.db2.gz XBCWJYKTCSNDMA-UYAOXDASSA-N 0 0 322.408 4.365 50 0 DIAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034791939 563916814 /nfs/dbraw/zinc/91/68/14/563916814.db2.gz ROHFBWZIPBGCAU-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN CCOc1ccccc1Nc1ncnc2sc3c(c21)CCC3 ZINC000012650987 563916844 /nfs/dbraw/zinc/91/68/44/563916844.db2.gz SICZDEONOCBOSH-UHFFFAOYSA-N 0 0 311.410 4.322 50 0 DIAARN Cc1cc(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)nn1C(C)(C)C ZINC000252527829 563916845 /nfs/dbraw/zinc/91/68/45/563916845.db2.gz DLQXCLMNAXKFAH-DOTOQJQBSA-N 0 0 317.477 4.131 50 0 DIAARN CCN(CC)C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000002209690 563917539 /nfs/dbraw/zinc/91/75/39/563917539.db2.gz WAROTAWKSWTWMZ-GOSISDBHSA-N 0 0 305.462 4.472 50 0 DIAARN O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000007636262 563917553 /nfs/dbraw/zinc/91/75/53/563917553.db2.gz CVFGSGLQJLQTLM-OAHLLOKOSA-N 0 0 321.159 4.478 50 0 DIAARN O=C(C1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007645042 563917787 /nfs/dbraw/zinc/91/77/87/563917787.db2.gz DJDNDUVNKYTULO-UHFFFAOYSA-N 0 0 314.454 4.193 50 0 DIAARN Cc1noc(C)c1COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000007718622 563918109 /nfs/dbraw/zinc/91/81/09/563918109.db2.gz MCHUUFUFIYDVHE-UHFFFAOYSA-N 0 0 324.167 4.120 50 0 DIAARN Cc1cc2c(cc(C(=O)NCC3CC3)n2Cc2ccccc2)s1 ZINC000037526075 563918321 /nfs/dbraw/zinc/91/83/21/563918321.db2.gz CMOKQOXTZSABSS-UHFFFAOYSA-N 0 0 324.449 4.199 50 0 DIAARN Cc1nn2c(nc(NC3CCCC3)c3ccccc32)c1Cl ZINC000007736627 563918585 /nfs/dbraw/zinc/91/85/85/563918585.db2.gz DVAKOQUHAVJKCI-UHFFFAOYSA-N 0 0 300.793 4.199 50 0 DIAARN CSCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000007767803 563918971 /nfs/dbraw/zinc/91/89/71/563918971.db2.gz NRTPWEKBFNFXQI-UHFFFAOYSA-N 0 0 314.435 4.412 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N[C@H](C)c1cccs1 ZINC000007779578 563919058 /nfs/dbraw/zinc/91/90/58/563919058.db2.gz IXEVVTFAQWFURB-SNVBAGLBSA-N 0 0 303.358 4.433 50 0 DIAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000252694636 563920505 /nfs/dbraw/zinc/92/05/05/563920505.db2.gz NQUQIAYCNLKMTR-SPBSJPQISA-N 0 0 316.441 4.265 50 0 biogenic DIAARN CCc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000000425626 563920672 /nfs/dbraw/zinc/92/06/72/563920672.db2.gz SYAYUGFONRNUJS-UHFFFAOYSA-N 0 0 315.380 4.122 50 0 DIAARN COc1ccc(CC(=O)Oc2ccc3ccccc3c2)cc1F ZINC000007919678 563920724 /nfs/dbraw/zinc/92/07/24/563920724.db2.gz ROLBLLSOKMTQLU-UHFFFAOYSA-N 0 0 310.324 4.136 50 0 DIAARN CC(=O)C(N=Nc1ccccc1)=C(C)N[C@@H](C)c1ccccc1 ZINC000012383820 563920832 /nfs/dbraw/zinc/92/08/32/563920832.db2.gz HGYQILNPJXHBSR-ONRYGUQCSA-N 0 0 307.397 4.266 50 0 DIAARN COc1ccc(C)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007919768 563920842 /nfs/dbraw/zinc/92/08/42/563920842.db2.gz JVISFTCIOMGQTG-UHFFFAOYSA-N 0 0 309.287 4.275 50 0 DIAARN COc1ccc(C)cc1NC(=O)CSc1ccc(F)c(F)c1 ZINC000007927483 563921101 /nfs/dbraw/zinc/92/11/01/563921101.db2.gz UJDCVLDAVXHOAZ-UHFFFAOYSA-N 0 0 323.364 4.013 50 0 DIAARN CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000007925029 563921105 /nfs/dbraw/zinc/92/11/05/563921105.db2.gz DNDFGAXDHSDWFM-MRXNPFEDSA-N 0 0 307.846 4.458 50 0 DIAARN CC(C)(c1cc(NC(=O)Oc2ccccc2)no1)C(F)(F)F ZINC000115037304 563923535 /nfs/dbraw/zinc/92/35/35/563923535.db2.gz KDJWLVDAZBRXOD-UHFFFAOYSA-N 0 0 314.263 4.125 50 0 DIAARN C[C@@H](Sc1nncs1)c1cccc(Br)c1 ZINC000154110358 563924834 /nfs/dbraw/zinc/92/48/34/563924834.db2.gz KFOAJBDWGKHCHY-SSDOTTSWSA-N 0 0 301.234 4.154 50 0 DIAARN CSc1cccc(F)c1C(=O)Nc1cc(C)c(O)c(C)c1 ZINC000253429777 563925387 /nfs/dbraw/zinc/92/53/87/563925387.db2.gz GFZSRUCLGCDSON-UHFFFAOYSA-N 0 0 305.374 4.122 50 0 DIAARN CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000002320532 563925962 /nfs/dbraw/zinc/92/59/62/563925962.db2.gz FXOXYWZJQXUYJY-UHFFFAOYSA-N 0 0 322.408 4.127 50 0 DIAARN CCOc1ccccc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000253473071 563926479 /nfs/dbraw/zinc/92/64/79/563926479.db2.gz RFHODCBTTYAIES-CQSZACIVSA-N 0 0 323.392 4.193 50 0 DIAARN FC(F)(F)COc1cc(Br)cc(C(F)(F)F)c1 ZINC000230542281 563927145 /nfs/dbraw/zinc/92/71/45/563927145.db2.gz WWSWLMIKRAWSRK-UHFFFAOYSA-N 0 0 323.030 4.409 50 0 DIAARN O=C(/C=C/c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000002383579 563927738 /nfs/dbraw/zinc/92/77/38/563927738.db2.gz FFZHSVFKAWZFSF-JXMROGBWSA-N 0 0 324.811 4.193 50 0 DIAARN CCCCn1nc(NC(=O)C(C)C)c2cc3cccc(C)c3nc21 ZINC000002409734 563927833 /nfs/dbraw/zinc/92/78/33/563927833.db2.gz UIHAIMZNZAQKMA-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@@H]1CCc2ccccc21 ZINC000027818215 563928056 /nfs/dbraw/zinc/92/80/56/563928056.db2.gz JLNROCBHQQRRAW-INMULRNOSA-N 0 0 311.812 4.499 50 0 DIAARN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(C)c1 ZINC000012994719 563929126 /nfs/dbraw/zinc/92/91/26/563929126.db2.gz BKZHXAOGJKTOOA-UHFFFAOYSA-N 0 0 319.404 4.265 50 0 DIAARN O=C(/C=C\c1cccc2ccccc12)NCc1ccc(F)cc1 ZINC000012961358 563929137 /nfs/dbraw/zinc/92/91/37/563929137.db2.gz ZMAYDKVLSYWYEM-RAXLEYEMSA-N 0 0 305.352 4.309 50 0 DIAARN CC(C)(C)c1ccccc1NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000123344084 563929157 /nfs/dbraw/zinc/92/91/57/563929157.db2.gz ROVSSKVPPFMJJB-AWEZNQCLSA-N 0 0 316.445 4.017 50 0 DIAARN COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000013126250 563929315 /nfs/dbraw/zinc/92/93/15/563929315.db2.gz GOFMZYXSJNCELR-UHFFFAOYSA-N 0 0 314.772 4.420 50 0 DIAARN COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000013057379 563929399 /nfs/dbraw/zinc/92/93/99/563929399.db2.gz RBNAOZYPNBEVOX-LBPRGKRZSA-N 0 0 318.804 4.096 50 0 DIAARN CC[C@H](C)NC(=O)[C@H](C)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369654 563929564 /nfs/dbraw/zinc/92/95/64/563929564.db2.gz ZKTFSEXFCKXXQS-GJZGRUSLSA-N 0 0 321.424 4.179 50 0 DIAARN Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)c1nccs1 ZINC000078602695 563929626 /nfs/dbraw/zinc/92/96/26/563929626.db2.gz QXXLXGNVEDOFPH-GFCCVEGCSA-N 0 0 319.430 4.121 50 0 DIAARN CC(C)[C@H](C)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000078909047 563930061 /nfs/dbraw/zinc/93/00/61/563930061.db2.gz GHHCFQOMVAIPOD-WDEREUQCSA-N 0 0 308.365 4.226 50 0 DIAARN Cc1nc(CNc2cccc(OCC(F)(F)F)c2)cs1 ZINC000079065900 563930274 /nfs/dbraw/zinc/93/02/74/563930274.db2.gz ALSYIQLPSWLUCY-UHFFFAOYSA-N 0 0 302.321 4.005 50 0 DIAARN Fc1ccccc1-c1ccc(CNc2ccn(CC(F)F)n2)o1 ZINC000079108780 563930323 /nfs/dbraw/zinc/93/03/23/563930323.db2.gz PMSJEOGDGBHRRJ-UHFFFAOYSA-N 0 0 321.302 4.159 50 0 DIAARN CC(C)[C@@H]1SCC(=O)Nc2c1cnn2-c1ccc(F)cc1 ZINC000079494032 563930433 /nfs/dbraw/zinc/93/04/33/563930433.db2.gz IUFFEIMDMZMMFZ-AWEZNQCLSA-N 0 0 305.378 4.043 50 0 DIAARN O=C(NCCc1ccc(-c2ccoc2)s1)[C@H]1CC=CCC1 ZINC000390831462 563930698 /nfs/dbraw/zinc/93/06/98/563930698.db2.gz SAUCLOASZKJZMV-ZDUSSCGKSA-N 0 0 301.411 4.023 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390828251 563930702 /nfs/dbraw/zinc/93/07/02/563930702.db2.gz AOQOGFJBJFBIGM-OAHLLOKOSA-N 0 0 321.376 4.030 50 0 DIAARN O=C(NCCCc1cc2ccccc2o1)c1ccccc1Cl ZINC000390830167 563930709 /nfs/dbraw/zinc/93/07/09/563930709.db2.gz JEYOVNMDTSJKMG-UHFFFAOYSA-N 0 0 313.784 4.449 50 0 DIAARN 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ZINC000003233106 563942960 /nfs/dbraw/zinc/94/29/60/563942960.db2.gz ICJCTZDYASVIBX-UHFFFAOYSA-N 0 0 310.802 4.327 50 0 DIAARN CCC[C@H](C)C(=O)OCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000003240401 563943071 /nfs/dbraw/zinc/94/30/71/563943071.db2.gz TWJXDJXZZOLMHV-ZDUSSCGKSA-N 0 0 314.381 4.011 50 0 DIAARN C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(Cl)cc1 ZINC000003237477 563943133 /nfs/dbraw/zinc/94/31/33/563943133.db2.gz CWUJOEULFWYDMK-STQMWFEESA-N 0 0 311.878 4.363 50 0 DIAARN COc1ccccc1C(=O)CSCc1ccc(Cl)cc1 ZINC000003265004 563943272 /nfs/dbraw/zinc/94/32/72/563943272.db2.gz UBBZDKHLDRBZJM-UHFFFAOYSA-N 0 0 306.814 4.465 50 0 DIAARN C[C@@H](NC(=S)Nc1cccc(OC(F)F)c1)C(C)(C)C ZINC000003260287 563943295 /nfs/dbraw/zinc/94/32/95/563943295.db2.gz JXDBQZDCMZRUKY-SECBINFHSA-N 0 0 302.390 4.009 50 0 DIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1CCCC1 ZINC000003258491 563943366 /nfs/dbraw/zinc/94/33/66/563943366.db2.gz INWLXCUYRDHKJU-UHFFFAOYSA-N 0 0 309.431 4.060 50 0 DIAARN Cc1noc(C)c1COC(=O)C(c1ccccc1)c1ccccc1 ZINC000003320782 563943573 /nfs/dbraw/zinc/94/35/73/563943573.db2.gz JLJNDDLQIIFHSQ-UHFFFAOYSA-N 0 0 321.376 4.167 50 0 DIAARN Cc1ccc2c(CC(=O)Nc3ccc(F)cc3F)coc2c1 ZINC000003524959 563944122 /nfs/dbraw/zinc/94/41/22/563944122.db2.gz JOLVUPFWKLRVJO-UHFFFAOYSA-N 0 0 301.292 4.201 50 0 DIAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC000031334053 563944438 /nfs/dbraw/zinc/94/44/38/563944438.db2.gz SPAXBUNUBLBVPB-LLVKDONJSA-N 0 0 313.788 4.050 50 0 DIAARN CSc1ccc([C@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000031693506 563944835 /nfs/dbraw/zinc/94/48/35/563944835.db2.gz PQJMMSMHDJIGSC-ZANVPECISA-N 0 0 318.269 4.170 50 0 DIAARN CCCCc1nc(CN(C)Cc2cc3cc(F)ccc3[nH]2)c[nH]1 ZINC000670456261 563944930 /nfs/dbraw/zinc/94/49/30/563944930.db2.gz DVATXIIDUDYFER-UHFFFAOYSA-N 0 0 314.408 4.005 50 0 DIAARN CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004081895 563945160 /nfs/dbraw/zinc/94/51/60/563945160.db2.gz YLFRRPUBVUAHSR-UYPUKZBLSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN CC(C)c1nnc2sc(-c3cccc(Cl)c3Cl)nn21 ZINC000032070728 563945208 /nfs/dbraw/zinc/94/52/08/563945208.db2.gz SQBFKCBDQBPERG-UHFFFAOYSA-N 0 0 313.213 4.283 50 0 DIAARN O=C(c1cccc(F)c1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032073531 563945217 /nfs/dbraw/zinc/94/52/17/563945217.db2.gz YPPYSVCQCMGOPQ-UHFFFAOYSA-N 0 0 308.356 4.112 50 0 DIAARN O=C(CCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032089994 563945289 /nfs/dbraw/zinc/94/52/89/563945289.db2.gz JVAMWSMCACKNAU-UHFFFAOYSA-N 0 0 318.420 4.292 50 0 DIAARN Cc1nc(-c2cccs2)ccc1C(=O)N1CCCCCC1 ZINC000032193276 563945613 /nfs/dbraw/zinc/94/56/13/563945613.db2.gz TXXTXMHMWVYUFF-UHFFFAOYSA-N 0 0 300.427 4.135 50 0 DIAARN Cc1occc1C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000032362301 563945758 /nfs/dbraw/zinc/94/57/58/563945758.db2.gz QJMWHIOGQYCRSU-UHFFFAOYSA-N 0 0 307.349 4.310 50 0 DIAARN CN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000007995851 563946125 /nfs/dbraw/zinc/94/61/25/563946125.db2.gz XFHXJMZLQABSAB-UHFFFAOYSA-N 0 0 308.406 4.016 50 0 DIAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc2ccccc2s1 ZINC000263476321 563946329 /nfs/dbraw/zinc/94/63/29/563946329.db2.gz FKTRJDTYJFZTLX-MAZHCROVSA-N 0 0 315.438 4.119 50 0 DIAARN CCc1ccc([C@H](NC(=O)COc2ccccc2)C(C)C)cc1 ZINC000008062711 563946461 /nfs/dbraw/zinc/94/64/61/563946461.db2.gz LAHVCJQWKWYNPJ-HXUWFJFHSA-N 0 0 311.425 4.141 50 0 DIAARN CC(=O)N[C@H](CC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 ZINC000008157798 563946922 /nfs/dbraw/zinc/94/69/22/563946922.db2.gz OULOGDOLTQXBOL-LJQANCHMSA-N 0 0 324.424 4.016 50 0 DIAARN Cc1cc(C(=O)NC[C@H](C)c2ccccc2)c2ccccc2n1 ZINC000008168118 563946949 /nfs/dbraw/zinc/94/69/49/563946949.db2.gz JPWRWZAMPHPPIF-AWEZNQCLSA-N 0 0 304.393 4.077 50 0 DIAARN CC(=O)Nc1ccc(-c2nc(-c3ccccn3)sc2C)cc1 ZINC000008225543 563947174 /nfs/dbraw/zinc/94/71/74/563947174.db2.gz SKULRRCJUKJSJP-UHFFFAOYSA-N 0 0 309.394 4.139 50 0 DIAARN O=C1CCc2cc(-c3csc(-c4cccs4)n3)ccc2N1 ZINC000008209675 563947199 /nfs/dbraw/zinc/94/71/99/563947199.db2.gz AQGPTYHXRJVMHQ-UHFFFAOYSA-N 0 0 312.419 4.423 50 0 DIAARN Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CC=CCC1 ZINC000066554097 563947202 /nfs/dbraw/zinc/94/72/02/563947202.db2.gz UDFPQKRBGLXRPH-CQSZACIVSA-N 0 0 312.438 4.091 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000008278159 563947599 /nfs/dbraw/zinc/94/75/99/563947599.db2.gz LNRFVUBRRDDSQJ-UHFFFAOYSA-N 0 0 322.147 4.492 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000008304393 563947670 /nfs/dbraw/zinc/94/76/70/563947670.db2.gz NPOPVVCXPGWDCR-WFASDCNBSA-N 0 0 301.361 4.394 50 0 DIAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(O)cc3)sc2C)cc1 ZINC000008297658 563947697 /nfs/dbraw/zinc/94/76/97/563947697.db2.gz OVNXIPZABKGFRI-UHFFFAOYSA-N 0 0 324.405 4.450 50 0 DIAARN CCC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000008341300 563948118 /nfs/dbraw/zinc/94/81/18/563948118.db2.gz AKMIWRLKOIJDHI-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 ZINC000008343990 563947994 /nfs/dbraw/zinc/94/79/94/563947994.db2.gz JWLSQDYGIBJUDI-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000008394658 563948377 /nfs/dbraw/zinc/94/83/77/563948377.db2.gz XKFXDOJDOFIJEP-SFHVURJKSA-N 0 0 317.454 4.061 50 0 DIAARN Clc1cccc([C@@H]2CCN(Cc3cc(C4CC4)on3)C2)c1 ZINC000670470913 563948438 /nfs/dbraw/zinc/94/84/38/563948438.db2.gz YPAHMZNNQDXFGH-CQSZACIVSA-N 0 0 302.805 4.195 50 0 DIAARN CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000008415064 563948553 /nfs/dbraw/zinc/94/85/53/563948553.db2.gz XZZABQYNKISPBA-UHFFFAOYSA-N 0 0 314.392 4.438 50 0 DIAARN CCn1c2ccccc2c2cc(NC(=O)c3ccccn3)ccc21 ZINC000008406627 563948560 /nfs/dbraw/zinc/94/85/60/563948560.db2.gz JNNQYWXJAOXNMN-UHFFFAOYSA-N 0 0 315.376 4.462 50 0 DIAARN COC(C)(C)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000171602195 563948645 /nfs/dbraw/zinc/94/86/45/563948645.db2.gz PMQUMRQIBXVCCI-AWEZNQCLSA-N 0 0 312.413 4.223 50 0 DIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(SC)c1 ZINC000008499874 563948748 /nfs/dbraw/zinc/94/87/48/563948748.db2.gz WVRLFGVIDNKLGM-MRXNPFEDSA-N 0 0 301.411 4.205 50 0 DIAARN c1cnn(-c2ccc(CSc3nc4ccccc4o3)cc2)c1 ZINC000008526527 563948758 /nfs/dbraw/zinc/94/87/58/563948758.db2.gz RAZAOWWTZGDOMF-UHFFFAOYSA-N 0 0 307.378 4.306 50 0 DIAARN O=C(OCc1nc2ccccc2o1)C1(c2ccccc2)CCCC1 ZINC000008574047 563949273 /nfs/dbraw/zinc/94/92/73/563949273.db2.gz NPVJMDWQCUOLNA-UHFFFAOYSA-N 0 0 321.376 4.383 50 0 DIAARN Cc1ccc(NC(=O)c2ncoc2-c2ccco2)cc1Cl ZINC000008608907 563949410 /nfs/dbraw/zinc/94/94/10/563949410.db2.gz CAUDTAUQONRQOQ-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN Cc1ccccc1C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000008673647 563949492 /nfs/dbraw/zinc/94/94/92/563949492.db2.gz GTOYBSRTUCMVKV-CQSZACIVSA-N 0 0 316.198 4.036 50 0 DIAARN COc1cc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1C ZINC000008705107 563949701 /nfs/dbraw/zinc/94/97/01/563949701.db2.gz MXEOOJDYTMFZBY-AWEZNQCLSA-N 0 0 323.392 4.170 50 0 DIAARN Cc1ccc2c(c1)[nH]c1c2ncn(CCC2=CCCCC2)c1=O ZINC000008686307 563949815 /nfs/dbraw/zinc/94/98/15/563949815.db2.gz CQLDPOVFRXRESJ-UHFFFAOYSA-N 0 0 307.397 4.077 50 0 DIAARN Cc1cc(NC(=O)[C@@H](Nc2ccc(C)cc2)c2ccccc2)no1 ZINC000008708450 563949986 /nfs/dbraw/zinc/94/99/86/563949986.db2.gz QQBQPEJSQFCEPI-SFHVURJKSA-N 0 0 321.380 4.083 50 0 DIAARN C[C@H](NC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000008726743 563950251 /nfs/dbraw/zinc/95/02/51/563950251.db2.gz QCRYDOVYNQDIMR-JTQLQIEISA-N 0 0 324.758 4.179 50 0 DIAARN CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC000008735218 563950390 /nfs/dbraw/zinc/95/03/90/563950390.db2.gz MNGADCQMSHGLCY-UHFFFAOYSA-N 0 0 319.408 4.022 50 0 DIAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)cc1 ZINC000008768017 563950738 /nfs/dbraw/zinc/95/07/38/563950738.db2.gz GWMRFADMGAPGSH-UHFFFAOYSA-N 0 0 306.365 4.221 50 0 DIAARN C[C@@H](c1nnc(NC(=O)C2CCCCC2)s1)c1ccccc1 ZINC000008771072 563950839 /nfs/dbraw/zinc/95/08/39/563950839.db2.gz MKJVJNGOIUTWPR-GFCCVEGCSA-N 0 0 315.442 4.209 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 ZINC000008868605 563950959 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563951932 /nfs/dbraw/zinc/95/19/32/563951932.db2.gz DASSOEQXPAZYPW-LBPRGKRZSA-N 0 0 313.426 4.191 50 0 DIAARN O=C(NCCc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000008986779 563951937 /nfs/dbraw/zinc/95/19/37/563951937.db2.gz QWCZFHUJYNWWAF-UHFFFAOYSA-N 0 0 312.171 4.105 50 0 DIAARN CCCNc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn21 ZINC000040217037 563951939 /nfs/dbraw/zinc/95/19/39/563951939.db2.gz WTMPYTZVUNHEBT-UHFFFAOYSA-N 0 0 314.820 4.488 50 0 DIAARN Cc1ccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc1 ZINC000009002117 563951979 /nfs/dbraw/zinc/95/19/79/563951979.db2.gz QRZZAWUREPMEMR-UHFFFAOYSA-N 0 0 308.366 4.164 50 0 DIAARN O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000009059752 563952094 /nfs/dbraw/zinc/95/20/94/563952094.db2.gz GTISJLVEZAMXEE-KRWDZBQOSA-N 0 0 311.429 4.197 50 0 DIAARN CC(=O)c1ccccc1NCc1cc(Cl)cc2c1OCOC2 ZINC000069349542 563952334 /nfs/dbraw/zinc/95/23/34/563952334.db2.gz HODKHYYPXKVTKT-UHFFFAOYSA-N 0 0 317.772 4.021 50 0 DIAARN Cc1ccc2c(c1)CCCN2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009112551 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/nfs/dbraw/zinc/04/89/87/1053048987.db2.gz FJAFNKAGXWEKTI-UHFFFAOYSA-N 0 0 305.475 4.209 50 0 DIAARN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)c1 ZINC000007885306 1053136710 /nfs/dbraw/zinc/13/67/10/1053136710.db2.gz CZXDAACOKUYXOP-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC)cc1 ZINC000007886668 1053138524 /nfs/dbraw/zinc/13/85/24/1053138524.db2.gz ZJNBEUJLSYKMGC-LJQANCHMSA-N 0 0 324.424 4.452 50 0 DIAARN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886335 1053138804 /nfs/dbraw/zinc/13/88/04/1053138804.db2.gz JTJAYVQZHCTXOF-IBGZPJMESA-N 0 0 322.408 4.204 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(SC)cc1 ZINC000007886496 1053138959 /nfs/dbraw/zinc/13/89/59/1053138959.db2.gz SYPICQCVJPBGDY-QGZVFWFLSA-N 0 0 312.438 4.385 50 0 DIAARN CSc1ccc(CCC(=O)N2CCC(=C3CC3)CC2)cc1 ZINC000238856959 1053146807 /nfs/dbraw/zinc/14/68/07/1053146807.db2.gz KAWCLKTWNBYDNI-UHFFFAOYSA-N 0 0 301.455 4.054 50 0 DIAARN O=C(/C=C\c1ccsc1)n1ccccc1=NC1CCCCC1 ZINC000263630545 1053256334 /nfs/dbraw/zinc/25/63/34/1053256334.db2.gz HVFKBVMTHADRAZ-WZZGAEDSSA-N 0 0 312.438 4.137 50 0 DIAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](CC)O1 ZINC000252675876 1054454301 /nfs/dbraw/zinc/45/43/01/1054454301.db2.gz VIHFLBGQHIWGED-NCXUSEDFSA-N 0 0 315.457 4.129 50 0 DIAARN CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000003875356 1055686481 /nfs/dbraw/zinc/68/64/81/1055686481.db2.gz ZDHCJEIGTNNEMY-XGXHKTLJSA-N 0 0 302.458 4.269 50 0 investigational DIAARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000002117660 1055922203 /nfs/dbraw/zinc/92/22/03/1055922203.db2.gz GCKMFJBGXUYNAG-SFUSBHMVSA-N 0 0 302.458 4.269 50 0 biogenic DIAARN C[C@H](O)c1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000035632034 1055992945 /nfs/dbraw/zinc/99/29/45/1055992945.db2.gz MEPQPORBVBFQAO-VIFPVBQESA-N 0 0 311.150 4.434 50 0 DIAARN C=C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003881943 1056010482 /nfs/dbraw/zinc/01/04/82/1056010482.db2.gz ILGPJZIKYMIGMU-XUDSTZEESA-N 0 0 314.469 4.435 50 0 biogenic DIAARN COc1ccccc1/C=C\C(=O)OCc1ccc(Cl)cc1 ZINC000033854630 1056085234 /nfs/dbraw/zinc/08/52/34/1056085234.db2.gz ZWMSJYPSZKWZAM-FLIBITNWSA-N 0 0 302.757 4.105 50 0 DIAARN Cc1cc(C)nc(NCc2cccnc2Oc2ccccc2F)n1 ZINC000012315043 1057021407 /nfs/dbraw/zinc/02/14/07/1057021407.db2.gz KGNOVIHKXZEVCN-UHFFFAOYSA-N 0 0 324.359 4.032 50 0 DIAARN CCN(C(=O)/C=C\c1cc2ccccc2o1)c1ncccc1C ZINC000606444473 1057614160 /nfs/dbraw/zinc/61/41/60/1057614160.db2.gz FIOUPMXQEZPDSD-KHPPLWFESA-N 0 0 306.365 4.203 50 0 DIAARN Cc1ccccc1C(=O)NC[C@H](c1ccsc1)c1ccco1 ZINC000618255904 1057638664 /nfs/dbraw/zinc/63/86/64/1057638664.db2.gz BROBRRXXHPBTRQ-MRXNPFEDSA-N 0 0 311.406 4.211 50 0 DIAARN Cc1nc2nccc(-c3cc4c(cc3C)NC(C)(C)C[C@H]4C)n2n1 ZINC000618257124 1057639669 /nfs/dbraw/zinc/63/96/69/1057639669.db2.gz RSXKRUIXYZZIFF-GFCCVEGCSA-N 0 0 321.428 4.106 50 0 DIAARN Cc1ccc2[nH]c([C@@H](Nc3nc(C)cnc3C)C(C)C)nc2c1 ZINC001529092522 1058605527 /nfs/dbraw/zinc/60/55/27/1058605527.db2.gz UPXMDQSKVFGQHH-INIZCTEOSA-N 0 0 309.417 4.087 50 0 DIAARN CC(C)n1cc(NC(=O)C[C@@H](c2ccco2)c2ccccc2)cn1 ZINC001529125084 1058617362 /nfs/dbraw/zinc/61/73/62/1058617362.db2.gz IIWYVVVUWFZIEC-QGZVFWFLSA-N 0 0 323.396 4.218 50 0 DIAARN Cc1ccc(-c2cccc(C(=O)Nc3cnn(C(C)C)c3)c2)o1 ZINC001529167293 1058628348 /nfs/dbraw/zinc/62/83/48/1058628348.db2.gz ILGQHTCJUPMREI-UHFFFAOYSA-N 0 0 309.369 4.285 50 0 DIAARN Cc1ccc2sc(NC(=O)Cc3ccc(Cl)cc3)nc2c1 ZINC001505840544 1063507449 /nfs/dbraw/zinc/50/74/49/1063507449.db2.gz PTGOPQNBBLPYEZ-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 DIAARN CN(CC[C@H]1CCCCO1)c1nc2ccc(Cl)cc2s1 ZINC001506415089 1063507747 /nfs/dbraw/zinc/50/77/47/1063507747.db2.gz VCNQAAKVPXKAHZ-GFCCVEGCSA-N 0 0 310.850 4.345 50 0 DIAARN CC(C)CNC(=O)c1ccc(-c2cc(F)cc3cccnc32)o1 ZINC001506399096 1063507770 /nfs/dbraw/zinc/50/77/70/1063507770.db2.gz AMJJLGXDVFIKJQ-UHFFFAOYSA-N 0 0 312.344 4.020 50 0 DIAARN Cc1[nH]c2c(cccc2C(=O)N(C)[C@@H](C)c2ccncc2)c1C ZINC001506402524 1063508197 /nfs/dbraw/zinc/50/81/97/1063508197.db2.gz PQLZJVLHUDQGKS-AWEZNQCLSA-N 0 0 307.397 4.013 50 0 DIAARN CCO[C@H](C)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1 ZINC001506419196 1063510113 /nfs/dbraw/zinc/51/01/13/1063510113.db2.gz WOJMTTOGHBVIHC-MRXNPFEDSA-N 0 0 311.425 4.288 50 0 DIAARN COc1ccc(CC(=O)Nc2cccc3c2ccn3C(C)C)cc1 ZINC000095472915 185372958 /nfs/dbraw/zinc/37/29/58/185372958.db2.gz VVAHCWHMDLFCJY-UHFFFAOYSA-N 0 0 322.408 4.412 50 0 DIAARN Cc1cccc2c1ccn2CCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000095480078 185373582 /nfs/dbraw/zinc/37/35/82/185373582.db2.gz NELLRSXSTITLTI-UHFFFAOYSA-N 0 0 317.392 4.460 50 0 DIAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3C3CCC3)s2)s1 ZINC000095479105 185373711 /nfs/dbraw/zinc/37/37/11/185373711.db2.gz SGDZRNVPEPLPOR-UHFFFAOYSA-N 0 0 319.459 4.009 50 0 DIAARN FC(F)(F)/C(Br)=C(/Br)C(F)(F)F ZINC000076941501 185058832 /nfs/dbraw/zinc/05/88/32/185058832.db2.gz AXAMFVOTWJBOCA-UPHRSURJSA-N 0 0 321.840 4.112 50 0 DIAARN Cc1cccc(CN2CCc3nc(-c4ccccc4)[nH]c3C2)c1F ZINC000095524360 185377741 /nfs/dbraw/zinc/37/77/41/185377741.db2.gz HRCGPRVXFAIYGB-UHFFFAOYSA-N 0 0 321.399 4.083 50 0 DIAARN CCOC[C@@H]1CCCN1C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000095529520 185378726 /nfs/dbraw/zinc/37/87/26/185378726.db2.gz LAORTXHWEWNHFZ-IBGZPJMESA-N 0 0 324.424 4.386 50 0 DIAARN CCOC[C@H]1CCCN1C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000095529521 185378848 /nfs/dbraw/zinc/37/88/48/185378848.db2.gz LAORTXHWEWNHFZ-LJQANCHMSA-N 0 0 324.424 4.386 50 0 DIAARN O=C(/C=C\c1cccc(C(F)(F)F)c1)NCc1ccccc1F ZINC000096601749 185384254 /nfs/dbraw/zinc/38/42/54/185384254.db2.gz MVVPEQAVROLEBX-HJWRWDBZSA-N 0 0 323.289 4.174 50 0 DIAARN CCc1ccccc1NC(=O)/C=C\c1ccc2ccccc2n1 ZINC000096600616 185384394 /nfs/dbraw/zinc/38/43/94/185384394.db2.gz QTDJFZAPZLSHCR-YPKPFQOOSA-N 0 0 302.377 4.449 50 0 DIAARN COc1ccc(C)cc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000096623751 185384510 /nfs/dbraw/zinc/38/45/10/185384510.db2.gz UXOXERAZWPRPJT-KTKRTIGZSA-N 0 0 324.405 4.265 50 0 DIAARN CN(Cc1cccs1)C(=O)/C=C\c1nc2ccccc2s1 ZINC000096620017 185384646 /nfs/dbraw/zinc/38/46/46/185384646.db2.gz AVIKETNLYKIDBG-HJWRWDBZSA-N 0 0 314.435 4.030 50 0 DIAARN Cc1ccc(NS(=O)(=O)/C=C\c2ccccc2)c(Cl)c1 ZINC000096747780 185386213 /nfs/dbraw/zinc/38/62/13/185386213.db2.gz LIDVZKIZLQWEOE-KTKRTIGZSA-N 0 0 307.802 4.061 50 0 DIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccs1 ZINC000096759067 185386547 /nfs/dbraw/zinc/38/65/47/185386547.db2.gz YISMYYJXOBLQMS-NTMALXAHSA-N 0 0 314.797 4.056 50 0 DIAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(C)c1 ZINC000096759117 185386621 /nfs/dbraw/zinc/38/66/21/185386621.db2.gz YTJFULXLTDNLSA-XNTDXEJSSA-N 0 0 322.433 4.328 50 0 DIAARN COc1cc(/C=C\c2nc3ccccc3s2)cc2c1OCO2 ZINC000096767205 185386856 /nfs/dbraw/zinc/38/68/56/185386856.db2.gz LMNCPSXGFWEUSO-SREVYHEPSA-N 0 0 311.362 4.204 50 0 DIAARN Cc1ccc(NCC(=O)N2CCC[C@H]2c2cccs2)c(C)c1 ZINC000078953957 185134883 /nfs/dbraw/zinc/13/48/83/185134883.db2.gz JROPWORCVLNMSJ-INIZCTEOSA-N 0 0 314.454 4.141 50 0 DIAARN CN(Cc1csc(N(C)C2CC2)n1)Cc1cccc(Cl)c1 ZINC000079105523 185158918 /nfs/dbraw/zinc/15/89/18/185158918.db2.gz NDONWXKRLXURHE-UHFFFAOYSA-N 0 0 321.877 4.027 50 0 DIAARN CC(C)CC[C@H](C)NC(=O)/C=C\c1cc2c(c(Cl)c1)OCO2 ZINC000096859820 185389604 /nfs/dbraw/zinc/38/96/04/185389604.db2.gz CKHXHZKBHYVVKB-DGMVEKRQSA-N 0 0 323.820 4.023 50 0 DIAARN Cc1occc1C(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096875816 185390018 /nfs/dbraw/zinc/39/00/18/185390018.db2.gz PATAQSQTQRKSRH-HJWRWDBZSA-N 0 0 304.349 4.406 50 0 DIAARN O=C(c1ccc(Br)cc1)c1ccnc2ccccc21 ZINC000083252467 185221467 /nfs/dbraw/zinc/22/14/67/185221467.db2.gz KRCKYQUPDTVBQE-UHFFFAOYSA-N 0 0 312.166 4.228 50 0 DIAARN C[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000096920632 185391506 /nfs/dbraw/zinc/39/15/06/185391506.db2.gz DBDRXMOWPKMTHM-KMSCOEIWSA-N 0 0 301.386 4.046 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccccc2)cc1 ZINC000096925003 185391630 /nfs/dbraw/zinc/39/16/30/185391630.db2.gz WRBMYFRBGGAKOQ-BZPDREMPSA-N 0 0 307.393 4.072 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccccc2C)cc1 ZINC000096925071 185391836 /nfs/dbraw/zinc/39/18/36/185391836.db2.gz NRRKDIIZUSLLEX-ACQXMXPUSA-N 0 0 321.420 4.381 50 0 DIAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccccc1F ZINC000096920649 185391867 /nfs/dbraw/zinc/39/18/67/185391867.db2.gz HSWSBRZTUAUGAB-XITLMJRVSA-N 0 0 315.413 4.436 50 0 DIAARN COc1cccc(CN(C)C(=O)/C=C\c2cc3ccccc3o2)c1 ZINC000096935557 185392635 /nfs/dbraw/zinc/39/26/35/185392635.db2.gz IUMJXPMWXSUESU-KHPPLWFESA-N 0 0 321.376 4.113 50 0 DIAARN COc1cccc2cc(/C=C\C(=O)Nc3ccccc3F)oc21 ZINC000096936469 185392958 /nfs/dbraw/zinc/39/29/58/185392958.db2.gz VEVSXQHUDJHHBK-KTKRTIGZSA-N 0 0 311.312 4.232 50 0 DIAARN COc1cc(Cl)c(NC(=O)/C=C\c2ccccc2)cc1OC ZINC000096936989 185393033 /nfs/dbraw/zinc/39/30/33/185393033.db2.gz FGQPLOWZWHKQAU-HJWRWDBZSA-N 0 0 317.772 4.009 50 0 DIAARN O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCc2sccc2C1 ZINC000096940817 185393257 /nfs/dbraw/zinc/39/32/57/185393257.db2.gz WVNDWOLWFXQGAU-RQOWECAXSA-N 0 0 321.804 4.139 50 0 DIAARN Fc1ccccc1CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000096939975 185393308 /nfs/dbraw/zinc/39/33/08/185393308.db2.gz LEKJUWIDOCIYEA-FPLPWBNLSA-N 0 0 317.414 4.468 50 0 DIAARN COCc1cccc(CNc2ccc(Br)c(F)c2)c1 ZINC000088553795 185257979 /nfs/dbraw/zinc/25/79/79/185257979.db2.gz KQRWHJJHGOZMEM-UHFFFAOYSA-N 0 0 324.193 4.347 50 0 DIAARN O=C(NCCc1ccoc1)c1ccc(Oc2ccccc2)cc1 ZINC000090607405 185306375 /nfs/dbraw/zinc/30/63/75/185306375.db2.gz XKTSRVWYLQFLFT-UHFFFAOYSA-N 0 0 307.349 4.044 50 0 DIAARN Cc1cc(C(=O)N2Cc3ccccc3C2)c2cccc(C)c2n1 ZINC000082097311 192355563 /nfs/dbraw/zinc/35/55/63/192355563.db2.gz YPXAUUSUJGUPIM-UHFFFAOYSA-N 0 0 302.377 4.008 50 0 DIAARN COC(=O)c1c(C)oc2ccc(OCc3ccc(C)cc3)cc21 ZINC000000389367 190613853 /nfs/dbraw/zinc/61/38/53/190613853.db2.gz VBXSXPRAVYNZIK-UHFFFAOYSA-N 0 0 310.349 4.415 50 0 DIAARN CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000003473483 190618167 /nfs/dbraw/zinc/61/81/67/190618167.db2.gz JMCRQYVKOCWPTA-GFCCVEGCSA-N 0 0 303.789 4.308 50 0 DIAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)o2)cc1 ZINC000005013673 190620454 /nfs/dbraw/zinc/62/04/54/190620454.db2.gz LCUSWEAYDHWALJ-UHFFFAOYSA-N 0 0 307.349 4.419 50 0 DIAARN CCN(C(=O)NCc1noc2ccc(C)cc12)c1ccccc1C ZINC000006866063 190625295 /nfs/dbraw/zinc/62/52/95/190625295.db2.gz DTIZHYMRNQMRJZ-UHFFFAOYSA-N 0 0 323.396 4.181 50 0 DIAARN COc1ccc(CNc2c(C)cc(C)cc2C)c(OC)c1OC ZINC000096998696 185395907 /nfs/dbraw/zinc/39/59/07/185395907.db2.gz WXROIUKHVRHZGY-UHFFFAOYSA-N 0 0 315.413 4.250 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCCCC2)C2CC2)o1 ZINC000096998486 185396004 /nfs/dbraw/zinc/39/60/04/185396004.db2.gz YIDUCZCCTIZERM-DYVFJYSZSA-N 0 0 316.445 4.410 50 0 DIAARN CSc1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1 ZINC000012340883 190635347 /nfs/dbraw/zinc/63/53/47/190635347.db2.gz YHMSDTCVTKENRV-UHFFFAOYSA-N 0 0 316.411 4.057 50 0 DIAARN Cc1csc([C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000095403017 185354878 /nfs/dbraw/zinc/35/48/78/185354878.db2.gz GOOLHHPGPUFJHJ-JMPLFQLZSA-N 0 0 302.443 4.409 50 0 DIAARN CC[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1nccs1 ZINC000095409953 185356942 /nfs/dbraw/zinc/35/69/42/185356942.db2.gz FNYXSIMXHPBKSB-AAEUAGOBSA-N 0 0 319.430 4.122 50 0 DIAARN FC(F)(F)c1ccc(NCc2nnc(C3CC3)o2)c(Cl)c1 ZINC000095409860 185356994 /nfs/dbraw/zinc/35/69/94/185356994.db2.gz QKCOSMIZAGTMEZ-UHFFFAOYSA-N 0 0 317.698 4.231 50 0 DIAARN CCc1nnc([C@H](C)SCc2ccc(OC(C)C)cc2)o1 ZINC000095412909 185357922 /nfs/dbraw/zinc/35/79/22/185357922.db2.gz PGQPUZDLTAEHNB-LBPRGKRZSA-N 0 0 306.431 4.414 50 0 DIAARN CCc1nnc(CSCc2ccccc2SC(F)F)o1 ZINC000095412881 185357938 /nfs/dbraw/zinc/35/79/38/185357938.db2.gz JMEOEODSSSJEDU-UHFFFAOYSA-N 0 0 316.398 4.380 50 0 DIAARN Cc1nnc(CS[C@H](C)c2ccccc2Br)o1 ZINC000095412904 185358038 /nfs/dbraw/zinc/35/80/38/185358038.db2.gz JCMOKHYEVJKCKN-MRVPVSSYSA-N 0 0 313.220 4.135 50 0 DIAARN CCc1ccc(CN[C@@H](c2cccnc2)c2cccc(OC)c2)o1 ZINC000095415470 185358728 /nfs/dbraw/zinc/35/87/28/185358728.db2.gz YBXCISGOUCGDJD-HXUWFJFHSA-N 0 0 322.408 4.125 50 0 DIAARN 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/nfs/dbraw/zinc/67/40/63/180674063.db2.gz NWGXQMVEYOMULC-UHFFFAOYSA-N 0 0 312.376 4.304 50 0 DIAARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(F)cc2)c1 ZINC000000037942 180674482 /nfs/dbraw/zinc/67/44/82/180674482.db2.gz VGZNPLAOBBMMKV-UHFFFAOYSA-N 0 0 315.388 4.449 50 0 DIAARN CSc1nsc(SC)c1C(=O)Nc1ccc(C)cc1 ZINC000000051241 180678071 /nfs/dbraw/zinc/67/80/71/180678071.db2.gz PJQCRNVPULKJLV-UHFFFAOYSA-N 0 0 310.469 4.148 50 0 DIAARN Fc1ccc(CC[C@H]2CCCN(c3nccs3)C2)c(F)c1 ZINC000072418668 191157686 /nfs/dbraw/zinc/15/76/86/191157686.db2.gz GWORSFOAONSZNV-GFCCVEGCSA-N 0 0 308.397 4.271 50 0 DIAARN CC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000000091789 180689668 /nfs/dbraw/zinc/68/96/68/180689668.db2.gz FHGYGOURWHLFKB-UHFFFAOYSA-N 0 0 300.408 4.039 50 0 DIAARN COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000000088813 180688829 /nfs/dbraw/zinc/68/88/29/180688829.db2.gz DPYGHKPCIFPVEZ-MRXNPFEDSA-N 0 0 310.393 4.434 50 0 DIAARN Cc1cc2nc(C(C)C)cc(N[C@H](C)c3ccc(C)cn3)n2n1 ZINC000072424463 191160149 /nfs/dbraw/zinc/16/01/49/191160149.db2.gz YMOBYOIELJDTCB-CQSZACIVSA-N 0 0 309.417 4.038 50 0 DIAARN CC(C)Cc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000000103872 180694663 /nfs/dbraw/zinc/69/46/63/180694663.db2.gz UKEYLPPMLGZPLC-IBGZPJMESA-N 0 0 308.377 4.370 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1 ZINC000000112817 180697092 /nfs/dbraw/zinc/69/70/92/180697092.db2.gz QTZAERHXMOBSFL-UHFFFAOYSA-N 0 0 303.352 4.444 50 0 DIAARN Cc1cccc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)c1 ZINC000072442034 191167654 /nfs/dbraw/zinc/16/76/54/191167654.db2.gz ZOLSPODCAAIESR-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CCC2 ZINC000000127211 180701939 /nfs/dbraw/zinc/70/19/39/180701939.db2.gz QQELTQXFKWYHNV-UHFFFAOYSA-N 0 0 308.406 4.225 50 0 DIAARN CC(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000128618 180702236 /nfs/dbraw/zinc/70/22/36/180702236.db2.gz HWHFPZVSIQLGPL-UHFFFAOYSA-N 0 0 303.789 4.481 50 0 DIAARN CCc1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000000131315 180703305 /nfs/dbraw/zinc/70/33/05/180703305.db2.gz MLDZXCRTMAIPOQ-UHFFFAOYSA-N 0 0 323.314 4.285 50 0 DIAARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000000133655 180704295 /nfs/dbraw/zinc/70/42/95/180704295.db2.gz XRMZGKAEKBIJJY-UHFFFAOYSA-N 0 0 301.361 4.141 50 0 DIAARN Cc1cc(-c2nc3cc(N)ccc3o2)ccc1Br ZINC000000157141 180711174 /nfs/dbraw/zinc/71/11/74/180711174.db2.gz QDCMDSTYXXIQNH-UHFFFAOYSA-N 0 0 303.159 4.148 50 0 DIAARN Clc1ccc(Nc2cc(-c3ccccc3)nc3ncnn32)cc1 ZINC000000158924 180711502 /nfs/dbraw/zinc/71/15/02/180711502.db2.gz VVSODZPIACIUMO-UHFFFAOYSA-N 0 0 321.771 4.188 50 0 DIAARN Cn1nc(C(F)(F)F)c(C=O)c1Sc1ccc(Cl)cc1 ZINC000000168243 180713258 /nfs/dbraw/zinc/71/32/58/180713258.db2.gz AHCCPDLFTYDMKN-UHFFFAOYSA-N 0 0 320.723 4.056 50 0 DIAARN Nc1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000000208693 180726052 /nfs/dbraw/zinc/72/60/52/180726052.db2.gz HFAOLFLNWUFPRJ-UHFFFAOYSA-N 0 0 320.783 4.299 50 0 DIAARN CC(C)c1ccccc1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000000204667 180724579 /nfs/dbraw/zinc/72/45/79/180724579.db2.gz CFXJLGCJJDOXLK-UHFFFAOYSA-N 0 0 307.349 4.169 50 0 DIAARN CC(C)(C)c1cc(NC(=O)c2csc3ccccc23)no1 ZINC000000205265 180724617 /nfs/dbraw/zinc/72/46/17/180724617.db2.gz OFMGNMIHBOCNPW-UHFFFAOYSA-N 0 0 300.383 4.439 50 0 DIAARN O=C(Nc1ccccc1)N(CCc1ccncc1)C1CCCCC1 ZINC000000262052 180741449 /nfs/dbraw/zinc/74/14/49/180741449.db2.gz CTQLLKRHSIUDQV-UHFFFAOYSA-N 0 0 323.440 4.491 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000000263488 180741915 /nfs/dbraw/zinc/74/19/15/180741915.db2.gz NBBKDVBHIMTHOJ-AWEZNQCLSA-N 0 0 300.789 4.361 50 0 DIAARN CC(=O)n1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)c1C ZINC000000312325 180755965 /nfs/dbraw/zinc/75/59/65/180755965.db2.gz OAIQDNXXUSQCRQ-UHFFFAOYSA-N 0 0 316.364 4.062 50 0 DIAARN COc1ccccc1OCC(=O)Nc1ccccc1C(C)(C)C ZINC000000311606 180756273 /nfs/dbraw/zinc/75/62/73/180756273.db2.gz LMHJJEROBWHOAL-UHFFFAOYSA-N 0 0 313.397 4.010 50 0 DIAARN O=c1c2ccccc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000000314582 180756675 /nfs/dbraw/zinc/75/66/75/180756675.db2.gz YUXDGVQAVUZOSI-UHFFFAOYSA-N 0 0 322.311 4.067 50 0 DIAARN CC[C@@](C)(NCc1ncc(-c2cccs2)o1)c1nccs1 ZINC000072683017 191214636 /nfs/dbraw/zinc/21/46/36/191214636.db2.gz RRGBDTGBDRQXLB-OAHLLOKOSA-N 0 0 319.455 4.275 50 0 DIAARN CN(C)c1ccc(NC(=S)c2ccc3ccccc3n2)cc1 ZINC000000301928 180752403 /nfs/dbraw/zinc/75/24/03/180752403.db2.gz XJQQBZIYKWJZDB-UHFFFAOYSA-N 0 0 307.422 4.088 50 0 DIAARN Cc1cc(C)cc(NC(=S)NCc2ccccc2Cl)c1 ZINC000000306821 180754371 /nfs/dbraw/zinc/75/43/71/180754371.db2.gz PLJOMXAUKCGMPV-UHFFFAOYSA-N 0 0 304.846 4.443 50 0 DIAARN Cc1c(Cl)cccc1NC(=S)NCc1ccc(F)cc1 ZINC000000307277 180754406 /nfs/dbraw/zinc/75/44/06/180754406.db2.gz CEQFMOULOCVAHO-UHFFFAOYSA-N 0 0 308.809 4.274 50 0 DIAARN Cc1ccc(S(=O)(=O)N(c2ccccc2C)C(C)(C)C)cc1 ZINC000000345677 180762998 /nfs/dbraw/zinc/76/29/98/180762998.db2.gz RXRPXLCSHUWHJE-UHFFFAOYSA-N 0 0 317.454 4.297 50 0 DIAARN CC[C@H](C)c1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000000318518 180758634 /nfs/dbraw/zinc/75/86/34/180758634.db2.gz FEODNGJHFOPRNR-AWEZNQCLSA-N 0 0 303.427 4.142 50 0 DIAARN CC(C)(C)Oc1ncc(-c2cccc(N)c2)c(OC(C)(C)C)n1 ZINC000000332385 180760384 /nfs/dbraw/zinc/76/03/84/180760384.db2.gz AITAJTCIGFBEBY-UHFFFAOYSA-N 0 0 315.417 4.080 50 0 DIAARN Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C ZINC000000369797 180769235 /nfs/dbraw/zinc/76/92/35/180769235.db2.gz MJNGZYOQJXXJOF-UHFFFAOYSA-N 0 0 310.397 4.051 50 0 DIAARN CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000000384519 180773355 /nfs/dbraw/zinc/77/33/55/180773355.db2.gz JJBYELQFFNALRS-UHFFFAOYSA-N 0 0 316.813 4.151 50 0 DIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)cc1 ZINC000000354827 180765262 /nfs/dbraw/zinc/76/52/62/180765262.db2.gz FRQRWIKAQJQCAD-UHFFFAOYSA-N 0 0 317.410 4.102 50 0 DIAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000000443395 180792194 /nfs/dbraw/zinc/79/21/94/180792194.db2.gz UTZMZDANOHXJIL-RUDMXATFSA-N 0 0 309.262 4.496 50 0 DIAARN Cc1ccsc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000000430883 180789423 /nfs/dbraw/zinc/78/94/23/180789423.db2.gz SHXVEIQAMRARPR-WQLSENKSSA-N 0 0 303.770 4.054 50 0 DIAARN Cc1cc(NC(=O)c2ccc(F)cc2)ccc1Br ZINC000000438707 180791325 /nfs/dbraw/zinc/79/13/25/180791325.db2.gz ZSZHOZAXUQZCKO-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccccc2F)c1 ZINC000000423792 180785022 /nfs/dbraw/zinc/78/50/22/180785022.db2.gz CUQWIYWZHFQGHX-QGZVFWFLSA-N 0 0 301.386 4.221 50 0 DIAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000458626 180797201 /nfs/dbraw/zinc/79/72/01/180797201.db2.gz YMBRJSZMBFGKMQ-LFYBBSHMSA-N 0 0 301.773 4.391 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C ZINC000000469578 180800505 /nfs/dbraw/zinc/80/05/05/180800505.db2.gz RVGCQJJNRRNAHD-UHFFFAOYSA-N 0 0 310.397 4.150 50 0 DIAARN Cc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 ZINC000000446249 180793801 /nfs/dbraw/zinc/79/38/01/180793801.db2.gz XXUXHPXKERVBDA-UHFFFAOYSA-N 0 0 318.214 4.442 50 0 DIAARN CCCc1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000000454085 180795837 /nfs/dbraw/zinc/79/58/37/180795837.db2.gz PDOKDJBPGAYMBP-UHFFFAOYSA-N 0 0 314.388 4.491 50 0 DIAARN O=C(/C=C/c1cccc(Cl)c1)NCc1ccc(Cl)cc1 ZINC000000473346 180801880 /nfs/dbraw/zinc/80/18/80/180801880.db2.gz KRTCVBBXZWJXQT-RMKNXTFCSA-N 0 0 306.192 4.323 50 0 DIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1F ZINC000000473687 180801953 /nfs/dbraw/zinc/80/19/53/180801953.db2.gz MFMHALBMHOGJKW-SECBINFHSA-N 0 0 311.715 4.024 50 0 DIAARN O=C(CSc1ccccn1)Nc1c(Cl)cccc1Cl ZINC000000473102 180801991 /nfs/dbraw/zinc/80/19/91/180801991.db2.gz XFFTZHSIOYLNFU-UHFFFAOYSA-N 0 0 313.209 4.119 50 0 DIAARN Cc1cc(C)cc(OCC(=O)c2ccc(Br)cc2)c1 ZINC000000474535 180802688 /nfs/dbraw/zinc/80/26/88/180802688.db2.gz RCBMEFGQQSEDLX-UHFFFAOYSA-N 0 0 319.198 4.328 50 0 DIAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc2ccccc2c1 ZINC000000482635 180804718 /nfs/dbraw/zinc/80/47/18/180804718.db2.gz GPRNOFPJTDGIRS-WQRHYEAKSA-N 0 0 317.319 4.323 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1C[C@@H]1c1ccccc1 ZINC000000483594 180805165 /nfs/dbraw/zinc/80/51/65/180805165.db2.gz IDTBXZXFTOBRBL-OLZOCXBDSA-N 0 0 305.299 4.448 50 0 DIAARN CCOC(=O)c1c(C)n(-c2ccc(C)cc2C)c2ccc(O)cc21 ZINC000000502569 180808976 /nfs/dbraw/zinc/80/89/76/180808976.db2.gz LTBDWQKXOSUXJK-UHFFFAOYSA-N 0 0 323.392 4.438 50 0 biogenic DIAARN Clc1ccccc1-c1nnc2sc(-c3ccccc3)nn21 ZINC000000530777 180814725 /nfs/dbraw/zinc/81/47/25/180814725.db2.gz BJIJSJFEOIFLHS-UHFFFAOYSA-N 0 0 312.785 4.173 50 0 DIAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000000516079 180811171 /nfs/dbraw/zinc/81/11/71/180811171.db2.gz UAMTXZZYSOWOPB-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN O=C(C[C@H](c1ccco1)c1ccc(F)cc1)NCc1ccccc1 ZINC000000521111 180811521 /nfs/dbraw/zinc/81/15/21/180811521.db2.gz NEDXLYLHPZGKKX-SFHVURJKSA-N 0 0 323.367 4.257 50 0 DIAARN CC(=O)c1cccc(NC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000000609490 180827305 /nfs/dbraw/zinc/82/73/05/180827305.db2.gz XSXXCZCTEJRCLP-UHFFFAOYSA-N 0 0 322.792 4.491 50 0 DIAARN Cc1nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2s1 ZINC000000612891 180829042 /nfs/dbraw/zinc/82/90/42/180829042.db2.gz PADCPDACRWANAJ-LLVKDONJSA-N 0 0 308.406 4.196 50 0 DIAARN Cc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1c(C)cc(C)cc1-2 ZINC000000818069 180835080 /nfs/dbraw/zinc/83/50/80/180835080.db2.gz XCURTSUOOGDXPJ-IBGZPJMESA-N 0 0 305.381 4.153 50 0 DIAARN COc1cc(SC)ccc1C(=O)NCc1ccc(Cl)cc1 ZINC000000859777 180836558 /nfs/dbraw/zinc/83/65/58/180836558.db2.gz IXUPDXLUKAVTLE-UHFFFAOYSA-N 0 0 321.829 4.001 50 0 DIAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 ZINC000000784754 180832688 /nfs/dbraw/zinc/83/26/88/180832688.db2.gz LNVATLQYDZJBMZ-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN O=C(NCCc1ccccc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000001061508 180844598 /nfs/dbraw/zinc/84/45/98/180844598.db2.gz SSRAGOVWFBNZDO-UHFFFAOYSA-N 0 0 309.340 4.058 50 0 DIAARN Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)o1 ZINC000001130380 180847206 /nfs/dbraw/zinc/84/72/06/180847206.db2.gz HJVPRUPVMUHOIG-DHDCSXOGSA-N 0 0 313.378 4.133 50 0 DIAARN Cc1cccc(S[C@H]2CCS(=O)(=O)c3sccc32)c1 ZINC000001398510 180861434 /nfs/dbraw/zinc/86/14/34/180861434.db2.gz FRZYCRFWIPAMPC-ZDUSSCGKSA-N 0 0 310.465 4.067 50 0 DIAARN COc1ccc(NC(=S)Nc2cccc(C)c2C)c(OC)c1 ZINC000001410838 180863059 /nfs/dbraw/zinc/86/30/59/180863059.db2.gz LBEOLIRYMFLEHB-UHFFFAOYSA-N 0 0 316.426 4.130 50 0 DIAARN COc1cccc(-c2nn3cc(-c4ccccc4)nc3s2)c1 ZINC000001414397 180863744 /nfs/dbraw/zinc/86/37/44/180863744.db2.gz RYVRSEPRRFOWPQ-UHFFFAOYSA-N 0 0 307.378 4.133 50 0 DIAARN CC[C@@H](C(=O)NCCc1cccc(Cl)c1)c1ccccc1 ZINC000001466450 180868786 /nfs/dbraw/zinc/86/87/86/180868786.db2.gz YHSZXNUPSURHFP-QGZVFWFLSA-N 0 0 301.817 4.193 50 0 DIAARN Fc1cccc(Cn2c3ccccc3nc2-c2cncs2)c1 ZINC000001423860 180864545 /nfs/dbraw/zinc/86/45/45/180864545.db2.gz PNUQOUJSFUSHAH-UHFFFAOYSA-N 0 0 309.369 4.347 50 0 DIAARN Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000001621431 180880128 /nfs/dbraw/zinc/88/01/28/180880128.db2.gz CBYZELXTVBROSO-UHFFFAOYSA-N 0 0 324.401 4.430 50 0 DIAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)C2CCCCC2)S1 ZINC000001856210 180899083 /nfs/dbraw/zinc/89/90/83/180899083.db2.gz XOQYOZDMJTYGHL-ZDUSSCGKSA-N 0 0 317.458 4.345 50 0 DIAARN Cc1sc(NC(=O)C(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000001790992 180896480 /nfs/dbraw/zinc/89/64/80/180896480.db2.gz MOTDAXGQUPWHQL-UHFFFAOYSA-N 0 0 320.723 4.273 50 0 DIAARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccnc3)n2)c1 ZINC000001791402 180896758 /nfs/dbraw/zinc/89/67/58/180896758.db2.gz PBUJLKNDUIKLHA-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CCCCOC(=O)c1cccc(NC(=O)c2ccccc2C)c1 ZINC000001801411 180897433 /nfs/dbraw/zinc/89/74/33/180897433.db2.gz UUEGEGIYKNSAEJ-UHFFFAOYSA-N 0 0 311.381 4.204 50 0 DIAARN Cc1ccc(C)c(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000002069670 180908974 /nfs/dbraw/zinc/90/89/74/180908974.db2.gz OMEKAXKZXCAWJN-UHFFFAOYSA-N 0 0 318.438 4.369 50 0 DIAARN CCC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccco1 ZINC000002096445 180910034 /nfs/dbraw/zinc/91/00/34/180910034.db2.gz FIZUPGJAHFQCFC-INIZCTEOSA-N 0 0 303.402 4.441 50 0 biogenic DIAARN CC(C)(C)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000001886715 180900739 /nfs/dbraw/zinc/90/07/39/180900739.db2.gz SAVTWICQXKWEDR-UHFFFAOYSA-N 0 0 304.217 4.067 50 0 DIAARN CCCOc1ccc(-c2csc(NC(=O)CCC)n2)cc1 ZINC000001903767 180901389 /nfs/dbraw/zinc/90/13/89/180901389.db2.gz XQQXETYTGLDPHC-UHFFFAOYSA-N 0 0 304.415 4.338 50 0 DIAARN C=CC(=O)Oc1ccc(C(=O)Oc2ccc(CCCC)cc2)cc1 ZINC000001921538 180901893 /nfs/dbraw/zinc/90/18/93/180901893.db2.gz SCMITPNPFWCURP-UHFFFAOYSA-N 0 0 324.376 4.340 50 0 biogenic DIAARN Cc1cccc(OCCCCn2c3ccccc3nc2[C@@H](C)O)c1 ZINC000001926799 180902203 /nfs/dbraw/zinc/90/22/03/180902203.db2.gz AAWQIRVKISVJQL-MRXNPFEDSA-N 0 0 324.424 4.257 50 0 DIAARN Cc1nn2c(nc3c(c2NC(C)C)CCCC3)c1-c1ccccc1 ZINC000002239032 180916257 /nfs/dbraw/zinc/91/62/57/180916257.db2.gz XMRPBQXTPDPZLE-UHFFFAOYSA-N 0 0 320.440 4.404 50 0 DIAARN Cc1nn2c(nc3c(c2NCC(C)C)CCC3)c1-c1ccccc1 ZINC000002237167 180916336 /nfs/dbraw/zinc/91/63/36/180916336.db2.gz YWFFERYXOWUFSK-UHFFFAOYSA-N 0 0 320.440 4.261 50 0 DIAARN Cc1cccc(Nc2cc(C)nc3c4c(nn32)nc(C)cc4C)c1 ZINC000002326464 180919680 /nfs/dbraw/zinc/91/96/80/180919680.db2.gz ZEVDNNLALRWGEX-UHFFFAOYSA-N 0 0 317.396 4.255 50 0 DIAARN Cc1cc(NCC(C)C)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002435943 180923704 /nfs/dbraw/zinc/92/37/04/180923704.db2.gz MMJZQQGIKLCQNK-UHFFFAOYSA-N 0 0 314.820 4.426 50 0 DIAARN COc1ccc(Oc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000002430366 180923938 /nfs/dbraw/zinc/92/39/38/180923938.db2.gz JNEBTQNIVDFQBU-UHFFFAOYSA-N 0 0 306.321 4.485 50 0 DIAARN CCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21 ZINC000002443619 180924460 /nfs/dbraw/zinc/92/44/60/180924460.db2.gz ZRHLHQJRYWWUCV-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN Cc1cc(Nc2ccccc2)n2ncc(-c3ccccc3)c2n1 ZINC000002419453 180923392 /nfs/dbraw/zinc/92/33/92/180923392.db2.gz KKIWVDOTLLTQBH-UHFFFAOYSA-N 0 0 300.365 4.448 50 0 DIAARN CCCOc1ccc(-c2nc3ccccc3c(OCC)n2)cc1 ZINC000002501644 180928688 /nfs/dbraw/zinc/92/86/88/180928688.db2.gz XHPCNZXFQWWFJX-UHFFFAOYSA-N 0 0 308.381 4.484 50 0 DIAARN Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000002558512 180935165 /nfs/dbraw/zinc/93/51/65/180935165.db2.gz FCPXNZXKVCSZFC-UHFFFAOYSA-N 0 0 300.427 4.242 50 0 DIAARN CCOc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002581163 180936879 /nfs/dbraw/zinc/93/68/79/180936879.db2.gz YZUXMWWGIFJHOY-UHFFFAOYSA-N 0 0 316.225 4.012 50 0 DIAARN CCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 ZINC000002580393 180937268 /nfs/dbraw/zinc/93/72/68/180937268.db2.gz PVSIQYWMCZSMFC-UHFFFAOYSA-N 0 0 306.402 4.172 50 0 DIAARN COC(=O)c1c(N)sc(C)c1-c1ccc(Cl)c(Cl)c1 ZINC000002584874 180938024 /nfs/dbraw/zinc/93/80/24/180938024.db2.gz MEMABRJYOIOTSU-UHFFFAOYSA-N 0 0 316.209 4.399 50 0 DIAARN CCCCn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)C ZINC000002601747 180938436 /nfs/dbraw/zinc/93/84/36/180938436.db2.gz NWFQNMZHWWZLOE-CYBMUJFWSA-N 0 0 301.434 4.060 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 ZINC000002595527 180938804 /nfs/dbraw/zinc/93/88/04/180938804.db2.gz NNYYFRFRGKSZST-UHFFFAOYSA-N 0 0 314.816 4.121 50 0 DIAARN CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000002618472 180939624 /nfs/dbraw/zinc/93/96/24/180939624.db2.gz DLOJVWFDSGJKEH-UHFFFAOYSA-N 0 0 314.385 4.025 50 0 DIAARN Cc1c2cc(Br)ccc2oc1C(=O)NCCC(C)C ZINC000002644754 180943400 /nfs/dbraw/zinc/94/34/00/180943400.db2.gz IJAWWPDOYZGKOE-UHFFFAOYSA-N 0 0 324.218 4.280 50 0 DIAARN COCc1c2ccccc2oc1C(=O)Nc1cc(C)cc(C)c1 ZINC000002647962 180944090 /nfs/dbraw/zinc/94/40/90/180944090.db2.gz GKIMRTWQQHZTHT-UHFFFAOYSA-N 0 0 309.365 4.448 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000002648719 180944183 /nfs/dbraw/zinc/94/41/83/180944183.db2.gz QRMIIFRUGCOUBX-CVEARBPZSA-N 0 0 311.425 4.456 50 0 DIAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1 ZINC000002632682 180941554 /nfs/dbraw/zinc/94/15/54/180941554.db2.gz SQFRTMQBVGUHTN-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN Cc1cccc(N2C(=S)N=NC2c2ccccc2Cl)c1C ZINC000002740933 180951136 /nfs/dbraw/zinc/95/11/36/180951136.db2.gz SVFVVRIYIMNNFO-UHFFFAOYSA-N 0 0 315.829 4.493 50 0 DIAARN O=C(NC1CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002748212 180951440 /nfs/dbraw/zinc/95/14/40/180951440.db2.gz DUGBOGLJMFYDLM-UHFFFAOYSA-N 0 0 322.795 4.447 50 0 DIAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CC1 ZINC000002748991 180951572 /nfs/dbraw/zinc/95/15/72/180951572.db2.gz FZKILGBPQJBIRF-UHFFFAOYSA-N 0 0 302.377 4.102 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000002737684 180950359 /nfs/dbraw/zinc/95/03/59/180950359.db2.gz OGVIVWQJZJVXRP-UHFFFAOYSA-N 0 0 315.344 4.035 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1C ZINC000002759989 180952785 /nfs/dbraw/zinc/95/27/85/180952785.db2.gz HMYHJBFCJDSYRL-HNNXBMFYSA-N 0 0 309.409 4.198 50 0 DIAARN CCOc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000002762945 180953601 /nfs/dbraw/zinc/95/36/01/180953601.db2.gz ZTLQXNGSHVJYNL-UHFFFAOYSA-N 0 0 304.415 4.092 50 0 DIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000002908288 180969947 /nfs/dbraw/zinc/96/99/47/180969947.db2.gz OJWXAPFUFIQRGE-HNNXBMFYSA-N 0 0 317.820 4.449 50 0 DIAARN Cc1ccc(SCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000002969660 180972902 /nfs/dbraw/zinc/97/29/02/180972902.db2.gz MYQDYSNTBOPNTM-UHFFFAOYSA-N 0 0 305.830 4.171 50 0 DIAARN CCCCOc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000002970406 180972963 /nfs/dbraw/zinc/97/29/63/180972963.db2.gz QDYKDWABLQLYCG-UHFFFAOYSA-N 0 0 311.381 4.320 50 0 DIAARN O=C(/C=C/c1ccccc1)NCCSc1ccc(Cl)cc1 ZINC000002978952 180973351 /nfs/dbraw/zinc/97/33/51/180973351.db2.gz VTKXVTOIYVSNRZ-IZZDOVSWSA-N 0 0 317.841 4.262 50 0 DIAARN C[C@@H](Sc1ccccc1)C(=O)NCCSc1ccccc1 ZINC000002982225 180973747 /nfs/dbraw/zinc/97/37/47/180973747.db2.gz XZALSXQIEVJZLY-CQSZACIVSA-N 0 0 317.479 4.076 50 0 DIAARN O=C(COC(=O)c1ccco1)c1ccc(C2CCCCC2)cc1 ZINC000002996874 180975997 /nfs/dbraw/zinc/97/59/97/180975997.db2.gz ZRMQVLIMCIYFSJ-UHFFFAOYSA-N 0 0 312.365 4.367 50 0 DIAARN CSCc1cc(N(C)c2ccccc2)nc(-c2ccccn2)n1 ZINC000003105270 180981397 /nfs/dbraw/zinc/98/13/97/180981397.db2.gz HMDIJVAOPRALJU-UHFFFAOYSA-N 0 0 322.437 4.170 50 0 DIAARN Cc1cc(C)c(OS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000003098850 180981494 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/nfs/dbraw/zinc/00/62/64/181006264.db2.gz HJLWLZYWNWXTEA-UHFFFAOYSA-N 0 0 306.365 4.135 50 0 DIAARN O=C(Nc1ccc(Cl)cc1F)c1ccccc1OC(F)F ZINC000003327710 181006266 /nfs/dbraw/zinc/00/62/66/181006266.db2.gz TVSVOJRTNFPQHO-UHFFFAOYSA-N 0 0 315.678 4.333 50 0 DIAARN c1nc2sc3c(c2c(Nc2ccc4c(c2)CCC4)n1)CCC3 ZINC000003319534 181004846 /nfs/dbraw/zinc/00/48/46/181004846.db2.gz QSEYGPFELVNQGN-UHFFFAOYSA-N 0 0 307.422 4.412 50 0 DIAARN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 ZINC000003325017 181005253 /nfs/dbraw/zinc/00/52/53/181005253.db2.gz USXOOUYXOWZEKN-UHFFFAOYSA-N 0 0 320.219 4.121 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCc2ccccc21 ZINC000003327942 181006188 /nfs/dbraw/zinc/00/61/88/181006188.db2.gz NGFUUZWQIRMJSP-CQSZACIVSA-N 0 0 304.393 4.110 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000003293236 181001421 /nfs/dbraw/zinc/00/14/21/181001421.db2.gz RHQJPKFUHMVKDK-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN CSc1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 ZINC000003300400 181002404 /nfs/dbraw/zinc/00/24/04/181002404.db2.gz AWPVAKVFQWTKNO-UHFFFAOYSA-N 0 0 322.769 4.010 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 ZINC000003314509 181003801 /nfs/dbraw/zinc/00/38/01/181003801.db2.gz YRHYECRASTVNSO-UHFFFAOYSA-N 0 0 313.209 4.119 50 0 DIAARN CC(=O)c1cccc(NC(=O)CSCc2ccccc2C)c1 ZINC000003380440 181013707 /nfs/dbraw/zinc/01/37/07/181013707.db2.gz ZFOZINJEKGIQPR-UHFFFAOYSA-N 0 0 313.422 4.070 50 0 DIAARN Cc1ccc(NC(=S)NCc2ccccc2Cl)cc1C ZINC000003330981 181006571 /nfs/dbraw/zinc/00/65/71/181006571.db2.gz DPBXPWXBHXSERR-UHFFFAOYSA-N 0 0 304.846 4.443 50 0 DIAARN CN(C)c1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1 ZINC000003333643 181006929 /nfs/dbraw/zinc/00/69/29/181006929.db2.gz XFAFXYSODLIINF-UHFFFAOYSA-N 0 0 323.314 4.128 50 0 DIAARN c1ccc(-c2nc3ccccc3c(-n3nnc4ccccc43)n2)cc1 ZINC000003339408 181008195 /nfs/dbraw/zinc/00/81/95/181008195.db2.gz BFOGBUXLNOKFAD-UHFFFAOYSA-N 0 0 323.359 4.031 50 0 DIAARN CCCOc1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000003342211 181008397 /nfs/dbraw/zinc/00/83/97/181008397.db2.gz TUCCQWCVPWEHPT-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1cccc(SC)c1 ZINC000003341574 181008634 /nfs/dbraw/zinc/00/86/34/181008634.db2.gz ZIPCMPMIAKCFMP-UHFFFAOYSA-N 0 0 319.451 4.391 50 0 DIAARN CSCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000003341556 181008712 /nfs/dbraw/zinc/00/87/12/181008712.db2.gz POVUWHWZCDZAJN-UHFFFAOYSA-N 0 0 305.830 4.133 50 0 DIAARN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000003346542 181008919 /nfs/dbraw/zinc/00/89/19/181008919.db2.gz ZQWYPIBBDMXBKX-GFCCVEGCSA-N 0 0 318.804 4.096 50 0 DIAARN CCN(CC)c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000003342417 181009458 /nfs/dbraw/zinc/00/94/58/181009458.db2.gz RJSKDVJROYZYCS-UHFFFAOYSA-N 0 0 316.832 4.116 50 0 DIAARN CC[C@@H](C)NC(=O)CSCc1c(Cl)cccc1Cl ZINC000003350126 181009901 /nfs/dbraw/zinc/00/99/01/181009901.db2.gz ZZKGVJXDCGELQC-SECBINFHSA-N 0 0 306.258 4.141 50 0 DIAARN O=C(Nc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCC2 ZINC000003352251 181010587 /nfs/dbraw/zinc/01/05/87/181010587.db2.gz VKWPNKOAROGEKM-UHFFFAOYSA-N 0 0 323.364 4.481 50 0 DIAARN CCCCCC(=O)Nc1ccc(-c2csc(NC)n2)cc1 ZINC000003358214 181010905 /nfs/dbraw/zinc/01/09/05/181010905.db2.gz ATGBGJULMPZSEL-UHFFFAOYSA-N 0 0 303.431 4.371 50 0 DIAARN O=C(CCCOc1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000003358466 181010921 /nfs/dbraw/zinc/01/09/21/181010921.db2.gz IREMGPLXOCXKEQ-IBGZPJMESA-N 0 0 309.409 4.039 50 0 DIAARN COc1cc(C(=O)Nc2ccccc2C(C)C)cc(OC)c1C ZINC000003403182 181015672 /nfs/dbraw/zinc/01/56/72/181015672.db2.gz FVOZHMGBRDTTCX-UHFFFAOYSA-N 0 0 313.397 4.388 50 0 DIAARN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F ZINC000003403029 181015784 /nfs/dbraw/zinc/01/57/84/181015784.db2.gz JUQFHFCHKLJYHE-QPJJXVBHSA-N 0 0 311.690 4.409 50 0 DIAARN COc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000003409652 181016391 /nfs/dbraw/zinc/01/63/91/181016391.db2.gz MUMAKDUENBMQCS-UHFFFAOYSA-N 0 0 308.381 4.138 50 0 DIAARN CCOc1ccccc1NC(=O)CNc1cccc(Cl)c1C ZINC000003411953 181016667 /nfs/dbraw/zinc/01/66/67/181016667.db2.gz KPOMJGIGZXNAJO-UHFFFAOYSA-N 0 0 318.804 4.098 50 0 DIAARN Cc1csc(SCc2cc(=O)oc3c(C)c(C)ccc23)n1 ZINC000003413760 181016802 /nfs/dbraw/zinc/01/68/02/181016802.db2.gz FCNKDNFASDRDPI-UHFFFAOYSA-N 0 0 317.435 4.467 50 0 DIAARN O=C(CSc1cc(Cl)ccc1Cl)NC1CCCC1 ZINC000003417422 181016918 /nfs/dbraw/zinc/01/69/18/181016918.db2.gz NQBVKROKLJCSAP-UHFFFAOYSA-N 0 0 304.242 4.144 50 0 DIAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000003423104 181017380 /nfs/dbraw/zinc/01/73/80/181017380.db2.gz JRWJAMVXRRIWJH-JTQLQIEISA-N 0 0 311.278 4.336 50 0 DIAARN CN(Cc1cccs1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000003422789 181017467 /nfs/dbraw/zinc/01/74/67/181017467.db2.gz MDBSSVHKULYJAD-UHFFFAOYSA-N 0 0 312.438 4.211 50 0 DIAARN CC(C)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000003427530 181018188 /nfs/dbraw/zinc/01/81/88/181018188.db2.gz NKNUMMPCFHXEOO-UHFFFAOYSA-N 0 0 306.409 4.264 50 0 DIAARN Cc1ccc(NCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000003427308 181018391 /nfs/dbraw/zinc/01/83/91/181018391.db2.gz SMDVSFHCAIWHDU-UHFFFAOYSA-N 0 0 302.805 4.316 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000003430946 181018842 /nfs/dbraw/zinc/01/88/42/181018842.db2.gz YASQYRDNQGAMSB-UHFFFAOYSA-N 0 0 310.216 4.380 50 0 DIAARN COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000003431906 181018861 /nfs/dbraw/zinc/01/88/61/181018861.db2.gz UDNAQGWKNBHHBG-JTQLQIEISA-N 0 0 324.207 4.493 50 0 DIAARN COc1ccccc1NC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000003434392 181018939 /nfs/dbraw/zinc/01/89/39/181018939.db2.gz TVLRFWWJOSJVOK-UHFFFAOYSA-N 0 0 305.403 4.093 50 0 DIAARN CCOc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000003435641 181019737 /nfs/dbraw/zinc/01/97/37/181019737.db2.gz MWKLIGKJBZOMOU-UHFFFAOYSA-N 0 0 315.800 4.409 50 0 DIAARN CCOCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000003440475 181020334 /nfs/dbraw/zinc/02/03/34/181020334.db2.gz IBYOIDMGKUZLJK-UHFFFAOYSA-N 0 0 308.381 4.084 50 0 DIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCC1CCCCC1 ZINC000003443692 181020439 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ZINC000003908412 181056765 /nfs/dbraw/zinc/05/67/65/181056765.db2.gz ZGPDOGUYWICJRO-UHFFFAOYSA-N 0 0 322.242 4.206 50 0 DIAARN CCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000004032372 181065026 /nfs/dbraw/zinc/06/50/26/181065026.db2.gz PZLLLIFEWZVEKO-UHFFFAOYSA-N 0 0 321.424 4.040 50 0 DIAARN CCC(CC)C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C ZINC000004033057 181065105 /nfs/dbraw/zinc/06/51/05/181065105.db2.gz XSMFPPVAPJYHGP-UHFFFAOYSA-N 0 0 322.412 4.079 50 0 DIAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/C=C/c1ccccc1 ZINC000003910741 181057571 /nfs/dbraw/zinc/05/75/71/181057571.db2.gz CQLPNSSOUAVJOB-LTCJSSOGSA-N 0 0 301.345 4.252 50 0 aggregator DIAARN CCc1cc(OC)cc(O)c1-c1n[nH]cc1-c1ccc(OC)cc1 ZINC000003985083 181060296 /nfs/dbraw/zinc/06/02/96/181060296.db2.gz FBYHCTXYLTUNGY-UHFFFAOYSA-N 0 0 324.380 4.029 50 0 biogenic DIAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1cc[nH]n1 ZINC000004002798 181061589 /nfs/dbraw/zinc/06/15/89/181061589.db2.gz MCZMSSSDSPOYGI-LURJTMIESA-N 0 0 307.728 4.330 50 0 DIAARN Cc1ccc2ccccc2c1NC(=S)NC(=O)c1ccccc1 ZINC000004052763 181067130 /nfs/dbraw/zinc/06/71/30/181067130.db2.gz DAMOHGLFZRZTPH-UHFFFAOYSA-N 0 0 320.417 4.275 50 0 DIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1 ZINC000004059163 181068095 /nfs/dbraw/zinc/06/80/95/181068095.db2.gz VCQWELBLOBIXGT-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Cc1cc2cc(CNC(=O)c3cc(C)cc(C)c3)ccc2n1C ZINC000004061477 181068150 /nfs/dbraw/zinc/06/81/50/181068150.db2.gz VMXHBEWNZAZNRE-UHFFFAOYSA-N 0 0 306.409 4.034 50 0 DIAARN Cc1cc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000004061509 181068213 /nfs/dbraw/zinc/06/82/13/181068213.db2.gz QCMAHBNQQZCJOH-UHFFFAOYSA-N 0 0 312.800 4.070 50 0 DIAARN CCCCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004072067 181069748 /nfs/dbraw/zinc/06/97/48/181069748.db2.gz MYFKSSQSIVKHBF-UHFFFAOYSA-N 0 0 319.474 4.135 50 0 DIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCCC1 ZINC000004072165 181069888 /nfs/dbraw/zinc/06/98/88/181069888.db2.gz HEOCDHPJAKFEQM-UHFFFAOYSA-N 0 0 321.833 4.377 50 0 DIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000004072167 181069953 /nfs/dbraw/zinc/06/99/53/181069953.db2.gz PGKLCMZSARQIKX-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN O=C(Nc1ccon1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000004174544 181081822 /nfs/dbraw/zinc/08/18/22/181081822.db2.gz QWZOYQCULBZQEU-INIZCTEOSA-N 0 0 310.378 4.147 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000004163634 181080082 /nfs/dbraw/zinc/08/00/82/181080082.db2.gz VQGSWORVXSDWGS-UHFFFAOYSA-N 0 0 320.392 4.421 50 0 DIAARN CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(C)c(C)c1 ZINC000004163361 181080286 /nfs/dbraw/zinc/08/02/86/181080286.db2.gz OIVRJPKUJCHNRF-UHFFFAOYSA-N 0 0 320.392 4.021 50 0 DIAARN Cc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000004167000 181080947 /nfs/dbraw/zinc/08/09/47/181080947.db2.gz RBHYEKSUYYNXDO-UHFFFAOYSA-N 0 0 322.433 4.091 50 0 DIAARN O=c1c2ccccc2nc(NC2CCCCC2)n1-c1ccccc1 ZINC000004168218 181080964 /nfs/dbraw/zinc/08/09/64/181080964.db2.gz LXVZSULQDBTVPU-UHFFFAOYSA-N 0 0 319.408 4.130 50 0 DIAARN Cc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)cc1 ZINC000004169829 181081303 /nfs/dbraw/zinc/08/13/03/181081303.db2.gz LGVYYQDGDZYXML-UHFFFAOYSA-N 0 0 324.767 4.095 50 0 DIAARN Cc1ccccc1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000004182039 181082750 /nfs/dbraw/zinc/08/27/50/181082750.db2.gz DGTPKNRUVHAPSW-UHFFFAOYSA-N 0 0 306.394 4.107 50 0 DIAARN O=C(Nc1ccccc1F)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000004189805 181083265 /nfs/dbraw/zinc/08/32/65/181083265.db2.gz GGUBAOBARFCCSV-ZIAGYGMSSA-N 0 0 324.182 4.352 50 0 DIAARN Cc1ccc2nc(CSc3nc(C)nc4ccccc43)cn2c1 ZINC000004221312 181086208 /nfs/dbraw/zinc/08/62/08/181086208.db2.gz AFJBJSWLXSVMCK-UHFFFAOYSA-N 0 0 320.421 4.187 50 0 DIAARN O=C(/C=C/c1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000004224127 181086237 /nfs/dbraw/zinc/08/62/37/181086237.db2.gz LMOBPSZYEFCURC-BQYQJAHWSA-N 0 0 324.430 4.428 50 0 DIAARN Cc1[nH]c2ccccc2c1SCC(=O)N1CCc2ccccc21 ZINC000004264155 181089063 /nfs/dbraw/zinc/08/90/63/181089063.db2.gz VZSLXHKEDDEFMB-UHFFFAOYSA-N 0 0 322.433 4.158 50 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Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccccc1C)C2 ZINC000004992925 181186861 /nfs/dbraw/zinc/18/68/61/181186861.db2.gz JMPCWGIRXVNXEY-INIZCTEOSA-N 0 0 316.404 4.402 50 0 DIAARN COc1ccc(C)cc1NC(=O)CCc1cccc2[nH]ccc21 ZINC000075550475 191489384 /nfs/dbraw/zinc/48/93/84/191489384.db2.gz UZUXRRWTWVSBAR-UHFFFAOYSA-N 0 0 308.381 4.056 50 0 DIAARN O=C1c2ccccc2C(=O)N1c1ccc2oc3ccccc3c2c1 ZINC000005002729 181188778 /nfs/dbraw/zinc/18/87/78/181188778.db2.gz WZNSBJQSZUKEHM-UHFFFAOYSA-N 0 0 313.312 4.387 50 0 DIAARN Fc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000005019766 181191860 /nfs/dbraw/zinc/19/18/60/181191860.db2.gz HLGKTUKUEMPIGA-UHFFFAOYSA-N 0 0 319.133 4.305 50 0 DIAARN Cc1ccc(C)c(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1 ZINC000005034396 181194380 /nfs/dbraw/zinc/19/43/80/181194380.db2.gz DYVAWLRSTCSOSV-MDZDMXLPSA-N 0 0 305.377 4.274 50 0 DIAARN c1csc([C@H](Nc2ncnc3c4ccccc4oc32)C2CC2)n1 ZINC000076061028 191565358 /nfs/dbraw/zinc/56/53/58/191565358.db2.gz MQNWISURXKHQJJ-CYBMUJFWSA-N 0 0 322.393 4.396 50 0 DIAARN CCOc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)cc1 ZINC000005034424 181194704 /nfs/dbraw/zinc/19/47/04/181194704.db2.gz VSLQAJHECLGXPN-KPKJPENVSA-N 0 0 321.376 4.056 50 0 DIAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)c1ccc(F)c(F)c1 ZINC000005033995 181194813 /nfs/dbraw/zinc/19/48/13/181194813.db2.gz ZDORSIXJJRYBGC-SECBINFHSA-N 0 0 319.332 4.470 50 0 DIAARN O=C(OCc1nc2ccccc2s1)c1ccccc1Cl ZINC000005059339 181198530 /nfs/dbraw/zinc/19/85/30/181198530.db2.gz TZZPHMKSVNYOPH-UHFFFAOYSA-N 0 0 303.770 4.307 50 0 DIAARN CC(C)CCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050736 181196792 /nfs/dbraw/zinc/19/67/92/181196792.db2.gz NFQDMQQHQABZIU-UHFFFAOYSA-N 0 0 301.411 4.083 50 0 DIAARN O=C(Nc1cccc2ccccc21)c1ccc2nsnc2c1 ZINC000005050437 181197188 /nfs/dbraw/zinc/19/71/88/181197188.db2.gz KJWDNEQXIKRQAY-UHFFFAOYSA-N 0 0 305.362 4.097 50 0 DIAARN Cc1cc2cc(CNC(=S)Nc3cccc(F)c3)ccc2[nH]1 ZINC000005066029 181200072 /nfs/dbraw/zinc/20/00/72/181200072.db2.gz SYWZQRMVOWCWKL-UHFFFAOYSA-N 0 0 313.401 4.102 50 0 DIAARN COc1cccc(NC(=O)c2ccc(Cc3ccc(C)cc3)o2)c1 ZINC000005093836 181203337 /nfs/dbraw/zinc/20/33/37/181203337.db2.gz ZKXGJUSFSBBQIB-UHFFFAOYSA-N 0 0 321.376 4.440 50 0 DIAARN O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1F ZINC000005126416 181206205 /nfs/dbraw/zinc/20/62/05/181206205.db2.gz NXJSAPMQZVRWBW-UHFFFAOYSA-N 0 0 305.736 4.081 50 0 DIAARN CCc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000005133601 181207971 /nfs/dbraw/zinc/20/79/71/181207971.db2.gz YOIYHFKWCIFLRJ-UHFFFAOYSA-N 0 0 309.818 4.012 50 0 DIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl ZINC000005135453 181208061 /nfs/dbraw/zinc/20/80/61/181208061.db2.gz WUBUHLYHONUTQA-HNNXBMFYSA-N 0 0 317.820 4.449 50 0 DIAARN Cn1c(C(=O)NC2CCCCCC2)cc2oc3ccccc3c21 ZINC000005149836 181210028 /nfs/dbraw/zinc/21/00/28/181210028.db2.gz MFCSUAZROUCIET-UHFFFAOYSA-N 0 0 310.397 4.377 50 0 DIAARN CCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000005157042 181211715 /nfs/dbraw/zinc/21/17/15/181211715.db2.gz IIOITNFPKVECSZ-UHFFFAOYSA-N 0 0 302.381 4.447 50 0 DIAARN Cc1cc(-c2csc(N)n2)c(C)n1CCc1ccc(F)cc1 ZINC000005156678 181211737 /nfs/dbraw/zinc/21/17/37/181211737.db2.gz HNICBIIVZJUKHW-UHFFFAOYSA-N 0 0 315.417 4.192 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(F)cc1 ZINC000005184099 181214511 /nfs/dbraw/zinc/21/45/11/181214511.db2.gz NBVYHGLSZLZCFE-UHFFFAOYSA-N 0 0 311.356 4.373 50 0 DIAARN COc1cccc(Nc2nc(C)nc3c4ccccc4oc32)c1 ZINC000005185314 181214681 /nfs/dbraw/zinc/21/46/81/181214681.db2.gz UVRHUKFDGQSOQW-UHFFFAOYSA-N 0 0 305.337 4.437 50 0 DIAARN CC(C)[C@@H](C(=O)N[C@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000005226930 181218775 /nfs/dbraw/zinc/21/87/75/181218775.db2.gz QJHDKYJHBQENLR-CXAGYDPISA-N 0 0 316.832 4.352 50 0 DIAARN Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)c1nccs1 ZINC000078602693 191893145 /nfs/dbraw/zinc/89/31/45/191893145.db2.gz QXXLXGNVEDOFPH-LBPRGKRZSA-N 0 0 319.430 4.121 50 0 DIAARN Cn1cc(NC(=O)NCc2ccc(Cl)cc2)c2ccccc21 ZINC000005265708 181224052 /nfs/dbraw/zinc/22/40/52/181224052.db2.gz YEONMIVDKVGTFC-UHFFFAOYSA-N 0 0 313.788 4.153 50 0 DIAARN Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(C)c1 ZINC000005267957 181224208 /nfs/dbraw/zinc/22/42/08/181224208.db2.gz JGLIYBKNWHOAAP-GFCCVEGCSA-N 0 0 314.454 4.066 50 0 DIAARN O=C(Cc1ccc(F)cc1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000005268391 181224995 /nfs/dbraw/zinc/22/49/95/181224995.db2.gz HBBCHGGONCUYBC-UHFFFAOYSA-N 0 0 324.380 4.035 50 0 DIAARN Cc1nc2ccccc2n1CC(=O)Nc1cccc2ccccc21 ZINC000005238394 181220397 /nfs/dbraw/zinc/22/03/97/181220397.db2.gz KGYGJOOVAKYEJR-UHFFFAOYSA-N 0 0 315.376 4.137 50 0 DIAARN C[C@H](Nc1ncnc2sccc21)c1ccc(-n2ccnc2)cc1 ZINC000005265224 181223483 /nfs/dbraw/zinc/22/34/83/181223483.db2.gz YLNDAAYBAFAVRY-LBPRGKRZSA-N 0 0 321.409 4.050 50 0 DIAARN Cc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)c(C)c1 ZINC000005264449 181223741 /nfs/dbraw/zinc/22/37/41/181223741.db2.gz YWAPTNAUARUOKR-UHFFFAOYSA-N 0 0 323.421 4.003 50 0 DIAARN CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000005378488 181236373 /nfs/dbraw/zinc/23/63/73/181236373.db2.gz OLMOWMFEPWSZNB-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN CCOc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 ZINC000005381032 181236902 /nfs/dbraw/zinc/23/69/02/181236902.db2.gz JIBDNJWZNRPYDS-UHFFFAOYSA-N 0 0 323.421 4.230 50 0 DIAARN CC1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000005416746 181240901 /nfs/dbraw/zinc/24/09/01/181240901.db2.gz OQAIDQQJBZUBFX-UHFFFAOYSA-N 0 0 307.437 4.344 50 0 DIAARN CN(C)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000005393731 181238909 /nfs/dbraw/zinc/23/89/09/181238909.db2.gz WIKPDVCCTOFPDP-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN COc1ccc(C)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005280968 181225959 /nfs/dbraw/zinc/22/59/59/181225959.db2.gz XCNCYJZYTZANCV-UHFFFAOYSA-N 0 0 314.425 4.263 50 0 DIAARN CCC(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl ZINC000005296823 181227193 /nfs/dbraw/zinc/22/71/93/181227193.db2.gz SNPNIZRNCROJMI-SNVBAGLBSA-N 0 0 312.649 4.001 50 0 DIAARN O=C(Nc1ncnc2sccc21)c1cc(Cl)ccc1Cl ZINC000005299423 181227864 /nfs/dbraw/zinc/22/78/64/181227864.db2.gz QQYAQFVEUVVSMY-UHFFFAOYSA-N 0 0 324.192 4.250 50 0 DIAARN O=C(CCc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000005345868 181232553 /nfs/dbraw/zinc/23/25/53/181232553.db2.gz YIKURAZYSURMEO-UHFFFAOYSA-N 0 0 307.437 4.247 50 0 DIAARN Cc1c(C)n(-c2cccnc2)c2ncnc(NC3CCCCC3)c12 ZINC000005349133 181233132 /nfs/dbraw/zinc/23/31/32/181233132.db2.gz MASKVMAXAZVCBF-UHFFFAOYSA-N 0 0 321.428 4.177 50 0 DIAARN CCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(OC)cc2c1C ZINC000005347245 181233229 /nfs/dbraw/zinc/23/32/29/181233229.db2.gz SPVHTCBQULAPEV-UHFFFAOYSA-N 0 0 322.408 4.147 50 0 DIAARN COc1cc(OC)c(OC)cc1/C=C\c1nc2ccccc2o1 ZINC000005437691 181242889 /nfs/dbraw/zinc/24/28/89/181242889.db2.gz REFLJZKYKCSIII-HJWRWDBZSA-N 0 0 311.337 4.024 50 0 DIAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2C)c1C ZINC000005437563 181242897 /nfs/dbraw/zinc/24/28/97/181242897.db2.gz IZIIOLUZJSBTSL-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000005430816 181243040 /nfs/dbraw/zinc/24/30/40/181243040.db2.gz KYFBXCHUXFKMGQ-IBGZPJMESA-N 0 0 324.376 4.313 50 0 biogenic,in-vitro DIAARN C[C@H](NC(=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005444021 181244198 /nfs/dbraw/zinc/24/41/98/181244198.db2.gz CMLSSHAYTDPMOG-UHSVVUDUSA-N 0 0 301.405 4.160 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)N[C@H]1CCCc2ccccc21 ZINC000005442926 181244258 /nfs/dbraw/zinc/24/42/58/181244258.db2.gz WZRATAXQVZQAFH-KRWDZBQOSA-N 0 0 317.791 4.215 50 0 DIAARN CCc1ccc(NC(=O)COc2cccc3ccc(C)nc32)cc1 ZINC000005468630 181247316 /nfs/dbraw/zinc/24/73/16/181247316.db2.gz BOQJNQJKWGMICG-UHFFFAOYSA-N 0 0 320.392 4.123 50 0 DIAARN CCCNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21 ZINC000005468645 181247534 /nfs/dbraw/zinc/24/75/34/181247534.db2.gz KTRCTYZWWCOLKZ-UHFFFAOYSA-N 0 0 304.393 4.350 50 0 DIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 ZINC000005515517 181252525 /nfs/dbraw/zinc/25/25/25/181252525.db2.gz ZKDQDUXWENMQCD-NSHDSACASA-N 0 0 324.207 4.077 50 0 DIAARN O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000005569526 181258435 /nfs/dbraw/zinc/25/84/35/181258435.db2.gz BVIJIQPOPSSBFA-UHFFFAOYSA-N 0 0 318.657 4.145 50 0 DIAARN O=C(c1ccccc1CCc1ccccc1)N1CCCCCC1 ZINC000005603069 181262443 /nfs/dbraw/zinc/26/24/43/181262443.db2.gz IEHVWBSZMBCIEQ-UHFFFAOYSA-N 0 0 307.437 4.488 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(F)c(F)cc1Cl ZINC000005611274 181263354 /nfs/dbraw/zinc/26/33/54/181263354.db2.gz SXKXJZXJVYDZTM-UHFFFAOYSA-N 0 0 307.727 4.359 50 0 DIAARN CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000005616931 181264043 /nfs/dbraw/zinc/26/40/43/181264043.db2.gz GESQJYOSHDEKQO-HNNXBMFYSA-N 0 0 313.397 4.145 50 0 DIAARN CCc1cccc(OCC(=O)Nc2ccc(C)cc2Cl)c1 ZINC000005637088 181266726 /nfs/dbraw/zinc/26/67/26/181266726.db2.gz QEASEKQMTHMHIJ-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN CCOc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000005637061 181266795 /nfs/dbraw/zinc/26/67/95/181266795.db2.gz MNOSKZQVMBFPLG-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005676993 181270615 /nfs/dbraw/zinc/27/06/15/181270615.db2.gz RVDJOXVKXSFFMR-XXWNAHEMSA-N 0 0 310.441 4.116 50 0 DIAARN COCc1c2ccccc2oc1C(=O)Nc1cc(F)ccc1F ZINC000005676781 181270801 /nfs/dbraw/zinc/27/08/01/181270801.db2.gz KFJFPPSSCVNPGL-UHFFFAOYSA-N 0 0 317.291 4.110 50 0 DIAARN COc1ccc(CCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000005679585 181271545 /nfs/dbraw/zinc/27/15/45/181271545.db2.gz ZACIMKYTFVBMTJ-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000005661610 181268475 /nfs/dbraw/zinc/26/84/75/181268475.db2.gz CBERVHDLXHUIDA-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN Cc1ccccc1-n1c(SCC(C)C)nnc1-c1cccnc1 ZINC000005694654 181273261 /nfs/dbraw/zinc/27/32/61/181273261.db2.gz DJEOBGUXWUZHPR-UHFFFAOYSA-N 0 0 324.453 4.386 50 0 DIAARN CCN(CC)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000005708486 181275400 /nfs/dbraw/zinc/27/54/00/181275400.db2.gz JYSOTKHGGWYJOO-UHFFFAOYSA-N 0 0 307.397 4.152 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CCCCC2 ZINC000005717879 181275996 /nfs/dbraw/zinc/27/59/96/181275996.db2.gz QZTNVSCZANMFDV-UHFFFAOYSA-N 0 0 323.458 4.178 50 0 DIAARN 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ZINC000010995131 181682786 /nfs/dbraw/zinc/68/27/86/181682786.db2.gz POZISTBJZKOOAL-UHFFFAOYSA-N 0 0 319.404 4.265 50 0 DIAARN O=C(c1ccsc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074710 181684982 /nfs/dbraw/zinc/68/49/82/181684982.db2.gz KIPONPWUZOTHKP-UHFFFAOYSA-N 0 0 308.406 4.159 50 0 DIAARN CC[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000011309230 181688547 /nfs/dbraw/zinc/68/85/47/181688547.db2.gz HZCWDSWWDNXHOT-SFHVURJKSA-N 0 0 322.408 4.167 50 0 DIAARN CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000010213394 181660827 /nfs/dbraw/zinc/66/08/27/181660827.db2.gz BKBBSWSYLPDOEZ-UHFFFAOYSA-N 0 0 322.767 4.022 50 0 DIAARN O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1cccs1 ZINC000011613696 181695401 /nfs/dbraw/zinc/69/54/01/181695401.db2.gz OUKLACUSYFQWJU-UHFFFAOYSA-N 0 0 321.304 4.038 50 0 DIAARN O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccs1 ZINC000012236701 181742822 /nfs/dbraw/zinc/74/28/22/181742822.db2.gz VKKXCMVDTQZNPO-UHFFFAOYSA-N 0 0 319.769 4.414 50 0 DIAARN Cc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)c(C)c1 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COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(C)C)cc1 ZINC000012773467 181795722 /nfs/dbraw/zinc/79/57/22/181795722.db2.gz XMBPJHUJKXJQHW-IBGZPJMESA-N 0 0 324.424 4.023 50 0 DIAARN COc1cc2ccccc2cc1C(=O)Nc1cccnc1Cl ZINC000012778227 181796692 /nfs/dbraw/zinc/79/66/92/181796692.db2.gz UBPFIOBTAIPHKK-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN Cc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c(C)o1 ZINC000012783498 181797313 /nfs/dbraw/zinc/79/73/13/181797313.db2.gz RSGDOIRWPMNVIE-AWEZNQCLSA-N 0 0 305.374 4.002 50 0 DIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)cc(F)c1 ZINC000012872471 181805213 /nfs/dbraw/zinc/80/52/13/181805213.db2.gz AXGLBZLPRTXUPW-INIZCTEOSA-N 0 0 321.754 4.499 50 0 DIAARN CC(C)c1cc(C(=O)Nc2ccccc2)c2cnn(C(C)C)c2n1 ZINC000012887794 181807486 /nfs/dbraw/zinc/80/74/86/181807486.db2.gz HFNSPGGWVDWKGV-UHFFFAOYSA-N 0 0 322.412 4.388 50 0 DIAARN COc1ccc(NC(=O)CCCC2CCCCC2)c(OC)c1 ZINC000012805125 181800219 /nfs/dbraw/zinc/80/02/19/181800219.db2.gz BQDGEFVKOUWMGM-UHFFFAOYSA-N 0 0 305.418 4.393 50 0 DIAARN CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2)cc1 ZINC000012813568 181800389 /nfs/dbraw/zinc/80/03/89/181800389.db2.gz RLSKKRBSVFSLDL-CYBMUJFWSA-N 0 0 316.832 4.425 50 0 DIAARN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(C)n1C1CC1 ZINC000012814528 181800412 /nfs/dbraw/zinc/80/04/12/181800412.db2.gz MRZMEGCDPOKJRE-JKSUJKDBSA-N 0 0 300.446 4.092 50 0 DIAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(F)(F)F)c12 ZINC000012810224 181800960 /nfs/dbraw/zinc/80/09/60/181800960.db2.gz GWGIRQCGDCIEKP-UHFFFAOYSA-N 0 0 305.303 4.365 50 0 DIAARN O=C(OCc1ccccc1Cl)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012818358 181801558 /nfs/dbraw/zinc/80/15/58/181801558.db2.gz ZUFWEJSRCYKEIG-HNNXBMFYSA-N 0 0 323.175 4.040 50 0 DIAARN O=C(CSc1ccc(F)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000012850812 181803349 /nfs/dbraw/zinc/80/33/49/181803349.db2.gz HPDOQQCRFYVBRQ-GOSISDBHSA-N 0 0 315.413 4.185 50 0 DIAARN CCCCCNC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012909067 181810083 /nfs/dbraw/zinc/81/00/83/181810083.db2.gz YGRIKKKHJBHJCJ-INIZCTEOSA-N 0 0 302.443 4.327 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4.148 50 0 in-vitro DIAARN O=C(Nc1ccccc1SCC(F)(F)F)c1ccoc1 ZINC000012987493 181819264 /nfs/dbraw/zinc/81/92/64/181819264.db2.gz ZPDAZFQSSPSMMG-UHFFFAOYSA-N 0 0 301.289 4.186 50 0 DIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1F ZINC000012994905 181820069 /nfs/dbraw/zinc/82/00/69/181820069.db2.gz FYMPFDZUCSDUDS-INIZCTEOSA-N 0 0 303.764 4.360 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)cc1 ZINC000012996387 181820094 /nfs/dbraw/zinc/82/00/94/181820094.db2.gz SAHHQCQNXMUQDG-BNCSFYMNSA-N 0 0 321.420 4.381 50 0 DIAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 ZINC000013325391 181843356 /nfs/dbraw/zinc/84/33/56/181843356.db2.gz VZYUQGAFHWQEDK-UHFFFAOYSA-N 0 0 306.192 4.192 50 0 DIAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000013330127 181844950 /nfs/dbraw/zinc/84/49/50/181844950.db2.gz FELFCXNYILITQS-MRXNPFEDSA-N 0 0 323.845 4.078 50 0 DIAARN C[C@H](NC(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC000013329989 181844988 /nfs/dbraw/zinc/84/49/88/181844988.db2.gz ZLNWJRHUCKWUAY-VIFPVBQESA-N 0 0 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Oc1ccc(-c2nc3cnccn3c2NC2CCCCCC2)cc1 ZINC000015414470 182001166 /nfs/dbraw/zinc/00/11/66/182001166.db2.gz GMPNWGMZCOWCJA-UHFFFAOYSA-N 0 0 322.412 4.237 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000015575991 182007808 /nfs/dbraw/zinc/00/78/08/182007808.db2.gz ZOABESMFLXDZTK-CBHXRGPZSA-N 0 0 321.420 4.381 50 0 DIAARN Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4C)no3)cc2c1 ZINC000015678962 182012471 /nfs/dbraw/zinc/01/24/71/182012471.db2.gz HKZPISGXJYOIQX-UHFFFAOYSA-N 0 0 318.332 4.127 50 0 DIAARN COc1cccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000015694962 182013097 /nfs/dbraw/zinc/01/30/97/182013097.db2.gz RHRQKFGCFTYFIJ-NSHDSACASA-N 0 0 323.314 4.205 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2noc3c2CCc2sccc2-3)c1 ZINC000015733287 182014492 /nfs/dbraw/zinc/01/44/92/182014492.db2.gz UHTHJSHNMBANBK-UHFFFAOYSA-N 0 0 324.405 4.371 50 0 DIAARN COc1cccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)c1 ZINC000015771275 182015670 /nfs/dbraw/zinc/01/56/70/182015670.db2.gz WHZYNUMXMCHKFX-LJQANCHMSA-N 0 0 320.392 4.115 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CCCCOc1ccc(NC(=O)CC(C)C)c2cccnc12 ZINC000015841132 182021638 /nfs/dbraw/zinc/02/16/38/182021638.db2.gz XDBZRNGIAQOFHW-UHFFFAOYSA-N 0 0 300.402 4.398 50 0 DIAARN CCCOc1ccc(NC(=O)c2ccccc2F)c2cccnc12 ZINC000015841007 182021978 /nfs/dbraw/zinc/02/19/78/182021978.db2.gz DBQIDSPAXDQNHI-UHFFFAOYSA-N 0 0 324.355 4.415 50 0 DIAARN CC(C)CC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1 ZINC000015863733 182022232 /nfs/dbraw/zinc/02/22/32/182022232.db2.gz JIKJGAQFKPHGLW-UHFFFAOYSA-N 0 0 321.424 4.333 50 0 DIAARN CCCCC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1 ZINC000015863743 182022321 /nfs/dbraw/zinc/02/23/21/182022321.db2.gz QYXWDYAYWYXTDJ-UHFFFAOYSA-N 0 0 321.424 4.477 50 0 DIAARN CCCN(CCC)c1ncnc2c1cnn2-c1cc(C)ccc1C ZINC000015880907 182023730 /nfs/dbraw/zinc/02/37/30/182023730.db2.gz ZVTIYTMWLQHGTA-UHFFFAOYSA-N 0 0 323.444 4.059 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000015923179 182024268 /nfs/dbraw/zinc/02/42/68/182024268.db2.gz JDPQQKSEFHYROE-UHFFFAOYSA-N 0 0 323.801 4.221 50 0 DIAARN 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DIAARN COc1ccc([C@H](O)C[C@H](O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000077028344 331957592 /nfs/dbraw/zinc/95/75/92/331957592.db2.gz GTIRDWBOUTYFQO-RBUKOAKNSA-N 0 0 314.425 4.150 50 0 DIAARN O=C(NCCc1ccccc1)C1(c2ccc(Cl)cc2)CCC1 ZINC000006850079 332713903 /nfs/dbraw/zinc/71/39/03/332713903.db2.gz CWBYBXNRDLWUIY-UHFFFAOYSA-N 0 0 313.828 4.121 50 0 DIAARN Cc1nccn1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000570226902 332729108 /nfs/dbraw/zinc/72/91/08/332729108.db2.gz WYJHUCSFKJMMRG-HOCLYGCPSA-N 0 0 324.346 4.378 50 0 DIAARN Cc1nc2ccc(NC(=O)NCCC3=CCCCC3)cc2nc1C ZINC000003003992 332950468 /nfs/dbraw/zinc/95/04/68/332950468.db2.gz FOLJRYRUFVSRDV-UHFFFAOYSA-N 0 0 324.428 4.259 50 0 DIAARN Cc1cc(OC[C@@H](O)CSc2ccccn2)ccc1C(C)C ZINC000016839845 333213446 /nfs/dbraw/zinc/21/34/46/333213446.db2.gz BUSAFQDPGGVTRM-OAHLLOKOSA-N 0 0 317.454 4.045 50 0 DIAARN Cc1ccccc1-c1cccc(CNCc2noc(C3CC3)n2)c1 ZINC000449299195 338610854 /nfs/dbraw/zinc/61/08/54/338610854.db2.gz MBUBBBYDONLLTH-UHFFFAOYSA-N 0 0 319.408 4.212 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COc1cccc(NC(=S)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000000136883 563222940 /nfs/dbraw/zinc/22/29/40/563222940.db2.gz HEEYGXFJGHYMPM-TZMCWYRMSA-N 0 0 306.475 4.196 50 0 DIAARN O=C(CCCc1ccccc1)Nc1ccc(Br)cc1 ZINC000000198204 563229629 /nfs/dbraw/zinc/22/96/29/563229629.db2.gz PFYALFMAGZUDDX-UHFFFAOYSA-N 0 0 318.214 4.411 50 0 DIAARN O=C(CN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000204363 563230534 /nfs/dbraw/zinc/23/05/34/563230534.db2.gz QSKNLXHXNJSEEF-UHFFFAOYSA-N 0 0 303.789 4.269 50 0 DIAARN Cc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000000183627 563228678 /nfs/dbraw/zinc/22/86/78/563228678.db2.gz RAVKGVBCSWBESJ-UHFFFAOYSA-N 0 0 301.187 4.156 50 0 DIAARN Cc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1C ZINC000000406636 563251338 /nfs/dbraw/zinc/25/13/38/563251338.db2.gz GEBGYBLAQHJTLM-UHFFFAOYSA-N 0 0 320.175 4.411 50 0 DIAARN O=C(Nc1cccc(Br)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000409456 563252206 /nfs/dbraw/zinc/25/22/06/563252206.db2.gz WMBYMNJEMSNTLP-CABCVRRESA-N 0 0 316.198 4.191 50 0 DIAARN CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1F ZINC000000453621 563257003 /nfs/dbraw/zinc/25/70/03/563257003.db2.gz GPUBJCFAQYWLHM-UHFFFAOYSA-N 0 0 308.736 4.269 50 0 DIAARN Cc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000000454442 563257336 /nfs/dbraw/zinc/25/73/36/563257336.db2.gz HTPGBQHZVCVJMZ-UHFFFAOYSA-N 0 0 319.857 4.198 50 0 DIAARN CCNc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000001396714 563282167 /nfs/dbraw/zinc/28/21/67/563282167.db2.gz VOVYJRQSBKJRBQ-UHFFFAOYSA-N 0 0 317.311 4.218 50 0 DIAARN CC(=O)c1cccc(NC(=O)Oc2ccc(F)cc2Cl)c1 ZINC000001741589 563294295 /nfs/dbraw/zinc/29/42/95/563294295.db2.gz YTGXXLMQAUURGJ-UHFFFAOYSA-N 0 0 307.708 4.293 50 0 DIAARN COc1cc(SC)ccc1C(=O)N[C@@H](C)CCCC(C)C ZINC000002990839 563320085 /nfs/dbraw/zinc/32/00/85/563320085.db2.gz HUVTWJOKQBGTGW-ZDUSSCGKSA-N 0 0 309.475 4.362 50 0 DIAARN C[C@H](Sc1ccccc1)C(=O)NCCSc1ccccc1 ZINC000002982224 563318560 /nfs/dbraw/zinc/31/85/60/563318560.db2.gz XZALSXQIEVJZLY-AWEZNQCLSA-N 0 0 317.479 4.076 50 0 DIAARN CC(C)Cc1nnc([C@@H](C)N[C@@H](C)c2ccccc2Cl)o1 ZINC000071893840 563325514 /nfs/dbraw/zinc/32/55/14/563325514.db2.gz YCHRKHSKUYEBLO-NWDGAFQWSA-N 0 0 307.825 4.333 50 0 DIAARN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(F)c2F)cs1 ZINC000071907670 563332424 /nfs/dbraw/zinc/33/24/24/563332424.db2.gz VNYMKOIQUTWHSY-SECBINFHSA-N 0 0 310.369 4.036 50 0 DIAARN COCc1cc(Cl)nc(SCc2ccc(Cl)cc2)n1 ZINC000012336335 563365955 /nfs/dbraw/zinc/36/59/55/563365955.db2.gz IXYPSNVGRZGGDR-UHFFFAOYSA-N 0 0 315.225 4.222 50 0 DIAARN COc1ccc(NC(=S)NCc2ccc(C)cc2)cc1Cl ZINC000013935155 563392551 /nfs/dbraw/zinc/39/25/51/563392551.db2.gz GXPNNXUFZDSHSU-UHFFFAOYSA-N 0 0 320.845 4.144 50 0 DIAARN C[C@@H]1CCN(C(=O)NC2CCCCC2)c2ccccc2S1 ZINC000014122761 563395971 /nfs/dbraw/zinc/39/59/71/563395971.db2.gz TZOXGXRUXIIGQJ-CYBMUJFWSA-N 0 0 304.459 4.420 50 0 DIAARN COCC1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)CC1 ZINC000072281319 563433296 /nfs/dbraw/zinc/43/32/96/563433296.db2.gz SHKGCSHXHCXHOG-ZDUSSCGKSA-N 0 0 322.474 4.001 50 0 DIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)OCC(F)(F)F ZINC000032628788 563443485 /nfs/dbraw/zinc/44/34/85/563443485.db2.gz OBNMNBJRTVGYPL-UHFFFAOYSA-N 0 0 321.604 4.470 50 0 DIAARN Oc1ccc(Cn2c3ccccc3nc2-c2ccc(O)cc2)cc1 ZINC000000210926 560177725 /nfs/dbraw/zinc/17/77/25/560177725.db2.gz UCPIAPAZIWRDBJ-UHFFFAOYSA-N 0 0 316.360 4.163 50 0 in-vitro DIAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1F ZINC000000041380 563211506 /nfs/dbraw/zinc/21/15/06/563211506.db2.gz AOJMWCGLKUYAFE-PRHODGIISA-N 0 0 302.176 4.355 50 0 DIAARN Fc1ccc(N2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000000039210 563211571 /nfs/dbraw/zinc/21/15/71/563211571.db2.gz LUYNRRWMVKSISV-UHFFFAOYSA-N 0 0 305.765 4.016 50 0 DIAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000028507 563211181 /nfs/dbraw/zinc/21/11/81/563211181.db2.gz LEKJITNJZUTXDG-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccn1 ZINC000000030156 563211203 /nfs/dbraw/zinc/21/12/03/563211203.db2.gz IXRYHAUZWTWJBL-UHFFFAOYSA-N 0 0 302.377 4.242 50 0 DIAARN CCOc1ccccc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000000035570 563211222 /nfs/dbraw/zinc/21/12/22/563211222.db2.gz PESBCLRIMLYFHC-UHFFFAOYSA-N 0 0 312.394 4.256 50 0 DIAARN C[C@@H]1C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(Cl)cc1 ZINC000000034998 563211232 /nfs/dbraw/zinc/21/12/32/563211232.db2.gz LTOSZYPQROLCCO-SMDDNHRTSA-N 0 0 306.789 4.094 50 0 DIAARN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000000037784 563211294 /nfs/dbraw/zinc/21/12/94/563211294.db2.gz BDOAGLLGUXDPOS-UHFFFAOYSA-N 0 0 320.392 4.018 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000038952 563211494 /nfs/dbraw/zinc/21/14/94/563211494.db2.gz WHSPCPLIGZAUEW-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000000045981 563211735 /nfs/dbraw/zinc/21/17/35/563211735.db2.gz BHXSNAVDSSUHDX-XCVCLJGOSA-N 0 0 320.161 4.240 50 0 DIAARN COc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1 ZINC000000051058 563211855 /nfs/dbraw/zinc/21/18/55/563211855.db2.gz AHRKSYJJWYQHEX-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1 ZINC000000051558 563211971 /nfs/dbraw/zinc/21/19/71/563211971.db2.gz RIRAHWOZEDNSEZ-UHFFFAOYSA-N 0 0 305.333 4.071 50 0 DIAARN CC1=CC(C)(C)N([C@H](O)C(Cl)(Cl)Cl)c2ccccc21 ZINC000000055073 563212026 /nfs/dbraw/zinc/21/20/26/563212026.db2.gz YMLNQLYJTIAVAD-GFCCVEGCSA-N 0 0 320.647 4.377 50 0 DIAARN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)c1ccco1 ZINC000000053211 563212042 /nfs/dbraw/zinc/21/20/42/563212042.db2.gz HIWSNFYJIAPVHH-UHFFFAOYSA-N 0 0 308.120 4.354 50 0 DIAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccn1 ZINC000000060976 563212164 /nfs/dbraw/zinc/21/21/64/563212164.db2.gz PJJLBJNMRGXRIB-UHFFFAOYSA-N 0 0 316.360 4.348 50 0 DIAARN CN(C)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000000060773 563212181 /nfs/dbraw/zinc/21/21/81/563212181.db2.gz GOLNEBOLKUJFPT-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN COc1cc(OC)c2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000058158 563212243 /nfs/dbraw/zinc/21/22/43/563212243.db2.gz NHBKLDBTZIZBMJ-UHFFFAOYSA-N 0 0 316.740 4.131 50 0 DIAARN CN(C)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000060769 563212248 /nfs/dbraw/zinc/21/22/48/563212248.db2.gz NADJORZTHIJPDL-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN COc1ccc(-c2c(C)c3cc(C)ccc3oc2=O)cc1OC ZINC000000057807 563212260 /nfs/dbraw/zinc/21/22/60/563212260.db2.gz FPYKPEWTFBEKJJ-UHFFFAOYSA-N 0 0 310.349 4.094 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000063101 563212580 /nfs/dbraw/zinc/21/25/80/563212580.db2.gz CSRFKIZVTIGBKU-MRXNPFEDSA-N 0 0 303.814 4.427 50 0 DIAARN c1csc(-c2ccn(-c3nc(-c4ccccc4)ns3)n2)c1 ZINC000000066439 563212780 /nfs/dbraw/zinc/21/27/80/563212780.db2.gz UZKFGROFGOQFOF-UHFFFAOYSA-N 0 0 310.407 4.119 50 0 DIAARN COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 ZINC000000068970 563212813 /nfs/dbraw/zinc/21/28/13/563212813.db2.gz LAWHQKWXLDYDFH-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN CCOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000067333 563212826 /nfs/dbraw/zinc/21/28/26/563212826.db2.gz FKLYNWKQFIKJCQ-UHFFFAOYSA-N 0 0 300.141 4.134 50 0 in-vitro DIAARN CCCc1c(C)nc2scc(-c3ccc(Cl)cc3)n2c1=O ZINC000000072867 563213527 /nfs/dbraw/zinc/21/35/27/563213527.db2.gz BOYJTGRDUVULOV-UHFFFAOYSA-N 0 0 318.829 4.337 50 0 DIAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1Cl ZINC000000070999 563213589 /nfs/dbraw/zinc/21/35/89/563213589.db2.gz LSHFLRQQOZHBNO-NJLIKGMNSA-N 0 0 309.752 4.350 50 0 DIAARN COC(=O)c1c(C)oc2ccc(OCc3cccc(F)c3)cc21 ZINC000000086261 563214456 /nfs/dbraw/zinc/21/44/56/563214456.db2.gz NXVNNCCYTPCGSN-UHFFFAOYSA-N 0 0 314.312 4.246 50 0 DIAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(C)=O)cc1 ZINC000000088692 563215056 /nfs/dbraw/zinc/21/50/56/563215056.db2.gz CHWZWLLLOJMRNQ-FQEVSTJZSA-N 0 0 322.408 4.010 50 0 DIAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C ZINC000000098409 563216254 /nfs/dbraw/zinc/21/62/54/563216254.db2.gz TWBJRHQNCGSISF-UHFFFAOYSA-N 0 0 306.365 4.464 50 0 DIAARN COc1c(Cl)ccc(Cl)c1C(=O)N[C@H](C)c1ccccc1 ZINC000000094895 563216386 /nfs/dbraw/zinc/21/63/86/563216386.db2.gz FJTMGHNVRBMXIP-SNVBAGLBSA-N 0 0 324.207 4.493 50 0 DIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000000101258 563216823 /nfs/dbraw/zinc/21/68/23/563216823.db2.gz YXFVXBOREVXWRU-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Cl ZINC000000099191 563217108 /nfs/dbraw/zinc/21/71/08/563217108.db2.gz HAPRHXIRCWGCIG-UHFFFAOYSA-N 0 0 304.560 4.372 50 0 DIAARN Cc1cc(C)n(-c2nc(C)nc3sc(-c4ccccc4)cc32)n1 ZINC000000102526 563217338 /nfs/dbraw/zinc/21/73/38/563217338.db2.gz VWHMIPJTOPTRBK-UHFFFAOYSA-N 0 0 320.421 4.469 50 0 DIAARN Cc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)c(C)c1 ZINC000000102459 563217499 /nfs/dbraw/zinc/21/74/99/563217499.db2.gz GGLVTLJDBMEKMD-UHFFFAOYSA-N 0 0 301.345 4.257 50 0 DIAARN CC(C)C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000000107819 563218109 /nfs/dbraw/zinc/21/81/09/563218109.db2.gz LJPCTOYHHLNYNJ-UHFFFAOYSA-N 0 0 315.760 4.138 50 0 DIAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccco1 ZINC000000110905 563218558 /nfs/dbraw/zinc/21/85/58/563218558.db2.gz KITYVMPOBQVALD-UHFFFAOYSA-N 0 0 318.785 4.233 50 0 DIAARN CSc1cccc(OC(F)(F)F)c1NC(=O)C(C)(C)C ZINC000000109240 563218566 /nfs/dbraw/zinc/21/85/66/563218566.db2.gz UMTWUHYKPSDIDO-UHFFFAOYSA-N 0 0 307.337 4.292 50 0 DIAARN COc1ccc2[nH]c(C(=O)N(C)c3ccccc3Cl)cc2c1 ZINC000000114534 563219110 /nfs/dbraw/zinc/21/91/10/563219110.db2.gz ORBNDAXLNPPOQY-UHFFFAOYSA-N 0 0 314.772 4.107 50 0 DIAARN Cc1cc(C(=O)Nc2ccccc2)c(C)n1Cc1cccs1 ZINC000000113697 563219267 /nfs/dbraw/zinc/21/92/67/563219267.db2.gz MICKUPVNNWGVFH-UHFFFAOYSA-N 0 0 310.422 4.467 50 0 DIAARN CSc1c2ccccc2n(C)c1CC(=O)Nc1ccc(C)cc1 ZINC000000119767 563219858 /nfs/dbraw/zinc/21/98/58/563219858.db2.gz XETWQGUICWHLEZ-UHFFFAOYSA-N 0 0 324.449 4.390 50 0 DIAARN CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000000121880 563220558 /nfs/dbraw/zinc/22/05/58/563220558.db2.gz LPIXRQSYBTUXOQ-UHFFFAOYSA-N 0 0 315.316 4.314 50 0 DIAARN Cn1c(SCc2ccccc2)nc2cc(C(F)(F)F)cnc21 ZINC000000123213 563220572 /nfs/dbraw/zinc/22/05/72/563220572.db2.gz DPVFVFJTYYWIDJ-UHFFFAOYSA-N 0 0 323.343 4.279 50 0 DIAARN Cc1ccc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 ZINC000000121323 563220651 /nfs/dbraw/zinc/22/06/51/563220651.db2.gz VGMPHWJTRJQVEX-UHFFFAOYSA-N 0 0 323.436 4.490 50 0 DIAARN CC(=O)c1c(C)nc(-c2ccc(Cl)cc2Cl)[nH]c1=S ZINC000000124191 563220986 /nfs/dbraw/zinc/22/09/86/563220986.db2.gz WIQRWEIKKKQGBG-UHFFFAOYSA-N 0 0 313.209 4.250 50 0 DIAARN CCCn1c(Cc2ccc(Cl)c(Cl)c2)n[nH]c1=S ZINC000000128090 563221247 /nfs/dbraw/zinc/22/12/47/563221247.db2.gz ZDBXYIAYJIOLDG-UHFFFAOYSA-N 0 0 302.230 4.248 50 0 DIAARN CC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccccc3)c21 ZINC000000132310 563221557 /nfs/dbraw/zinc/22/15/57/563221557.db2.gz BPWUVGXDPCSIBO-LLVKDONJSA-N 0 0 314.435 4.428 50 0 DIAARN C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000000133645 563222191 /nfs/dbraw/zinc/22/21/91/563222191.db2.gz GUIRAYYSKSYDHY-OAHLLOKOSA-N 0 0 311.425 4.240 50 0 DIAARN C[C@H]1CCCC[C@H]1Nc1ncnc2ccc(Br)cc21 ZINC000000140122 563222628 /nfs/dbraw/zinc/22/26/28/563222628.db2.gz ZFIWOVALGLWODT-GXFFZTMASA-N 0 0 320.234 4.383 50 0 DIAARN Cc1noc(C)c1CSc1ncnc2sc3c(c21)CCC3 ZINC000000137152 563222854 /nfs/dbraw/zinc/22/28/54/563222854.db2.gz AYHMAAKDWBZPQS-UHFFFAOYSA-N 0 0 317.439 4.077 50 0 DIAARN CCOc1ccccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000000145603 563223977 /nfs/dbraw/zinc/22/39/77/563223977.db2.gz JRZOJFNIRFZSQK-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN O=C(NCc1ccco1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000146736 563224080 /nfs/dbraw/zinc/22/40/80/563224080.db2.gz JCUZXKVXTXUHCS-UHFFFAOYSA-N 0 0 322.364 4.180 50 0 DIAARN COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccccc1 ZINC000000145306 563224099 /nfs/dbraw/zinc/22/40/99/563224099.db2.gz YFNRGBLVDLALFV-CMDGGOBGSA-N 0 0 301.773 4.309 50 0 DIAARN Cc1ccc2c(c1)C(=O)C[C@H](c1ccc(Br)cc1)O2 ZINC000000148633 563224623 /nfs/dbraw/zinc/22/46/23/563224623.db2.gz UOPFUPABVMSJMO-MRXNPFEDSA-N 0 0 317.182 4.464 50 0 DIAARN Cn1nc(C(C)(C)C)c(NC(=O)c2cccs2)c1C(C)(C)C ZINC000000147233 563224663 /nfs/dbraw/zinc/22/46/63/563224663.db2.gz MNMCBHZCZCHXCZ-UHFFFAOYSA-N 0 0 319.474 4.329 50 0 DIAARN COc1ccc(OC(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000000150735 563225064 /nfs/dbraw/zinc/22/50/64/563225064.db2.gz SSSPUHLGQAJJHL-UHFFFAOYSA-N 0 0 321.332 4.102 50 0 DIAARN Cc1ccc(Sc2c(CO)c(-c3ccccc3)nn2C)cc1 ZINC000000168660 563226358 /nfs/dbraw/zinc/22/63/58/563226358.db2.gz BALJAALTXMAPOH-UHFFFAOYSA-N 0 0 310.422 4.039 50 0 DIAARN CC(C)COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000000168263 563226460 /nfs/dbraw/zinc/22/64/60/563226460.db2.gz HQOKLNSAGKMNMX-HNNXBMFYSA-N 0 0 309.409 4.313 50 0 DIAARN Cc1c(C)c(Br)cc(C(=O)N2CCCCC2)c1C ZINC000000167619 563226489 /nfs/dbraw/zinc/22/64/89/563226489.db2.gz AGPSCLFMHAUYFN-UHFFFAOYSA-N 0 0 310.235 4.000 50 0 DIAARN Cc1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000171310 563226822 /nfs/dbraw/zinc/22/68/22/563226822.db2.gz RJVIWVBIHYSUFC-UHFFFAOYSA-N 0 0 311.694 4.377 50 0 DIAARN CC(C)(C)c1ccc(C(=O)OCc2ccc3c(c2)OCO3)s1 ZINC000000171690 563227217 /nfs/dbraw/zinc/22/72/17/563227217.db2.gz YKOREFRXTRJRGO-UHFFFAOYSA-N 0 0 318.394 4.131 50 0 DIAARN CC(=O)Nc1cc(-c2sc3ccc(Cl)cc3c2C)[nH]n1 ZINC000000172402 563227518 /nfs/dbraw/zinc/22/75/18/563227518.db2.gz MQZNXXUGSIEUAS-UHFFFAOYSA-N 0 0 305.790 4.212 50 0 DIAARN S=C(Nc1ccc(C2CCCCC2)cc1)N1CCSCC1 ZINC000000172814 563227612 /nfs/dbraw/zinc/22/76/12/563227612.db2.gz BBKSTEBVWZWJEH-UHFFFAOYSA-N 0 0 320.527 4.480 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000000174131 563227896 /nfs/dbraw/zinc/22/78/96/563227896.db2.gz XOPODGOYZBLQPJ-LLVKDONJSA-N 0 0 318.467 4.388 50 0 DIAARN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000000174133 563227929 /nfs/dbraw/zinc/22/79/29/563227929.db2.gz XOPODGOYZBLQPJ-NSHDSACASA-N 0 0 318.467 4.388 50 0 DIAARN CSc1nsc(SC)c1NC(=O)OC1CCCCC1 ZINC000000180360 563228427 /nfs/dbraw/zinc/22/84/27/563228427.db2.gz ZDAXBGSTCIHOHL-UHFFFAOYSA-N 0 0 318.489 4.468 50 0 DIAARN CSc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000000179534 563228433 /nfs/dbraw/zinc/22/84/33/563228433.db2.gz JHMYSVQWTZMPJZ-UHFFFAOYSA-N 0 0 318.829 4.491 50 0 DIAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccco1 ZINC000000181517 563228442 /nfs/dbraw/zinc/22/84/42/563228442.db2.gz MECWWAXYJSIBLW-UHFFFAOYSA-N 0 0 319.320 4.044 50 0 DIAARN CCOC(=O)c1c(C)n(-c2ccccc2)nc1-c1ccccc1 ZINC000000186274 563229126 /nfs/dbraw/zinc/22/91/26/563229126.db2.gz VCPCQJHHHVITQW-UHFFFAOYSA-N 0 0 306.365 4.024 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1 ZINC000000190836 563229165 /nfs/dbraw/zinc/22/91/65/563229165.db2.gz LPFPTOINTRTVAY-ZSOIEALJSA-N 0 0 318.159 4.338 50 0 DIAARN Brc1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000000192361 563229807 /nfs/dbraw/zinc/22/98/07/563229807.db2.gz ZRPAZLXMPZUEMQ-UHFFFAOYSA-N 0 0 307.172 4.228 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](C)C1 ZINC000000196253 563229842 /nfs/dbraw/zinc/22/98/42/563229842.db2.gz GJHQTMLCQDWKHH-LLVKDONJSA-N 0 0 318.804 4.176 50 0 DIAARN Clc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 ZINC000000205856 563230234 /nfs/dbraw/zinc/23/02/34/563230234.db2.gz PYZUEWQLYBBSCE-HZPDHXFCSA-N 0 0 310.788 4.078 50 0 DIAARN Cc1ccc2c(c1)[C@H](c1ccccc1Br)CC(=O)N2 ZINC000000203932 563230487 /nfs/dbraw/zinc/23/04/87/563230487.db2.gz MNULPIVQNYUIBP-LBPRGKRZSA-N 0 0 316.198 4.232 50 0 DIAARN O=C(c1ccccc1)[C@H](Sc1ncccn1)c1ccccc1 ZINC000000216320 563230988 /nfs/dbraw/zinc/23/09/88/563230988.db2.gz YNFSWDGZRBVYPD-QGZVFWFLSA-N 0 0 306.390 4.193 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000228472 563231424 /nfs/dbraw/zinc/23/14/24/563231424.db2.gz IONTUKDTVVMKOA-JXMROGBWSA-N 0 0 321.298 4.366 50 0 biogenic DIAARN C[C@H]1C[C@@H](NC(=O)c2ccccc2Br)CC(C)(C)C1 ZINC000000224412 563231458 /nfs/dbraw/zinc/23/14/58/563231458.db2.gz KBONKRUNHZUBQR-NWDGAFQWSA-N 0 0 324.262 4.394 50 0 DIAARN Cc1nc2ccccc2n1Cc1ccccc1Br ZINC000000233371 563232066 /nfs/dbraw/zinc/23/20/66/563232066.db2.gz QBORKFJJAKFLCW-UHFFFAOYSA-N 0 0 301.187 4.156 50 0 DIAARN O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC000000244843 563232850 /nfs/dbraw/zinc/23/28/50/563232850.db2.gz RHFVTQPDVWYIFU-UHFFFAOYSA-N 0 0 324.723 4.163 50 0 DIAARN C[C@H](CC(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 ZINC000000249748 563233586 /nfs/dbraw/zinc/23/35/86/563233586.db2.gz SQYQVPKVHQHXLJ-GFCCVEGCSA-N 0 0 300.427 4.154 50 0 DIAARN Cc1ccc(C(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1 ZINC000000278732 563235535 /nfs/dbraw/zinc/23/55/35/563235535.db2.gz LTCIMSFPRHLTQY-UHFFFAOYSA-N 0 0 310.422 4.343 50 0 DIAARN Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1C ZINC000000298939 563237180 /nfs/dbraw/zinc/23/71/80/563237180.db2.gz VUHDKBNHFZGKSW-UHFFFAOYSA-N 0 0 315.442 4.455 50 0 DIAARN CCOC(=O)c1ccc(P(=O)(C(C)(C)C)C(C)(C)C)cc1 ZINC000000301436 563237728 /nfs/dbraw/zinc/23/77/28/563237728.db2.gz UCZWRLVTIFFJAA-UHFFFAOYSA-N 0 0 310.374 4.449 50 0 DIAARN Cc1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2nc1C ZINC000000303246 563237870 /nfs/dbraw/zinc/23/78/70/563237870.db2.gz ZFUILIQLIYBTIM-UHFFFAOYSA-N 0 0 310.332 4.030 50 0 DIAARN COc1ccc(C)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000000303503 563237932 /nfs/dbraw/zinc/23/79/32/563237932.db2.gz CWQWHHQGCMJVDX-UHFFFAOYSA-N 0 0 313.397 4.145 50 0 DIAARN Cc1c(C=O)c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000000306924 563238499 /nfs/dbraw/zinc/23/84/99/563238499.db2.gz JVGBSCFRLMBZRT-UHFFFAOYSA-N 0 0 313.784 4.495 50 0 DIAARN Cc1ccc(NC(=O)c2cccc(Br)c2)cc1C ZINC000000306799 563238569 /nfs/dbraw/zinc/23/85/69/563238569.db2.gz RXKRCHYYNMLMGK-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCc1cc(=O)oc2c(C)c(OCc3ccccc3OC)ccc12 ZINC000000307871 563238936 /nfs/dbraw/zinc/23/89/36/563238936.db2.gz VNVVKTDYOUYTTC-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN C[C@H](O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000000317584 563240706 /nfs/dbraw/zinc/24/07/06/563240706.db2.gz FVAWNWUGOCBOSE-JTQLQIEISA-N 0 0 321.207 4.445 50 0 DIAARN CCOc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000318214 563240802 /nfs/dbraw/zinc/24/08/02/563240802.db2.gz KVJPVXANYPKHKD-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000000317490 563240835 /nfs/dbraw/zinc/24/08/35/563240835.db2.gz DYWVOWKFYKXNNP-UHFFFAOYSA-N 0 0 320.392 4.018 50 0 DIAARN CCc1cc(=O)oc2c(C)c(OCc3cccc(F)c3)ccc12 ZINC000000317249 563240891 /nfs/dbraw/zinc/24/08/91/563240891.db2.gz YPJUTLXWANRVTC-UHFFFAOYSA-N 0 0 312.340 4.382 50 0 DIAARN COc1ccc(C(=O)Nc2cccc(C)c2)cc1Br ZINC000000318688 563240926 /nfs/dbraw/zinc/24/09/26/563240926.db2.gz XAAUNXMEWCYAOJ-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN Cc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1C ZINC000000328728 563241421 /nfs/dbraw/zinc/24/14/21/563241421.db2.gz PJXJNMMKDQXZPY-UHFFFAOYSA-N 0 0 312.438 4.047 50 0 DIAARN O=C(OCC(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000000336678 563241966 /nfs/dbraw/zinc/24/19/66/563241966.db2.gz YPYRGOOKOJLMKN-UHFFFAOYSA-N 0 0 314.724 4.126 50 0 DIAARN Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CCCCC3 ZINC000000341196 563242070 /nfs/dbraw/zinc/24/20/70/563242070.db2.gz BMSBSFRMEHQEPP-UHFFFAOYSA-N 0 0 311.406 4.494 50 0 DIAARN CC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3)n2)OC1=O ZINC000000345960 563242605 /nfs/dbraw/zinc/24/26/05/563242605.db2.gz SWTBNNNBHYZFID-BDJLRTHQSA-N 0 0 302.399 4.075 50 0 DIAARN COc1cccc(OC)c1C(=O)Oc1ccc2ccccc2c1 ZINC000000344584 563242668 /nfs/dbraw/zinc/24/26/68/563242668.db2.gz ARXDODIZXJNDFH-UHFFFAOYSA-N 0 0 308.333 4.076 50 0 DIAARN ClC1(CNc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000000347516 563242678 /nfs/dbraw/zinc/24/26/78/563242678.db2.gz JCHPURCMHDZKSA-UHFFFAOYSA-N 0 0 314.860 4.372 50 0 DIAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C1CC1 ZINC000000348358 563243099 /nfs/dbraw/zinc/24/30/99/563243099.db2.gz YBOIVWBDZVQDFG-UHFFFAOYSA-N 0 0 321.423 4.002 50 0 DIAARN COc1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1 ZINC000000350230 563243355 /nfs/dbraw/zinc/24/33/55/563243355.db2.gz JLKSRLWXOIXKNK-UHFFFAOYSA-N 0 0 319.364 4.239 50 0 DIAARN O=C(Nc1ccccc1)C1(OC(=O)c2ccccc2)CCCCC1 ZINC000000349586 563243387 /nfs/dbraw/zinc/24/33/87/563243387.db2.gz YHBBRQBBCDHTRK-UHFFFAOYSA-N 0 0 323.392 4.185 50 0 DIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3o2)c(C)c1 ZINC000000358440 563244261 /nfs/dbraw/zinc/24/42/61/563244261.db2.gz FROKTRSHKDTULU-UHFFFAOYSA-N 0 0 312.394 4.175 50 0 DIAARN O=C(Oc1ccc(Br)cc1Cl)c1cccs1 ZINC000000358977 563244368 /nfs/dbraw/zinc/24/43/68/563244368.db2.gz OZKKQNSZALUBCI-UHFFFAOYSA-N 0 0 317.591 4.383 50 0 DIAARN Cc1cccc(C)c1OCC(=O)Nc1cccc2ccccc21 ZINC000000361897 563244773 /nfs/dbraw/zinc/24/47/73/563244773.db2.gz WLSQPYIVFSLLJL-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN CCOC(=O)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000000362291 563244892 /nfs/dbraw/zinc/24/48/92/563244892.db2.gz ZJQLWSCBBATMQT-UHFFFAOYSA-N 0 0 319.360 4.269 50 0 DIAARN O=S(=O)(NCCC1=CCCCC1)c1ccc2ccccc2c1 ZINC000000364240 563245477 /nfs/dbraw/zinc/24/54/77/563245477.db2.gz BXDPZDWAEVXOOW-UHFFFAOYSA-N 0 0 315.438 4.009 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc3cccnc32)c(C)c1 ZINC000000364847 563245801 /nfs/dbraw/zinc/24/58/01/563245801.db2.gz HEZCTCKMWQGMON-HNNXBMFYSA-N 0 0 320.392 4.258 50 0 DIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1Cl ZINC000000364953 563245858 /nfs/dbraw/zinc/24/58/58/563245858.db2.gz HTKASQKWXIABBI-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c(C)c1 ZINC000000364866 563245997 /nfs/dbraw/zinc/24/59/97/563245997.db2.gz AWPBZBLYMAMSGP-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000364827 563246089 /nfs/dbraw/zinc/24/60/89/563246089.db2.gz PQTSTSUAQFKNGZ-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CCC(CC)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000000367854 563246530 /nfs/dbraw/zinc/24/65/30/563246530.db2.gz ZORORVOVHNIZCV-UHFFFAOYSA-N 0 0 316.426 4.375 50 0 DIAARN CCOc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000000376250 563247157 /nfs/dbraw/zinc/24/71/57/563247157.db2.gz VZTAEWASMXXJAR-IZZDOVSWSA-N 0 0 301.773 4.391 50 0 DIAARN COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)c(OC)c1 ZINC000000376221 563247172 /nfs/dbraw/zinc/24/71/72/563247172.db2.gz NTLUEZJJRQKRTI-UHFFFAOYSA-N 0 0 313.397 4.388 50 0 DIAARN CCOc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000000380039 563247769 /nfs/dbraw/zinc/24/77/69/563247769.db2.gz HMGYDFMTMUDXQY-AWEZNQCLSA-N 0 0 315.438 4.346 50 0 DIAARN COc1ccc2c(c1)C(=O)N(Cc1ccccc1)[C@@H]1CCCC[C@H]21 ZINC000000384452 563248275 /nfs/dbraw/zinc/24/82/75/563248275.db2.gz MNMAEQVSXROYEC-UYAOXDASSA-N 0 0 321.420 4.377 50 0 DIAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2ccccc2c1 ZINC000000383452 563248382 /nfs/dbraw/zinc/24/83/82/563248382.db2.gz QHNFZAVGWCPJBY-UHFFFAOYSA-N 0 0 317.797 4.294 50 0 DIAARN Cc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1C ZINC000000385149 563248705 /nfs/dbraw/zinc/24/87/05/563248705.db2.gz OQQLSIARHXNCBX-UHFFFAOYSA-N 0 0 313.159 4.397 50 0 DIAARN Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000385922 563248812 /nfs/dbraw/zinc/24/88/12/563248812.db2.gz OWRCFNXPMWUZJR-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN Cc1cc(C)c(-c2no[n+]([O-])c2-c2c(C)cc(C)cc2C)c(C)c1 ZINC000000392549 563250019 /nfs/dbraw/zinc/25/00/19/563250019.db2.gz WMWQAOKEYNLOLA-UHFFFAOYSA-N 0 0 322.408 4.493 50 0 DIAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2)c(OC)c1 ZINC000000398806 563250470 /nfs/dbraw/zinc/25/04/70/563250470.db2.gz XVSHXHHJJMGSNQ-UHFFFAOYSA-N 0 0 306.749 4.001 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000397562 563250538 /nfs/dbraw/zinc/25/05/38/563250538.db2.gz MQWQJQSAICDXQF-UHFFFAOYSA-N 0 0 321.174 4.102 50 0 DIAARN O=C(NCCc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000000398072 563250554 /nfs/dbraw/zinc/25/05/54/563250554.db2.gz ZQGLXCDBQIZNLJ-UHFFFAOYSA-N 0 0 309.196 4.358 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(OC)cc2Cl)cc1 ZINC000000398808 563250608 /nfs/dbraw/zinc/25/06/08/563250608.db2.gz JTBVSVZPOVFOEP-UHFFFAOYSA-N 0 0 306.749 4.001 50 0 DIAARN COc1ccc(C)cc1NC(=O)Oc1cccc2cccnc21 ZINC000000396566 563250655 /nfs/dbraw/zinc/25/06/55/563250655.db2.gz ZMQFXFRMVFXXQT-UHFFFAOYSA-N 0 0 308.337 4.163 50 0 DIAARN CCN(CC)c1ccc(NC(=O)Nc2ccccc2OC)cc1 ZINC000000401505 563250895 /nfs/dbraw/zinc/25/08/95/563250895.db2.gz HAQOTUDNWKIDLT-UHFFFAOYSA-N 0 0 313.401 4.185 50 0 DIAARN CSc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000000399724 563250903 /nfs/dbraw/zinc/25/09/03/563250903.db2.gz ZOYFYLLESAKYJH-UHFFFAOYSA-N 0 0 301.415 4.119 50 0 DIAARN COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000402133 563251736 /nfs/dbraw/zinc/25/17/36/563251736.db2.gz CUJILXRXQRTCQZ-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN COc1ccc2c(c1)N[C@@]1(C)CCC3(SCCS3)[C@@]21C ZINC000000402399 563251776 /nfs/dbraw/zinc/25/17/76/563251776.db2.gz VXBBLKRRLJYDGU-GJZGRUSLSA-N 0 0 307.484 4.107 50 0 DIAARN Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 ZINC000000404899 563251797 /nfs/dbraw/zinc/25/17/97/563251797.db2.gz URZRSRXYIVLZJO-UHFFFAOYSA-N 0 0 314.435 4.336 50 0 DIAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000000407518 563251829 /nfs/dbraw/zinc/25/18/29/563251829.db2.gz VWQQRQILQZIOEZ-UHFFFAOYSA-N 0 0 315.372 4.478 50 0 DIAARN CCOc1ccccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000000434106 563253217 /nfs/dbraw/zinc/25/32/17/563253217.db2.gz UQTKRYNQEBSMJE-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN Cc1ccc(C(NC(=O)C(F)(F)F)c2ccc(C)cc2)cc1 ZINC000000437821 563253912 /nfs/dbraw/zinc/25/39/12/563253912.db2.gz RMNYQMAPEYWCBG-UHFFFAOYSA-N 0 0 307.315 4.071 50 0 DIAARN COc1ccccc1C(=O)Nc1ccc(Br)cc1C ZINC000000441197 563253975 /nfs/dbraw/zinc/25/39/75/563253975.db2.gz QXTBHPICDKYFON-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN O=C(/C=C/c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000443226 563254272 /nfs/dbraw/zinc/25/42/72/563254272.db2.gz AGDBNGDNWYBRAK-RMKNXTFCSA-N 0 0 309.262 4.496 50 0 DIAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000442450 563254384 /nfs/dbraw/zinc/25/43/84/563254384.db2.gz SBKVVGWHTLRCFR-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN O=C(Nc1ccccc1)c1cc(Br)ccc1Cl ZINC000000442146 563254606 /nfs/dbraw/zinc/25/46/06/563254606.db2.gz RJYPMPWKLOFNAR-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000442219 563254671 /nfs/dbraw/zinc/25/46/71/563254671.db2.gz PYPUQTVXKLFBEF-MRXNPFEDSA-N 0 0 303.789 4.445 50 0 DIAARN CC(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 ZINC000000448052 563255437 /nfs/dbraw/zinc/25/54/37/563255437.db2.gz KNHYUQGXTZHCSY-UHFFFAOYSA-N 0 0 307.349 4.067 50 0 DIAARN Cc1cc(Br)cc(C)c1NC(=O)c1cccc(F)c1 ZINC000000450886 563256265 /nfs/dbraw/zinc/25/62/65/563256265.db2.gz HYMGIHPTGLIZIE-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN Cc1cccc(C)c1NC(=S)NC(=O)c1ccccc1Cl ZINC000000452014 563256602 /nfs/dbraw/zinc/25/66/02/563256602.db2.gz BFMMPPVBNGPNCE-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc(F)c1 ZINC000000453131 563256649 /nfs/dbraw/zinc/25/66/49/563256649.db2.gz MLICLRYVBVKZJN-NSHDSACASA-N 0 0 302.324 4.338 50 0 DIAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccco1 ZINC000000452482 563256775 /nfs/dbraw/zinc/25/67/75/563256775.db2.gz DGYAXINEWHFMHW-UHFFFAOYSA-N 0 0 304.777 4.176 50 0 DIAARN Cc1ccc(C)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 ZINC000000452846 563256805 /nfs/dbraw/zinc/25/68/05/563256805.db2.gz GEHFJRXMYPGXGJ-UHFFFAOYSA-N 0 0 324.405 4.176 50 0 DIAARN COc1ccc(C)cc1NC(=O)CCSc1ccccc1 ZINC000000452603 563256855 /nfs/dbraw/zinc/25/68/55/563256855.db2.gz RBINVBRHFAMQPE-UHFFFAOYSA-N 0 0 301.411 4.125 50 0 DIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc(F)cc1 ZINC000000453158 563256899 /nfs/dbraw/zinc/25/68/99/563256899.db2.gz POSFDFYOEQXEDH-NSHDSACASA-N 0 0 302.324 4.338 50 0 DIAARN Cc1cc(NC(=O)Cc2cccs2)ccc1Br ZINC000000457252 563257832 /nfs/dbraw/zinc/25/78/32/563257832.db2.gz PUYIHHZMKLJCCU-UHFFFAOYSA-N 0 0 310.216 4.000 50 0 DIAARN CCOc1ccccc1NC(=O)c1ccc(SC)cc1OC ZINC000000456063 563257947 /nfs/dbraw/zinc/25/79/47/563257947.db2.gz NEAIOLIVAFOPKF-UHFFFAOYSA-N 0 0 317.410 4.068 50 0 DIAARN O=c1ccc2ccc(OCc3cccc(C(F)(F)F)c3)cc2o1 ZINC000000466000 563259455 /nfs/dbraw/zinc/25/94/55/563259455.db2.gz LBAPKNOUCQCFNA-UHFFFAOYSA-N 0 0 320.266 4.391 50 0 DIAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000000464736 563259509 /nfs/dbraw/zinc/25/95/09/563259509.db2.gz XEYVZRCDKQNAPT-OAHLLOKOSA-N 0 0 313.397 4.108 50 0 DIAARN CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000000465048 563259715 /nfs/dbraw/zinc/25/97/15/563259715.db2.gz NKFGRIBPQTWVQO-HNNXBMFYSA-N 0 0 313.397 4.108 50 0 DIAARN O=C(Nc1nccs1)c1sc2cccc(F)c2c1Cl ZINC000000471156 563260622 /nfs/dbraw/zinc/26/06/22/563260622.db2.gz MUZGZWFAXVKLKF-UHFFFAOYSA-N 0 0 312.778 4.403 50 0 DIAARN COc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 ZINC000000470746 563260625 /nfs/dbraw/zinc/26/06/25/563260625.db2.gz OKZORYPZNPUSSK-UHFFFAOYSA-N 0 0 301.411 4.125 50 0 DIAARN CSc1c(C)cccc1OCC(=O)Nc1ccc(C)cc1C ZINC000000471554 563260628 /nfs/dbraw/zinc/26/06/28/563260628.db2.gz ZFOCLAFCBASWBY-UHFFFAOYSA-N 0 0 315.438 4.351 50 0 DIAARN O=C(/C=C/c1c(F)cccc1Cl)N1CCc2ccccc2C1 ZINC000000473269 563261183 /nfs/dbraw/zinc/26/11/83/563261183.db2.gz HMEJDUDIQGBHEB-CMDGGOBGSA-N 0 0 315.775 4.077 50 0 DIAARN Cc1cccnc1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000000473372 563261292 /nfs/dbraw/zinc/26/12/92/563261292.db2.gz RHUNTSKVUYGNJI-BQYQJAHWSA-N 0 0 307.180 4.349 50 0 DIAARN CC[C@@H](C)N(C(=O)COc1ccc(Cl)cc1C)[C@H](C)CC ZINC000000474871 563261572 /nfs/dbraw/zinc/26/15/72/563261572.db2.gz LARPJAPYHFCRQG-ZIAGYGMSSA-N 0 0 311.853 4.453 50 0 DIAARN Cc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C ZINC000000475115 563261663 /nfs/dbraw/zinc/26/16/63/563261663.db2.gz KMRWBRKHMJWVEX-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)o1 ZINC000000476729 563262203 /nfs/dbraw/zinc/26/22/03/563262203.db2.gz JTQOSHZPZRADFP-SOFGYWHQSA-N 0 0 320.186 4.311 50 0 DIAARN CC(C)Oc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 ZINC000000477134 563262409 /nfs/dbraw/zinc/26/24/09/563262409.db2.gz QGQCFUXQFCEDNG-UHFFFAOYSA-N 0 0 309.365 4.150 50 0 DIAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2 ZINC000000484320 563262843 /nfs/dbraw/zinc/26/28/43/563262843.db2.gz SBKRKKFAPNCECY-UHFFFAOYSA-N 0 0 323.458 4.322 50 0 DIAARN CCC(=O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc21 ZINC000000485807 563262859 /nfs/dbraw/zinc/26/28/59/563262859.db2.gz SJIDCJHSYOPPFW-UHFFFAOYSA-N 0 0 322.360 4.273 50 0 biogenic DIAARN CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000000496916 563263699 /nfs/dbraw/zinc/26/36/99/563263699.db2.gz BMZZWMWWFJLKMD-UHFFFAOYSA-N 0 0 319.788 4.187 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[C@H]1Cc1ccco1 ZINC000000500346 563263729 /nfs/dbraw/zinc/26/37/29/563263729.db2.gz YFLRKXISNOEIDD-LRDDRELGSA-N 0 0 318.804 4.466 50 0 DIAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000000514321 563264349 /nfs/dbraw/zinc/26/43/49/563264349.db2.gz VNDBWXSUIVFDQZ-AWEZNQCLSA-N 0 0 313.397 4.225 50 0 DIAARN Clc1ccccc1[C@H]1C[C@H](c2cccs2)n2ncnc2N1 ZINC000000530485 563264827 /nfs/dbraw/zinc/26/48/27/563264827.db2.gz GMZAUXLFGIMIRB-CHWSQXEVSA-N 0 0 316.817 4.139 50 0 DIAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000000553245 563265984 /nfs/dbraw/zinc/26/59/84/563265984.db2.gz CMSFNGUCDZUPKY-IBGZPJMESA-N 0 0 318.376 4.355 50 0 DIAARN COc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1 ZINC000000558416 563266514 /nfs/dbraw/zinc/26/65/14/563266514.db2.gz ZJSNNXSOORUXJD-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1Cl ZINC000000572330 563267798 /nfs/dbraw/zinc/26/77/98/563267798.db2.gz VTWHSSCOUUDAED-UHFFFAOYSA-N 0 0 319.788 4.388 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000580923 563267966 /nfs/dbraw/zinc/26/79/66/563267966.db2.gz ZGSLLDVFKIWMKH-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN COc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000611056 563268896 /nfs/dbraw/zinc/26/88/96/563268896.db2.gz KRLIGHSNJQZXCT-UHFFFAOYSA-N 0 0 324.302 4.036 50 0 DIAARN CN(c1nc(-c2ccc(F)cc2)cs1)c1ccc(O)cc1 ZINC000000612725 563269488 /nfs/dbraw/zinc/26/94/88/563269488.db2.gz VSVAYKWNDOBZBQ-UHFFFAOYSA-N 0 0 300.358 4.423 50 0 DIAARN Fc1cccc(COc2ccc(C(=S)N3CCCC3)cc2)c1 ZINC000000615594 563269949 /nfs/dbraw/zinc/26/99/49/563269949.db2.gz LEWVTZZOYBRJKN-UHFFFAOYSA-N 0 0 315.413 4.176 50 0 DIAARN Cc1ccc(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000000616602 563270115 /nfs/dbraw/zinc/27/01/15/563270115.db2.gz DUWDZMRTNWHZFL-UHFFFAOYSA-N 0 0 304.802 4.357 50 0 DIAARN COc1ccc(CC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000000615443 563270148 /nfs/dbraw/zinc/27/01/48/563270148.db2.gz MVKYOLZBOLVKTI-OAQYLSRUSA-N 0 0 323.436 4.285 50 0 DIAARN CCC(CC)c1nnc(NC(=O)CCc2ccccc2)s1 ZINC000000617264 563270196 /nfs/dbraw/zinc/27/01/96/563270196.db2.gz ZPLREMFNHCCJNA-UHFFFAOYSA-N 0 0 303.431 4.013 50 0 DIAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000615548 563270201 /nfs/dbraw/zinc/27/02/01/563270201.db2.gz GDXLZEGUGVQFFH-UHFFFAOYSA-N 0 0 323.314 4.340 50 0 DIAARN CCc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000730812 563271034 /nfs/dbraw/zinc/27/10/34/563271034.db2.gz ZGYGVWXBZCXRJM-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN O=C(Nc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 ZINC000000619477 563271144 /nfs/dbraw/zinc/27/11/44/563271144.db2.gz LYKIKZBLVLDHEK-UHFFFAOYSA-N 0 0 314.732 4.034 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000000619248 563271152 /nfs/dbraw/zinc/27/11/52/563271152.db2.gz QUJPAIQVMPUCAC-UHFFFAOYSA-N 0 0 313.382 4.257 50 0 DIAARN COc1ccc(NC(=S)Nc2ccc(F)cc2F)c(C)c1 ZINC000000621458 563271178 /nfs/dbraw/zinc/27/11/78/563271178.db2.gz UUDVEZQWVWKFHZ-UHFFFAOYSA-N 0 0 308.353 4.091 50 0 DIAARN O=Cc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(F)cc1 ZINC000000732179 563271944 /nfs/dbraw/zinc/27/19/44/563271944.db2.gz ZHPVXVIGYMGFAI-UHFFFAOYSA-N 0 0 318.710 4.283 50 0 DIAARN Cc1ccc(-c2cc3nc(C)c(-c4ccccc4)c(N)n3n2)cc1 ZINC000000805283 563271974 /nfs/dbraw/zinc/27/19/74/563271974.db2.gz DYDFETHJMZBLMR-UHFFFAOYSA-N 0 0 314.392 4.262 50 0 DIAARN COc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C=O)cc1 ZINC000000732162 563271985 /nfs/dbraw/zinc/27/19/85/563271985.db2.gz NTBYMFYGYKKYLM-UHFFFAOYSA-N 0 0 312.756 4.014 50 0 DIAARN Cc1cc(C)n(C(=O)COc2ccc(Oc3ccccc3)cc2)n1 ZINC000000845370 563272541 /nfs/dbraw/zinc/27/25/41/563272541.db2.gz YGSJQYGNTFRLFR-UHFFFAOYSA-N 0 0 322.364 4.011 50 0 DIAARN CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000001006460 563274608 /nfs/dbraw/zinc/27/46/08/563274608.db2.gz JEPJJTWGZBNJPF-QGZVFWFLSA-N 0 0 309.453 4.348 50 0 DIAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000001010617 563274696 /nfs/dbraw/zinc/27/46/96/563274696.db2.gz KKLFDIPUONJINZ-UHFFFAOYSA-N 0 0 323.314 4.340 50 0 DIAARN O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011375 563274763 /nfs/dbraw/zinc/27/47/63/563274763.db2.gz ZAHGPYDHKRVXMS-JYRVWZFOSA-N 0 0 319.382 4.124 50 0 DIAARN CCOc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ZINC000001016978 563274765 /nfs/dbraw/zinc/27/47/65/563274765.db2.gz SLARLWAZZWQLKB-UHFFFAOYSA-N 0 0 321.170 4.067 50 0 DIAARN CC(C)(C)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001036319 563274923 /nfs/dbraw/zinc/27/49/23/563274923.db2.gz OLDNXCFCXIJFCN-UHFFFAOYSA-N 0 0 310.772 4.444 50 0 DIAARN Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1 ZINC000001054124 563275760 /nfs/dbraw/zinc/27/57/60/563275760.db2.gz HBOBPKDITQEZSG-UHFFFAOYSA-N 0 0 307.444 4.208 50 0 aggregator DIAARN CCSc1nnc(NC(=O)c2csc3ccccc23)s1 ZINC000001054174 563275868 /nfs/dbraw/zinc/27/58/68/563275868.db2.gz VXQQZEROSCIZTR-UHFFFAOYSA-N 0 0 321.452 4.117 50 0 DIAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CC)s2)cc1 ZINC000001052009 563275975 /nfs/dbraw/zinc/27/59/75/563275975.db2.gz SAIFINXGFYFQBZ-GFCCVEGCSA-N 0 0 303.427 4.200 50 0 DIAARN CC(C)CC(=O)Nc1ccc(Cl)cc1NC(=O)CC(C)C ZINC000001063720 563276398 /nfs/dbraw/zinc/27/63/98/563276398.db2.gz KRRBUKDOAITDOV-UHFFFAOYSA-N 0 0 310.825 4.309 50 0 DIAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Br)o2)c1 ZINC000001056062 563276549 /nfs/dbraw/zinc/27/65/49/563276549.db2.gz WQWSRQOIGLOXTM-NSHDSACASA-N 0 0 322.202 4.150 50 0 DIAARN Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccccc1F ZINC000001108312 563277902 /nfs/dbraw/zinc/27/79/02/563277902.db2.gz SQCCZNPYGBSYAT-UHFFFAOYSA-N 0 0 312.171 4.371 50 0 DIAARN O=C(NC(=S)Nc1ccccc1F)c1cccc2ccccc21 ZINC000001175862 563278524 /nfs/dbraw/zinc/27/85/24/563278524.db2.gz XHPMTUKPBZZTEA-UHFFFAOYSA-N 0 0 324.380 4.106 50 0 DIAARN COc1c(C)cccc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000001267222 563281090 /nfs/dbraw/zinc/28/10/90/563281090.db2.gz HMCXNFYPXIDSLY-UHFFFAOYSA-N 0 0 316.357 4.005 50 0 DIAARN Cc1sc(-c2cccs2)nc1OC(=O)c1ccccc1 ZINC000001385751 563281371 /nfs/dbraw/zinc/28/13/71/563281371.db2.gz IICYOMJDFXXGBG-UHFFFAOYSA-N 0 0 301.392 4.399 50 0 DIAARN CCOC(=O)c1cnc2c(OC)cccc2c1Oc1ccccc1 ZINC000001392830 563282203 /nfs/dbraw/zinc/28/22/03/563282203.db2.gz FTVRZRQVJFHSHX-UHFFFAOYSA-N 0 0 323.348 4.212 50 0 DIAARN COC(=O)c1ccccc1SCc1ccccc1SC ZINC000001397950 563282686 /nfs/dbraw/zinc/28/26/86/563282686.db2.gz KKOZKEZHPUEODL-UHFFFAOYSA-N 0 0 304.436 4.487 50 0 DIAARN Nc1nc(Sc2ccccc2)cc(Sc2ccccc2)n1 ZINC000001398318 563282765 /nfs/dbraw/zinc/28/27/65/563282765.db2.gz JMGDYWDCZMKRHC-UHFFFAOYSA-N 0 0 311.435 4.361 50 0 DIAARN COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000001410987 563283496 /nfs/dbraw/zinc/28/34/96/563283496.db2.gz XKJQWVBCSSZOCK-BQYQJAHWSA-N 0 0 319.744 4.175 50 0 DIAARN C[C@@]12CCN(C(=S)Nc3ccccc3)[C@]1(C)Nc1ccccc12 ZINC000001424575 563283557 /nfs/dbraw/zinc/28/35/57/563283557.db2.gz MFHJFBQUTBJMTR-OALUTQOASA-N 0 0 323.465 4.189 50 0 DIAARN COc1ccc(-c2csc(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000001501500 563284773 /nfs/dbraw/zinc/28/47/73/563284773.db2.gz BJQYSQZQACYXFY-UHFFFAOYSA-N 0 0 315.438 4.296 50 0 DIAARN CCCCN(CCCC)C(=O)c1ccc(Br)cc1 ZINC000002742450 563312039 /nfs/dbraw/zinc/31/20/39/563312039.db2.gz WQPWOINOXVZQKN-UHFFFAOYSA-N 0 0 312.251 4.492 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000001640231 563288486 /nfs/dbraw/zinc/28/84/86/563288486.db2.gz BCOHTLSTWGBVBJ-UHFFFAOYSA-N 0 0 312.369 4.288 50 0 DIAARN c1ccc(N2CN(c3ccccc3)CN(c3ccccc3)C2)cc1 ZINC000001699976 563291787 /nfs/dbraw/zinc/29/17/87/563291787.db2.gz VASMRQAVWVVDPA-UHFFFAOYSA-N 0 0 315.420 4.392 50 0 DIAARN CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001732128 563293766 /nfs/dbraw/zinc/29/37/66/563293766.db2.gz FNEXNZUHBCBQTI-UHFFFAOYSA-N 0 0 311.592 4.369 50 0 DIAARN O=C(Nc1ccc(Br)cc1)Nc1ccccc1F ZINC000001752749 563295184 /nfs/dbraw/zinc/29/51/84/563295184.db2.gz WLEZAFHODIIDIF-UHFFFAOYSA-N 0 0 309.138 4.232 50 0 DIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)OCC(F)(F)F ZINC000001753001 563295227 /nfs/dbraw/zinc/29/52/27/563295227.db2.gz VFBPWPPACWLHSL-UHFFFAOYSA-N 0 0 321.604 4.470 50 0 DIAARN C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000001773610 563295535 /nfs/dbraw/zinc/29/55/35/563295535.db2.gz JDEZFNQOUZSGDO-AWEZNQCLSA-N 0 0 317.816 4.376 50 0 DIAARN COc1ccc(OCCCC(=O)Nc2cccc(C)c2C)cc1 ZINC000001778172 563295967 /nfs/dbraw/zinc/29/59/67/563295967.db2.gz FZIVKEDZPMEHGB-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000001807391 563296528 /nfs/dbraw/zinc/29/65/28/563296528.db2.gz UXFYSIOPSIHAJN-UHFFFAOYSA-N 0 0 303.402 4.162 50 0 DIAARN CCO[P@](=O)(NC(C)C)Oc1ccc(SC)c(C)c1 ZINC000002015646 563297482 /nfs/dbraw/zinc/29/74/82/563297482.db2.gz ZCJPOPBZHLUFHF-GOSISDBHSA-N 0 0 303.364 4.238 50 0 endogenous,in-man DIAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OC)OC)cc1 ZINC000002055027 563298797 /nfs/dbraw/zinc/29/87/97/563298797.db2.gz QLRXYBVYQWDRHH-MRXNPFEDSA-N 0 0 321.313 4.292 50 0 DIAARN CCCCCCc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000002056651 563299180 /nfs/dbraw/zinc/29/91/80/563299180.db2.gz MQSDHKAQDHRRTA-UHFFFAOYSA-N 0 0 317.458 4.232 50 0 DIAARN CC(C)(C)C(=O)C[C@@H](C(=O)C(C)(C)C)n1cnc2ccccc21 ZINC000002144022 563300239 /nfs/dbraw/zinc/30/02/39/563300239.db2.gz DBYNYPWDWFPPBZ-HNNXBMFYSA-N 0 0 314.429 4.198 50 0 DIAARN CCCCOc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000002186778 563301342 /nfs/dbraw/zinc/30/13/42/563301342.db2.gz KYAFOIFSMZOCEJ-SAPNQHFASA-N 0 0 321.376 4.210 50 0 DIAARN Cc1ccccc1Cc1nnc2sc(C3CCCCC3)nn12 ZINC000002183296 563301711 /nfs/dbraw/zinc/30/17/11/563301711.db2.gz UBDIRRYEABZWNT-UHFFFAOYSA-N 0 0 312.442 4.133 50 0 DIAARN Cc1nn2c(nc3c(c2NC(C)C)CCC3)c1-c1ccccc1 ZINC000002226885 563302212 /nfs/dbraw/zinc/30/22/12/563302212.db2.gz FTKGGDDYJKDDDL-UHFFFAOYSA-N 0 0 306.413 4.014 50 0 DIAARN Cc1nn2c(nc(C(C)C)cc2N2CCCC2)c1-c1ccccc1 ZINC000002225905 563302245 /nfs/dbraw/zinc/30/22/45/563302245.db2.gz XVHBVZKMMKELKT-UHFFFAOYSA-N 0 0 320.440 4.428 50 0 DIAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3)c2c1 ZINC000002208747 563302302 /nfs/dbraw/zinc/30/23/02/563302302.db2.gz WJVJHYLTJOWINQ-UHFFFAOYSA-N 0 0 312.800 4.102 50 0 biogenic DIAARN CCCCc1cc(=O)oc2cc(O[C@@H]3CCCCC3=O)ccc12 ZINC000002242076 563302465 /nfs/dbraw/zinc/30/24/65/563302465.db2.gz ZKTMHOOXYNEGPG-QGZVFWFLSA-N 0 0 314.381 4.026 50 0 DIAARN Cc1ccc2[nH]cc(CCNC(=O)c3cccc(Cl)c3)c2c1 ZINC000002346043 563302973 /nfs/dbraw/zinc/30/29/73/563302973.db2.gz LNNOKUHATLYDCQ-UHFFFAOYSA-N 0 0 312.800 4.102 50 0 biogenic DIAARN O=C1c2ccccc2N(C(c2ccccc2)c2ccccc2)C1=O ZINC000002356911 563303068 /nfs/dbraw/zinc/30/30/68/563303068.db2.gz ZWWDFMHULDPTEF-UHFFFAOYSA-N 0 0 313.356 4.006 50 0 DIAARN Clc1ccccc1OCCSc1nc2ccccc2[nH]1 ZINC000002502266 563304281 /nfs/dbraw/zinc/30/42/81/563304281.db2.gz BENKXFRXSWPBMR-UHFFFAOYSA-N 0 0 304.802 4.387 50 0 DIAARN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000002485002 563304537 /nfs/dbraw/zinc/30/45/37/563304537.db2.gz YEQIKRNFSPQAIC-AWEZNQCLSA-N 0 0 317.458 4.084 50 0 DIAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCC1 ZINC000002497163 563304542 /nfs/dbraw/zinc/30/45/42/563304542.db2.gz BZHOBAYRMXQRFV-UHFFFAOYSA-N 0 0 316.228 4.211 50 0 DIAARN O=C(c1ccc(CN2CCC2)cc1)c1ccccc1C(F)(F)F ZINC000002514631 563305115 /nfs/dbraw/zinc/30/51/15/563305115.db2.gz DPAZWOXISUPYIY-UHFFFAOYSA-N 0 0 319.326 4.142 50 0 DIAARN O=C(c1cccc(CN2CCC2)c1)c1ccccc1C(F)(F)F ZINC000002515132 563305816 /nfs/dbraw/zinc/30/58/16/563305816.db2.gz NHQILARDKWHDQW-UHFFFAOYSA-N 0 0 319.326 4.142 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCC2)c1 ZINC000002515134 563305974 /nfs/dbraw/zinc/30/59/74/563305974.db2.gz VAQVJVGFJLMPAY-UHFFFAOYSA-N 0 0 319.326 4.142 50 0 DIAARN O=C(c1cccc(CN2CCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515142 563306028 /nfs/dbraw/zinc/30/60/28/563306028.db2.gz MRYKAJVKASFLBB-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN COC(=O)c1scc(-c2ccc(Cl)c(Cl)c2)c1N ZINC000002528729 563307985 /nfs/dbraw/zinc/30/79/85/563307985.db2.gz QMCWIUGXMAKKBX-UHFFFAOYSA-N 0 0 302.182 4.091 50 0 DIAARN CCOP(=O)(Cc1ccc(Br)cc1)OCC ZINC000002547807 563308451 /nfs/dbraw/zinc/30/84/51/563308451.db2.gz IPTXXSZUISGKCJ-UHFFFAOYSA-N 0 0 307.124 4.215 50 0 DIAARN CCOC(=O)CCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002580330 563309899 /nfs/dbraw/zinc/30/98/99/563309899.db2.gz JGOWXRIHZIGXBC-UHFFFAOYSA-N 0 0 302.292 4.012 50 0 DIAARN O=C(CCC1OCCCO1)c1cccc(Oc2ccccc2)c1 ZINC000002581243 563310658 /nfs/dbraw/zinc/31/06/58/563310658.db2.gz CKXJVACXQVQLQI-UHFFFAOYSA-N 0 0 312.365 4.205 50 0 DIAARN c1cc2c(ncnc2N2CCC(Cc3ccccc3)CC2)s1 ZINC000002637250 563310968 /nfs/dbraw/zinc/31/09/68/563310968.db2.gz AJQCKNBBHOVJGO-UHFFFAOYSA-N 0 0 309.438 4.150 50 0 DIAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1Cl ZINC000002622711 563311155 /nfs/dbraw/zinc/31/11/55/563311155.db2.gz HVIRPOUTISOGID-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002619848 563311394 /nfs/dbraw/zinc/31/13/94/563311394.db2.gz ACRVSVTYANRWID-UHFFFAOYSA-N 0 0 313.706 4.289 50 0 DIAARN O=C1N[C@@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3 ZINC000002603824 563311412 /nfs/dbraw/zinc/31/14/12/563311412.db2.gz KFVPTKKPMRERNS-CQSZACIVSA-N 0 0 318.829 4.134 50 0 DIAARN CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000002726278 563311835 /nfs/dbraw/zinc/31/18/35/563311835.db2.gz LJPBBMBHXGHNEK-UHFFFAOYSA-N 0 0 320.392 4.050 50 0 biogenic DIAARN CCCCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000002750243 563312300 /nfs/dbraw/zinc/31/23/00/563312300.db2.gz YIRSGFJYINMLRB-HNNXBMFYSA-N 0 0 309.409 4.457 50 0 DIAARN CCCNC(=O)c1cc2sccc2n1[C@H](C)c1ccccc1 ZINC000034680184 563312355 /nfs/dbraw/zinc/31/23/55/563312355.db2.gz SMWVKTHGAQBPAF-CYBMUJFWSA-N 0 0 312.438 4.452 50 0 DIAARN Cc1ccc([C@H](C)NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000002743977 563312407 /nfs/dbraw/zinc/31/24/07/563312407.db2.gz PWBGRRPLZQJNPB-LBPRGKRZSA-N 0 0 305.324 4.087 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000002753060 563312448 /nfs/dbraw/zinc/31/24/48/563312448.db2.gz UISOIIYHFHPRCI-UHFFFAOYSA-N 0 0 320.348 4.105 50 0 DIAARN CC[C@@H](C)N(C(=O)c1c(F)c(F)c(F)c(F)c1F)[C@H](C)CC ZINC000002772704 563312893 /nfs/dbraw/zinc/31/28/93/563312893.db2.gz WNLDUEJQTWWISC-HTQZYQBOSA-N 0 0 323.305 4.421 50 0 DIAARN CCNC(=O)c1cc2sc(C)cc2n1[C@H](C)c1ccccc1 ZINC000034680258 563312913 /nfs/dbraw/zinc/31/29/13/563312913.db2.gz QKRGZTJUMRNFGA-CYBMUJFWSA-N 0 0 312.438 4.370 50 0 DIAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000002767673 563313362 /nfs/dbraw/zinc/31/33/62/563313362.db2.gz JKPQVNDAPRKKJD-GOSISDBHSA-N 0 0 316.489 4.168 50 0 DIAARN C[C@@H](SCc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000002815529 563313537 /nfs/dbraw/zinc/31/35/37/563313537.db2.gz OPCVPMJUHYIFCZ-OAHLLOKOSA-N 0 0 303.471 4.315 50 0 DIAARN CCCCN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O ZINC000002818237 563313731 /nfs/dbraw/zinc/31/37/31/563313731.db2.gz KWENPYGZJYQUSK-RAXLEYEMSA-N 0 0 307.440 4.245 50 0 DIAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000002822315 563313838 /nfs/dbraw/zinc/31/38/38/563313838.db2.gz ULVOENHKZGQYBJ-ZDUSSCGKSA-N 0 0 309.340 4.385 50 0 DIAARN CCOc1ccccc1NC(=O)COc1cc(C)cc(C)c1C ZINC000002825100 563314387 /nfs/dbraw/zinc/31/43/87/563314387.db2.gz ZHALUIPVYBMIHA-UHFFFAOYSA-N 0 0 313.397 4.028 50 0 DIAARN Cc1cccc(-c2nnc(SCC(=O)c3cccs3)o2)c1 ZINC000002842076 563314852 /nfs/dbraw/zinc/31/48/52/563314852.db2.gz IDYQGYSXQNLFTB-UHFFFAOYSA-N 0 0 316.407 4.082 50 0 DIAARN O=C(CCc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000002842817 563314894 /nfs/dbraw/zinc/31/48/94/563314894.db2.gz GDWAWJYZYCLGJJ-UHFFFAOYSA-N 0 0 308.208 4.242 50 0 DIAARN O=C1c2cc(Cl)ccc2N(Cc2cccc3ccccc32)C1=O ZINC000002841297 563315058 /nfs/dbraw/zinc/31/50/58/563315058.db2.gz GUXRGXILRASHNY-UHFFFAOYSA-N 0 0 321.763 4.223 50 0 DIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002872757 563316200 /nfs/dbraw/zinc/31/62/00/563316200.db2.gz HJBOIBHMZAMTKV-LKFCYVNXSA-N 0 0 316.203 4.077 50 0 DIAARN CCCCOc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000002941027 563318178 /nfs/dbraw/zinc/31/81/78/563318178.db2.gz IUZWFZGBUAFIIV-INIZCTEOSA-N 0 0 311.425 4.399 50 0 DIAARN Cc1ccc(OCCOC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002983140 563318619 /nfs/dbraw/zinc/31/86/19/563318619.db2.gz NDLYSMRSZQUGCB-UHFFFAOYSA-N 0 0 305.761 4.276 50 0 DIAARN COc1cccc(OC)c1OCCCOc1ccc(Cl)cc1 ZINC000002983874 563318685 /nfs/dbraw/zinc/31/86/85/563318685.db2.gz QVEDMKSEHDKMLK-UHFFFAOYSA-N 0 0 322.788 4.205 50 0 DIAARN Cc1ccc(CSCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000002978606 563318906 /nfs/dbraw/zinc/31/89/06/563318906.db2.gz GETXMSJNKVPMAM-UHFFFAOYSA-N 0 0 319.857 4.312 50 0 DIAARN Cc1cccc(OCCOC(=O)Nc2cccc(Cl)c2)c1 ZINC000002983205 563319027 /nfs/dbraw/zinc/31/90/27/563319027.db2.gz WXPSAHLJKWPXEP-UHFFFAOYSA-N 0 0 305.761 4.276 50 0 DIAARN COc1cccc(OCCOc2cc(Cl)ccc2Cl)c1 ZINC000002985360 563319231 /nfs/dbraw/zinc/31/92/31/563319231.db2.gz KAFYQXAYJYRFFY-UHFFFAOYSA-N 0 0 313.180 4.460 50 0 DIAARN COc1ccc(OCCOc2c(Cl)cccc2Cl)cc1 ZINC000002985532 563319352 /nfs/dbraw/zinc/31/93/52/563319352.db2.gz RTKOZIZQTHVNOD-UHFFFAOYSA-N 0 0 313.180 4.460 50 0 DIAARN COc1ccc(OCCOc2c(C)cc(C)cc2Cl)cc1 ZINC000002991324 563320016 /nfs/dbraw/zinc/32/00/16/563320016.db2.gz PDFROQNIEAJTCH-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN COc1c(C(=O)NCCSC(C)(C)C)ccc2ccccc21 ZINC000003001073 563320516 /nfs/dbraw/zinc/32/05/16/563320516.db2.gz PKDGHHYEMUZBGN-UHFFFAOYSA-N 0 0 317.454 4.110 50 0 DIAARN O=C(CC1c2ccccc2Oc2ccccc21)NCc1ccco1 ZINC000002999338 563320612 /nfs/dbraw/zinc/32/06/12/563320612.db2.gz GIBOFVLBFFZDJA-UHFFFAOYSA-N 0 0 319.360 4.224 50 0 DIAARN CCOCCOC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003086130 563321766 /nfs/dbraw/zinc/32/17/66/563321766.db2.gz RYYRVHJHWLPMDU-UHFFFAOYSA-N 0 0 312.580 4.232 50 0 DIAARN O=C(N/C=C/c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000003105704 563321854 /nfs/dbraw/zinc/32/18/54/563321854.db2.gz JGKPPGDPPZEFAG-MDZDMXLPSA-N 0 0 321.207 4.464 50 0 DIAARN O=C(NCc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 ZINC000003093755 563321985 /nfs/dbraw/zinc/32/19/85/563321985.db2.gz HQAKEQFBRJGYFW-UHFFFAOYSA-N 0 0 319.379 4.274 50 0 DIAARN COc1cc(NC(=O)c2cccc3ccccc32)cc(OC)c1 ZINC000003093785 563322016 /nfs/dbraw/zinc/32/20/16/563322016.db2.gz AWOHNYACIVSIEL-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CC(C)CN(CC(C)C)C(=O)c1ccc(Br)cc1 ZINC000003158389 563323082 /nfs/dbraw/zinc/32/30/82/563323082.db2.gz GAVKUOOZJJJOIC-UHFFFAOYSA-N 0 0 312.251 4.203 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2cccc(Br)c2)c1 ZINC000003271967 563323664 /nfs/dbraw/zinc/32/36/64/563323664.db2.gz NIEWQVJHCHONMM-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1[nH]nc(CCc2ccccc2)c1NC(=O)C1CCCCC1 ZINC000034795275 563324034 /nfs/dbraw/zinc/32/40/34/563324034.db2.gz UYTIGQUEYQLZTI-UHFFFAOYSA-N 0 0 311.429 4.022 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)c1c(F)cccc1F ZINC000003353741 563324575 /nfs/dbraw/zinc/32/45/75/563324575.db2.gz WJVVHJSFPKXILD-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN CCc1[nH]nc(CCc2ccccc2)c1NC(=O)c1ccccc1 ZINC000034795318 563324627 /nfs/dbraw/zinc/32/46/27/563324627.db2.gz UCCCTJPJNLZGES-UHFFFAOYSA-N 0 0 319.408 4.010 50 0 DIAARN O=C(Nc1c(-c2cccc(F)c2)nc2ccccn21)C1CCCC1 ZINC000034913261 563325280 /nfs/dbraw/zinc/32/52/80/563325280.db2.gz NFRDYDCCHOFDNL-UHFFFAOYSA-N 0 0 323.371 4.269 50 0 DIAARN C[C@H]1Sc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2OC1=O ZINC000035327020 563326194 /nfs/dbraw/zinc/32/61/94/563326194.db2.gz ZUSOEMSJWKMNET-SECBINFHSA-N 0 0 308.443 4.387 50 0 DIAARN COc1c(C)cc(C(=O)c2ccc(Br)cc2)cc1C ZINC000004241678 563327193 /nfs/dbraw/zinc/32/71/93/563327193.db2.gz BHJZYHVNIYTBNZ-UHFFFAOYSA-N 0 0 319.198 4.306 50 0 DIAARN Cc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1Cl ZINC000004371531 563327571 /nfs/dbraw/zinc/32/75/71/563327571.db2.gz PPWXQQTYDMOQPT-UHFFFAOYSA-N 0 0 313.784 4.086 50 0 DIAARN Cc1ccc(C(O)(c2ccc(C)cc2)c2ccccc2N)cc1 ZINC000004624032 563327685 /nfs/dbraw/zinc/32/76/85/563327685.db2.gz JIYYWAUNYNSVSG-UHFFFAOYSA-N 0 0 303.405 4.170 50 0 DIAARN COc1ccc2cc(C(=O)N3CCCc4ccccc43)ccc2c1 ZINC000004779450 563328324 /nfs/dbraw/zinc/32/83/24/563328324.db2.gz JXQQOZOBWDKYKU-UHFFFAOYSA-N 0 0 317.388 4.441 50 0 DIAARN Cc1nn2c(nc(C)cc2N2CCCCC2)c1-c1ccc(C)cc1 ZINC000005241033 563329353 /nfs/dbraw/zinc/32/93/53/563329353.db2.gz PNLZKIUZCZKQPS-UHFFFAOYSA-N 0 0 320.440 4.312 50 0 DIAARN CCC(C)(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000071909289 563333254 /nfs/dbraw/zinc/33/32/54/563333254.db2.gz VQRKKVQHEUSRDW-NRFANRHFSA-N 0 0 309.475 4.109 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2C)c1 ZINC000006742118 563333702 /nfs/dbraw/zinc/33/37/02/563333702.db2.gz SQNKPXUKOZCSBM-UHFFFAOYSA-N 0 0 317.776 4.251 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000006886927 563334761 /nfs/dbraw/zinc/33/47/61/563334761.db2.gz KSZCZTOUSJFSRB-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN COc1ccc(Cc2nc3ccccc3n2C(C)C)cc1OC ZINC000007491323 563338572 /nfs/dbraw/zinc/33/85/72/563338572.db2.gz OLSPMNYEKQTKGL-UHFFFAOYSA-N 0 0 310.397 4.225 50 0 DIAARN Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1 ZINC000002718325 563339393 /nfs/dbraw/zinc/33/93/93/563339393.db2.gz BXHQMZSNWSWJGJ-UHFFFAOYSA-N 0 0 314.385 4.346 50 0 DIAARN O=C(/C=C/c1cccs1)Nc1nc2c(cccc2F)s1 ZINC000002723805 563339692 /nfs/dbraw/zinc/33/96/92/563339692.db2.gz QVRNNKFRPWGKIM-VOTSOKGWSA-N 0 0 304.371 4.149 50 0 DIAARN CC[C@@H](O)c1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000007547696 563339714 /nfs/dbraw/zinc/33/97/14/563339714.db2.gz FHTOMMPJKVRDLR-GOSISDBHSA-N 0 0 324.424 4.176 50 0 DIAARN CCn1nc(C)c2c1nc(-c1ccc(O)cc1)cc2C(F)(F)F ZINC000002732610 563340828 /nfs/dbraw/zinc/34/08/28/563340828.db2.gz PHWAJWOSBOCRSU-UHFFFAOYSA-N 0 0 321.302 4.151 50 0 DIAARN CCOc1cccc(-c2cc(C(=O)OC)c3ccccc3n2)c1 ZINC000002768973 563341834 /nfs/dbraw/zinc/34/18/34/563341834.db2.gz PIKGBNKJSVELJE-UHFFFAOYSA-N 0 0 307.349 4.087 50 0 DIAARN Cc1ccc(CONC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002798300 563342614 /nfs/dbraw/zinc/34/26/14/563342614.db2.gz LUECIRSTMGGORP-UHFFFAOYSA-N 0 0 310.180 4.163 50 0 DIAARN COc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC(F)F ZINC000002796631 563342637 /nfs/dbraw/zinc/34/26/37/563342637.db2.gz YCYWIFASUSNJDZ-UHFFFAOYSA-N 0 0 321.323 4.166 50 0 DIAARN Cc1ccoc1CNc1nnc(SCc2ccccc2)s1 ZINC000097379281 563342808 /nfs/dbraw/zinc/34/28/08/563342808.db2.gz LFWDLWOKMFDEPK-UHFFFAOYSA-N 0 0 317.439 4.344 50 0 DIAARN CC(=O)Oc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 ZINC000008036173 563344094 /nfs/dbraw/zinc/34/40/94/563344094.db2.gz OVSXWWTXMRTRFO-CSKARUKUSA-N 0 0 305.333 4.036 50 0 DIAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1OC ZINC000008382769 563346319 /nfs/dbraw/zinc/34/63/19/563346319.db2.gz FXZMZMSCXMXVQG-UHFFFAOYSA-N 0 0 321.376 4.499 50 0 DIAARN COc1ccc(OC)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000003061368 563346932 /nfs/dbraw/zinc/34/69/32/563346932.db2.gz WSJXICGSKXPDDA-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN COc1cccc(-c2noc(-c3ccc(OC(C)C)cc3)n2)c1 ZINC000008570372 563348017 /nfs/dbraw/zinc/34/80/17/563348017.db2.gz XATMFWQSXOMRPI-UHFFFAOYSA-N 0 0 310.353 4.199 50 0 DIAARN COc1ccc(-c2noc(-c3ccc(OC(C)C)cc3)n2)cc1 ZINC000008570373 563348021 /nfs/dbraw/zinc/34/80/21/563348021.db2.gz IYGRCAYTSXIWQK-UHFFFAOYSA-N 0 0 310.353 4.199 50 0 DIAARN CCCn1c2ccccc2nc1NC(=S)Nc1ccccc1 ZINC000008682341 563348735 /nfs/dbraw/zinc/34/87/35/563348735.db2.gz KTDQBYXWPBWQGR-UHFFFAOYSA-N 0 0 310.426 4.255 50 0 DIAARN O=C1C[C@@H](c2cccc(Cl)c2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000008994920 563351511 /nfs/dbraw/zinc/35/15/11/563351511.db2.gz BOOAJPDDOPQUEP-AWEZNQCLSA-N 0 0 323.783 4.204 50 0 DIAARN CC(/C=C/c1ccccc1)=NNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000004321750 563354351 /nfs/dbraw/zinc/35/43/51/563354351.db2.gz CCYDCULYFMGQFW-YYEXUOFUSA-N 0 0 318.420 4.170 50 0 DIAARN CCn1cc(C(=O)Cn2c(C)nc3ccccc32)c2ccccc21 ZINC000010008958 563355196 /nfs/dbraw/zinc/35/51/96/563355196.db2.gz OCTYYVVWSKQEBJ-UHFFFAOYSA-N 0 0 317.392 4.202 50 0 DIAARN Cc1ccc(-c2nn3c(nnc3-c3cccc(F)c3)s2)cc1C ZINC000010311567 563356288 /nfs/dbraw/zinc/35/62/88/563356288.db2.gz VWWBWDFDEFEMLH-UHFFFAOYSA-N 0 0 324.384 4.276 50 0 DIAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000010451443 563357735 /nfs/dbraw/zinc/35/77/35/563357735.db2.gz UXSZWJBFXKFLOM-UHFFFAOYSA-N 0 0 310.397 4.045 50 0 DIAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 ZINC000011937828 563360776 /nfs/dbraw/zinc/36/07/76/563360776.db2.gz BERZSKNMVUINED-GOSISDBHSA-N 0 0 312.413 4.120 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)NCCCc1ccccc1 ZINC000012112183 563361957 /nfs/dbraw/zinc/36/19/57/563361957.db2.gz ZRQIFZBFIFEWKD-UHFFFAOYSA-N 0 0 307.393 4.412 50 0 DIAARN O=Cc1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012293910 563365349 /nfs/dbraw/zinc/36/53/49/563365349.db2.gz LFTHNSQVEQHOOT-UHFFFAOYSA-N 0 0 302.329 4.385 50 0 DIAARN Cc1ccc(N[C@H]2CCCN(C(=O)CCC3(C)CC3)C2)cc1C ZINC000012319585 563366481 /nfs/dbraw/zinc/36/64/81/563366481.db2.gz VGIHVCVUVDWHOW-SFHVURJKSA-N 0 0 314.473 4.287 50 0 DIAARN c1csc(-c2nc(-c3ccc(-c4ccno4)s3)no2)c1 ZINC000012368979 563367148 /nfs/dbraw/zinc/36/71/48/563367148.db2.gz PLRWRIRVZHLCER-UHFFFAOYSA-N 0 0 301.352 4.182 50 0 DIAARN CC(C)c1ccc(Cn2c3ccccc3nc2CCCO)cc1 ZINC000012377780 563367885 /nfs/dbraw/zinc/36/78/85/563367885.db2.gz ZZVMYXUKUJRGDM-UHFFFAOYSA-N 0 0 308.425 4.133 50 0 DIAARN CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000012383086 563368172 /nfs/dbraw/zinc/36/81/72/563368172.db2.gz IXHCDLWFXUVAFC-ZDUSSCGKSA-N 0 0 301.361 4.355 50 0 DIAARN CC(C)Cc1ccc([C@H](C)C(=O)NCCc2cccs2)cc1 ZINC000012401514 563368255 /nfs/dbraw/zinc/36/82/55/563368255.db2.gz BURTTWFRDSCEQC-HNNXBMFYSA-N 0 0 315.482 4.409 50 0 DIAARN Cc1cccnc1NC(=O)CCCOc1ccc(Cl)cc1C ZINC000012537089 563370596 /nfs/dbraw/zinc/37/05/96/563370596.db2.gz PWNFYQNYXKTIPZ-UHFFFAOYSA-N 0 0 318.804 4.150 50 0 DIAARN CCc1cccc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000004348312 563370961 /nfs/dbraw/zinc/37/09/61/563370961.db2.gz BMXXWZSNMDQFAU-UHFFFAOYSA-N 0 0 300.358 4.250 50 0 DIAARN CC(C)=CC(=O)N1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012581178 563371463 /nfs/dbraw/zinc/37/14/63/563371463.db2.gz HBZSDKSFUYFBNE-KRWDZBQOSA-N 0 0 321.420 4.227 50 0 DIAARN CCCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032622922 563372958 /nfs/dbraw/zinc/37/29/58/563372958.db2.gz XNRMSYRPLAAQJP-UHFFFAOYSA-N 0 0 321.380 4.451 50 0 DIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(Cl)c1 ZINC000012800697 563373699 /nfs/dbraw/zinc/37/36/99/563373699.db2.gz ZUKSHJGIUJTQQJ-UHFFFAOYSA-N 0 0 309.756 4.049 50 0 DIAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3)cc2)cs1 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COc1ccc(O)c(-c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000013126628 563378600 /nfs/dbraw/zinc/37/86/00/563378600.db2.gz PKSOTLMRJPMQCC-UHFFFAOYSA-N 0 0 300.745 4.111 50 0 DIAARN Cc1cc2c(Br)ccc(Br)c2cn1 ZINC000013162885 563379716 /nfs/dbraw/zinc/37/97/16/563379716.db2.gz OMWWWADGJUIZNF-UHFFFAOYSA-N 0 0 300.981 4.068 50 0 DIAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 ZINC000013326892 563380638 /nfs/dbraw/zinc/38/06/38/563380638.db2.gz CKQUAVDWZCCSQX-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN Cc1cccc(CSc2nnc(Cc3ccccc3)n2C)c1 ZINC000013325485 563380823 /nfs/dbraw/zinc/38/08/23/563380823.db2.gz SPGYHOAJOZRQMV-UHFFFAOYSA-N 0 0 309.438 4.007 50 0 DIAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCCCC1 ZINC000013331689 563381259 /nfs/dbraw/zinc/38/12/59/563381259.db2.gz DRTAMJJPKXYLAZ-CYBMUJFWSA-N 0 0 316.228 4.163 50 0 DIAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1C2=O ZINC000013426588 563381904 /nfs/dbraw/zinc/38/19/04/563381904.db2.gz SLLYNRORQJEDNW-OKILXGFUSA-N 0 0 319.404 4.301 50 0 DIAARN 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C[C@@H]1C[C@@H](C)CN(c2csc3ccc(Cl)cc3c2=O)C1 ZINC000004478873 563391480 /nfs/dbraw/zinc/39/14/80/563391480.db2.gz WAGMNCXFFLMXIP-GHMZBOCLSA-N 0 0 307.846 4.397 50 0 DIAARN Cc1csc(C(=O)N2CCS[C@H](c3cccs3)CC2)c1 ZINC000219504115 563392677 /nfs/dbraw/zinc/39/26/77/563392677.db2.gz FLZAWLHSDGSQQA-ZDUSSCGKSA-N 0 0 323.508 4.438 50 0 DIAARN Cc1ccc(NC(=O)c2csc(Br)c2)c(C)c1 ZINC000032779820 563393291 /nfs/dbraw/zinc/39/32/91/563393291.db2.gz BCZIIDYGWHGVPI-UHFFFAOYSA-N 0 0 310.216 4.380 50 0 DIAARN Cc1ccc(Cn2c3ccccc3nc2CN2CCCCC2)cc1 ZINC000013943960 563393524 /nfs/dbraw/zinc/39/35/24/563393524.db2.gz ZYEVAUNOPYAOCJ-UHFFFAOYSA-N 0 0 319.452 4.379 50 0 DIAARN C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccco1 ZINC000014070394 563394731 /nfs/dbraw/zinc/39/47/31/563394731.db2.gz MRSXIYVEMUFMSM-ZDUSSCGKSA-N 0 0 303.361 4.342 50 0 DIAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)cc1 ZINC000014160477 563396809 /nfs/dbraw/zinc/39/68/09/563396809.db2.gz YVOMCWCFJYEIBN-UHFFFAOYSA-N 0 0 318.398 4.192 50 0 DIAARN CC(C)(C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000014163984 563397030 /nfs/dbraw/zinc/39/70/30/563397030.db2.gz QZEFCNMBQNOBJO-UHFFFAOYSA-N 0 0 324.833 4.002 50 0 DIAARN Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c2ccccc2n1 ZINC000014186750 563397608 /nfs/dbraw/zinc/39/76/08/563397608.db2.gz ZKUSXTRSALNNGP-KXBFYZLASA-N 0 0 308.425 4.338 50 0 DIAARN CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC000014245549 563398888 /nfs/dbraw/zinc/39/88/88/563398888.db2.gz FMOGPYATOGYRCZ-SFHVURJKSA-N 0 0 313.828 4.419 50 0 DIAARN Cc1ccc2nc(C)c(C(=O)N([C@@H](C)C3CC3)C3CC3)cc2c1 ZINC000032810340 563399022 /nfs/dbraw/zinc/39/90/22/563399022.db2.gz ROZOFHCMLBQIIE-AWEZNQCLSA-N 0 0 308.425 4.255 50 0 DIAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000014246138 563399434 /nfs/dbraw/zinc/39/94/34/563399434.db2.gz VYFBNKPFPPRDAH-LBPRGKRZSA-N 0 0 303.789 4.148 50 0 DIAARN Cc1ccc(-c2ccsc2C(=O)NCc2cccnc2)cc1 ZINC000032819386 563400525 /nfs/dbraw/zinc/40/05/25/563400525.db2.gz JZGGQMJTFZJNKA-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 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DIAARN C[C@H]1CCc2c(sc3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)C1 ZINC000015085190 563407009 /nfs/dbraw/zinc/40/70/09/563407009.db2.gz QQTBAIIREMQQAS-IINYFYTJSA-N 0 0 315.413 4.486 50 0 DIAARN O=C1C[C@H](c2ccc(F)cc2)c2c3c(sc2N1)CCCC3 ZINC000015084686 563407111 /nfs/dbraw/zinc/40/71/11/563407111.db2.gz IHTRIJPISMAVBF-CYBMUJFWSA-N 0 0 301.386 4.240 50 0 DIAARN O=C1C[C@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1 ZINC000015109958 563407752 /nfs/dbraw/zinc/40/77/52/563407752.db2.gz LAINAZUYFAUXLK-CQSZACIVSA-N 0 0 321.405 4.361 50 0 DIAARN CCCNC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 ZINC000032883829 563407844 /nfs/dbraw/zinc/40/78/44/563407844.db2.gz WAFCDFOUZHPJHT-JTQLQIEISA-N 0 0 324.833 4.002 50 0 DIAARN O=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000015198986 563408300 /nfs/dbraw/zinc/40/83/00/563408300.db2.gz LLHHKIROFHRSBQ-MRXNPFEDSA-N 0 0 315.413 4.112 50 0 DIAARN Cc1cc(C)cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000015199144 563408424 /nfs/dbraw/zinc/40/84/24/563408424.db2.gz LKBFDUKJNAWESY-MRXNPFEDSA-N 0 0 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4.070 50 0 DIAARN CCc1ccc(C(=O)[C@@H](C)Sc2ncc3ccccn32)cc1 ZINC000026372043 563425990 /nfs/dbraw/zinc/42/59/90/563425990.db2.gz IOCOYJJBCXTGBL-CYBMUJFWSA-N 0 0 310.422 4.260 50 0 DIAARN CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2ccc(C)cn21 ZINC000026964291 563427406 /nfs/dbraw/zinc/42/74/06/563427406.db2.gz HFNRMJNVXRGXTN-UHFFFAOYSA-N 0 0 313.332 4.017 50 0 DIAARN CCCCNC(=O)c1c2ccccc2nnc1-c1ccc(C)cc1 ZINC000032952889 563427436 /nfs/dbraw/zinc/42/74/36/563427436.db2.gz ICSAELOYTPRLQA-UHFFFAOYSA-N 0 0 319.408 4.135 50 0 DIAARN CC[C@H]1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 ZINC000027154494 563427438 /nfs/dbraw/zinc/42/74/38/563427438.db2.gz RJZDPBFETKXVQE-LBPRGKRZSA-N 0 0 302.805 4.150 50 0 DIAARN CN(Cc1ccco1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000027354323 563428212 /nfs/dbraw/zinc/42/82/12/563428212.db2.gz DOFGPMTZZSHBJF-IBGZPJMESA-N 0 0 320.392 4.091 50 0 DIAARN Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 ZINC000011024009 563428636 /nfs/dbraw/zinc/42/86/36/563428636.db2.gz YYZVONAIWRYRNB-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN O=C(NCc1cccs1)c1ccccc1Nc1ccccc1 ZINC000027626208 563428642 /nfs/dbraw/zinc/42/86/42/563428642.db2.gz YPQFNNUUEBBBEB-UHFFFAOYSA-N 0 0 308.406 4.422 50 0 DIAARN Cc1cccc(NC(=O)c2ccccc2Nc2ccccc2)n1 ZINC000027655671 563428795 /nfs/dbraw/zinc/42/87/95/563428795.db2.gz SCLZRXMQKKHRPX-UHFFFAOYSA-N 0 0 303.365 4.386 50 0 DIAARN CCCc1noc([C@@H](C)Sc2nc3cc(C)ccc3[nH]2)n1 ZINC000027774556 563429116 /nfs/dbraw/zinc/42/91/16/563429116.db2.gz DBCKYZPCBZXTKL-SNVBAGLBSA-N 0 0 302.403 4.060 50 0 DIAARN C[C@H]1CCc2noc(NC(=O)c3cccc4ccccc43)c2C1 ZINC000027794687 563430135 /nfs/dbraw/zinc/43/01/35/563430135.db2.gz KGLKPMGVRBVGMW-LBPRGKRZSA-N 0 0 306.365 4.205 50 0 DIAARN O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000028265757 563430546 /nfs/dbraw/zinc/43/05/46/563430546.db2.gz NSTGONGIATUYNM-UHFFFAOYSA-N 0 0 303.365 4.002 50 0 DIAARN O=C(c1cccs1)N(Cc1ccccc1F)c1ccccn1 ZINC000027991603 563430728 /nfs/dbraw/zinc/43/07/28/563430728.db2.gz VDHGVGPEPKWTEV-UHFFFAOYSA-N 0 0 312.369 4.129 50 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50 0 DIAARN CSCc1cccc(NC(=O)NC(C)(C)c2nccs2)c1 ZINC000072286673 563435380 /nfs/dbraw/zinc/43/53/80/563435380.db2.gz AQFZSNGVPCUSGP-UHFFFAOYSA-N 0 0 321.471 4.063 50 0 DIAARN CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)CC1CCCCC1 ZINC000072286558 563435514 /nfs/dbraw/zinc/43/55/14/563435514.db2.gz PEWFYFJJZBVNHT-INIZCTEOSA-N 0 0 323.502 4.197 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1ccccc1 ZINC000011058758 563436432 /nfs/dbraw/zinc/43/64/32/563436432.db2.gz JJKAEZLRBDJRSY-UHFFFAOYSA-N 0 0 319.408 4.060 50 0 DIAARN CSc1ccc(CN[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643117 563437304 /nfs/dbraw/zinc/43/73/04/563437304.db2.gz VWSCOKBMFPUGKW-GOSISDBHSA-N 0 0 323.465 4.021 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2ccc(N(C)C)cc2)o1 ZINC000255520030 563438966 /nfs/dbraw/zinc/43/89/66/563438966.db2.gz OXMJNNNWMRVDBI-GNKUBVCESA-N 0 0 310.397 4.121 50 0 DIAARN Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(F)cc2)cc1 ZINC000031038377 563439922 /nfs/dbraw/zinc/43/99/22/563439922.db2.gz YPLRUVAFOVPSSO-SFHVURJKSA-N 0 0 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323.371 4.027 50 0 DIAARN O=C(Nc1ccccn1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000451495 563447616 /nfs/dbraw/zinc/44/76/16/563447616.db2.gz VSXROCFOJMOMHU-GOSISDBHSA-N 0 0 314.388 4.026 50 0 DIAARN Cc1ccc(C(O)=C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000000438602 563447656 /nfs/dbraw/zinc/44/76/56/563447656.db2.gz ZIYHRGUBISKEQW-MRXNPFEDSA-N 0 0 308.299 4.018 50 0 DIAARN COc1ccc(-n2cnc3ccc(C)c4nc(C)cc2c34)cc1 ZINC000022078744 563449505 /nfs/dbraw/zinc/44/95/05/563449505.db2.gz IHULBSLMGMHFLA-UHFFFAOYSA-N 0 0 303.365 4.199 50 0 DIAARN Nc1nc(CSc2nc(-c3ccc(F)cc3)cs2)cs1 ZINC000022309565 563449612 /nfs/dbraw/zinc/44/96/12/563449612.db2.gz DUJZWOMIHLZRRF-UHFFFAOYSA-N 0 0 323.443 4.280 50 0 DIAARN Oc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@@H]32)c1 ZINC000036056313 563454503 /nfs/dbraw/zinc/45/45/03/563454503.db2.gz YUWRHOPLLNSCDE-COXVUDFISA-N 0 0 301.773 4.290 50 0 DIAARN COCCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1 ZINC000100842521 563454729 /nfs/dbraw/zinc/45/47/29/563454729.db2.gz 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/nfs/dbraw/zinc/45/65/34/563456534.db2.gz LQOOUNTWEGUOHW-UHFFFAOYSA-N 0 0 300.365 4.099 50 0 DIAARN COCc1c2ccccc2oc1C(=O)N1c2ccccc2C[C@H]1C ZINC000032975216 563457450 /nfs/dbraw/zinc/45/74/50/563457450.db2.gz NPIARSUTZFUEEF-CYBMUJFWSA-N 0 0 321.376 4.171 50 0 DIAARN CCNC(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1 ZINC000032983200 563458219 /nfs/dbraw/zinc/45/82/19/563458219.db2.gz DOQZUEDAFBCQSV-UHFFFAOYSA-N 0 0 316.445 4.125 50 0 DIAARN Cc1cccc(N2C(=O)CC(c3ccc(Cl)cc3)CC2=O)c1 ZINC000032985380 563458846 /nfs/dbraw/zinc/45/88/46/563458846.db2.gz MLVFQHQECAANLK-UHFFFAOYSA-N 0 0 313.784 4.086 50 0 DIAARN Cc1csc(-c2ccc(CNC(=O)CC(C)(C)C)cc2)n1 ZINC000097938065 563460644 /nfs/dbraw/zinc/46/06/44/563460644.db2.gz AYHLMCUFZHXBSI-UHFFFAOYSA-N 0 0 302.443 4.171 50 0 DIAARN Cc1ccc(-c2noc([C@H](C)S[C@@H]3CCO[C@H]3C)n2)cc1F ZINC000247248070 563460943 /nfs/dbraw/zinc/46/09/43/563460943.db2.gz ZTHJVPNRICDCGC-COPLHBTASA-N 0 0 322.405 4.156 50 0 DIAARN Cc1ccccc1-c1noc(-c2cccnc2NC2CCCC2)n1 ZINC000033004305 563461289 /nfs/dbraw/zinc/46/12/89/563461289.db2.gz KMEMARSIUODSNS-UHFFFAOYSA-N 0 0 320.396 4.462 50 0 DIAARN CCOc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 ZINC000044845694 563462957 /nfs/dbraw/zinc/46/29/57/563462957.db2.gz BKJAQWWUZOWFNN-UHFFFAOYSA-N 0 0 304.777 4.060 50 0 DIAARN c1csc(Cn2[nH]cc3nc(-c4ccc5occc5c4)nc2-3)c1 ZINC000048337841 563466520 /nfs/dbraw/zinc/46/65/20/563466520.db2.gz XRUCNDHJXZCFLM-UHFFFAOYSA-N 0 0 320.377 4.282 50 0 DIAARN Cc1c2cc(NC(=O)C3CC3)ccc2oc1C(=O)c1ccccc1 ZINC000013691285 563468753 /nfs/dbraw/zinc/46/87/53/563468753.db2.gz AYFVHJZNWNZZBB-UHFFFAOYSA-N 0 0 319.360 4.321 50 0 DIAARN CCCN(Cc1cccnc1)C(=O)Cc1ccc(C(C)C)cc1 ZINC000055100447 563471106 /nfs/dbraw/zinc/47/11/06/563471106.db2.gz YWLNBOBLXBNHNF-UHFFFAOYSA-N 0 0 310.441 4.186 50 0 DIAARN CCCC[C@H]1C=CCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000055227757 563472540 /nfs/dbraw/zinc/47/25/40/563472540.db2.gz JUFBDGJSLKNJJH-KRWDZBQOSA-N 0 0 308.425 4.422 50 0 DIAARN CSc1ccc(C(=O)N(Cc2ccccn2)CC(C)C)cc1 ZINC000055226070 563472653 /nfs/dbraw/zinc/47/26/53/563472653.db2.gz SITCSIHGZKMKPR-UHFFFAOYSA-N 0 0 314.454 4.102 50 0 DIAARN Cc1ccc(CN(Cc2nccs2)Cc2ccncc2)s1 ZINC000055283736 563473427 /nfs/dbraw/zinc/47/34/27/563473427.db2.gz IMWODPSEAOAZNH-UHFFFAOYSA-N 0 0 315.467 4.110 50 0 DIAARN CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1CC=CCC1 ZINC000055324821 563473744 /nfs/dbraw/zinc/47/37/44/563473744.db2.gz DPUJROSBFBUYHE-HNNXBMFYSA-N 0 0 314.429 4.419 50 0 DIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1ccc(Cl)s1 ZINC000055370275 563474395 /nfs/dbraw/zinc/47/43/95/563474395.db2.gz JRGSDGUTLKESKC-NSHDSACASA-N 0 0 308.834 4.237 50 0 DIAARN C[C@H](c1cccnc1)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055386342 563475130 /nfs/dbraw/zinc/47/51/30/563475130.db2.gz RKJJUNXAYYKDRU-ZIUDEIKKSA-N 0 0 312.457 4.208 50 0 DIAARN Cc1cccnc1C(=O)N(Cc1ccccc1Cl)C(C)C ZINC000055384637 563475561 /nfs/dbraw/zinc/47/55/61/563475561.db2.gz SZRDTAHONYKEOY-UHFFFAOYSA-N 0 0 302.805 4.094 50 0 DIAARN Clc1ccccc1CN1CCN(c2ccccc2Cl)CC1 ZINC000055543463 563476414 /nfs/dbraw/zinc/47/64/14/563476414.db2.gz USZVSAQZQNSMLG-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2F)o1 ZINC000033049072 563476900 /nfs/dbraw/zinc/47/69/00/563476900.db2.gz FYMIGKBYZAQFGZ-UHFFFAOYSA-N 0 0 320.707 4.288 50 0 DIAARN CSc1cccc(NC(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000056520730 563477349 /nfs/dbraw/zinc/47/73/49/563477349.db2.gz WSRMGIICOBJABU-MRXNPFEDSA-N 0 0 313.426 4.173 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)cc2C)s1 ZINC000033049150 563477754 /nfs/dbraw/zinc/47/77/54/563477754.db2.gz BSLXEUBULSPSLV-UHFFFAOYSA-N 0 0 316.357 4.411 50 0 DIAARN C[C@@H](Cc1nc2c(s1)Cc1ccccc1-2)n1cc(Cl)cn1 ZINC000095427188 563477859 /nfs/dbraw/zinc/47/78/59/563477859.db2.gz IPJUESLZCKLXDL-JTQLQIEISA-N 0 0 315.829 4.368 50 0 DIAARN COc1ccc(C(F)(F)F)cc1-c1cc(Cl)nnc1C ZINC000095629682 563478108 /nfs/dbraw/zinc/47/81/08/563478108.db2.gz YETKXYDWPRKFRK-UHFFFAOYSA-N 0 0 302.683 4.133 50 0 DIAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1C[C@H](C)C[C@@H](C)C1 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c1coc(COc2ccc(-n3ccnc3-c3cccnc3)cc2)c1 ZINC000067855066 563492421 /nfs/dbraw/zinc/49/24/21/563492421.db2.gz SHWWHTRJZNMIKF-UHFFFAOYSA-N 0 0 317.348 4.106 50 0 DIAARN CCc1ccc2occ(CC(=O)N(C)[C@H](C)c3ccncc3)c2c1 ZINC000067954279 563494094 /nfs/dbraw/zinc/49/40/94/563494094.db2.gz UYEPJHYCYSVGBD-CQSZACIVSA-N 0 0 322.408 4.152 50 0 DIAARN FC(F)(F)c1nc2cc(-c3nc4ccccc4[nH]3)ccc2[nH]1 ZINC000068752172 563495389 /nfs/dbraw/zinc/49/53/89/563495389.db2.gz MZOGOJITQNNAPP-UHFFFAOYSA-N 0 0 302.259 4.125 50 0 DIAARN Cc1cc(N2CCCC2)nc2ccc(NC(=O)CC(C)C)cc12 ZINC000033084613 563496121 /nfs/dbraw/zinc/49/61/21/563496121.db2.gz USLFGDUMMADFDW-UHFFFAOYSA-N 0 0 311.429 4.128 50 0 DIAARN CC(C)N1C(=O)/C(=C\c2ccncc2)SC1=Nc1ccccc1 ZINC000004661064 563496546 /nfs/dbraw/zinc/49/65/46/563496546.db2.gz FATMJMGYCJLCNR-OLKMIDAGSA-N 0 0 323.421 4.094 50 0 DIAARN CC[C@H](C)NC(=O)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140122 563497857 /nfs/dbraw/zinc/49/78/57/563497857.db2.gz OBBFJMKKHCVPQR-AWEZNQCLSA-N 0 0 304.393 4.430 50 0 DIAARN COc1cccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000071281730 563498548 /nfs/dbraw/zinc/49/85/48/563498548.db2.gz DJNHJGGHCDHQFC-OAHLLOKOSA-N 0 0 311.385 4.130 50 0 DIAARN COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C1CC1 ZINC000071624932 563500551 /nfs/dbraw/zinc/50/05/51/563500551.db2.gz IPBRHVDRTRBACF-UHFFFAOYSA-N 0 0 312.152 4.312 50 0 DIAARN CCc1nc(-c2ccc(C(=O)Nc3ccccc3CC)cc2)no1 ZINC000033254208 563502222 /nfs/dbraw/zinc/50/22/22/563502222.db2.gz JBIJXRVLPXVLTB-UHFFFAOYSA-N 0 0 321.380 4.114 50 0 DIAARN Cc1ccnc2sc(C(=O)Nc3cccc(Cl)c3)c(N)c21 ZINC000135261552 563502544 /nfs/dbraw/zinc/50/25/44/563502544.db2.gz QVUPINBOJMMASG-UHFFFAOYSA-N 0 0 317.801 4.093 50 0 DIAARN Cc1ccccc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000033255328 563502867 /nfs/dbraw/zinc/50/28/67/563502867.db2.gz ZUYGKKDPEXEAGB-UHFFFAOYSA-N 0 0 305.381 4.312 50 0 DIAARN Cc1ccc(-n2nc3oc4ccc(Cl)cc4cc-3c2=O)c(C)c1 ZINC000033261816 563502947 /nfs/dbraw/zinc/50/29/47/563502947.db2.gz PMKXGQJEXNGLIO-UHFFFAOYSA-N 0 0 324.767 4.354 50 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Cc1nc(C(=O)N2CCCC[C@H]2CCc2cccs2)cs1 ZINC000077353440 563509024 /nfs/dbraw/zinc/50/90/24/563509024.db2.gz XWJYKKOCZONRKN-ZDUSSCGKSA-N 0 0 320.483 4.141 50 0 DIAARN O=C(c1cccs1)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000077355839 563509122 /nfs/dbraw/zinc/50/91/22/563509122.db2.gz XCTAMRWPWDGOAG-HNNXBMFYSA-N 0 0 315.438 4.081 50 0 DIAARN CC(C)C[C@H](O)C1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000077406094 563510029 /nfs/dbraw/zinc/51/00/29/563510029.db2.gz WFRUDVDDVMQLBI-KRWDZBQOSA-N 0 0 313.844 4.098 50 0 DIAARN COc1cccc([C@H]2CCCN2C(=O)CCc2cccs2)c1 ZINC000077454277 563511308 /nfs/dbraw/zinc/51/13/08/563511308.db2.gz ZHYMWGQAXNTBES-QGZVFWFLSA-N 0 0 315.438 4.053 50 0 DIAARN CCc1nc(C)sc1Cn1ccnc1-c1ccccc1F ZINC000077505142 563511794 /nfs/dbraw/zinc/51/17/94/563511794.db2.gz BWVFVPOUHSPPQE-UHFFFAOYSA-N 0 0 301.390 4.065 50 0 DIAARN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccco1 ZINC000000048277 563512576 /nfs/dbraw/zinc/51/25/76/563512576.db2.gz GPXZMSSNJWJING-UHFFFAOYSA-N 0 0 313.353 4.021 50 0 DIAARN CCOC(=O)c1oc2ccccc2c1CSc1ccccn1 ZINC000000051669 563514026 /nfs/dbraw/zinc/51/40/26/563514026.db2.gz VATDWNVUQUQJHU-UHFFFAOYSA-N 0 0 313.378 4.297 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(Br)cc2)c1F ZINC000080053759 563515143 /nfs/dbraw/zinc/51/51/43/563515143.db2.gz PUEOEUIUXFPXAC-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN CCOc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 ZINC000000058041 563515249 /nfs/dbraw/zinc/51/52/49/563515249.db2.gz CMRGAQGEERACPR-UHFFFAOYSA-N 0 0 310.349 4.176 50 0 DIAARN Cc1cc(C)c(C)c(/C=C2/N=C(c3ccccc3)OC2=O)c1C ZINC000000059625 563516100 /nfs/dbraw/zinc/51/61/00/563516100.db2.gz PUYZEQMIROKVAL-WOJGMQOQSA-N 0 0 305.377 4.265 50 0 DIAARN O=C(Nc1ccc(NC[C@H]2CC2(F)F)cc1)N1CCCCCC1 ZINC000585140422 563519274 /nfs/dbraw/zinc/51/92/74/563519274.db2.gz DPBCRWVOXFFKPY-CYBMUJFWSA-N 0 0 323.387 4.162 50 0 DIAARN Cc1ccnc(NC(=O)/C=C\c2c(Cl)cccc2Cl)c1 ZINC000033311101 563519769 /nfs/dbraw/zinc/51/97/69/563519769.db2.gz MVZZJSMIXBXTHV-WAYWQWQTSA-N 0 0 307.180 4.349 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033311099 563519799 /nfs/dbraw/zinc/51/97/99/563519799.db2.gz VLPXSTAONULBRJ-NTMALXAHSA-N 0 0 323.392 4.499 50 0 DIAARN CC(C)(C)c1nc(Cl)c(Br)c(C(C)(C)C)n1 ZINC000085451135 563520505 /nfs/dbraw/zinc/52/05/05/563520505.db2.gz WDZHJPQKOYLYAY-UHFFFAOYSA-N 0 0 305.647 4.488 50 0 DIAARN C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000085409047 563520656 /nfs/dbraw/zinc/52/06/56/563520656.db2.gz PDWYLNWXNDZDHG-LLVKDONJSA-N 0 0 304.187 4.191 50 0 DIAARN O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1Cc1ccco1 ZINC000000070087 563521745 /nfs/dbraw/zinc/52/17/45/563521745.db2.gz GSOJINZZMMXVMN-SFHVURJKSA-N 0 0 322.339 4.185 50 0 DIAARN Cc1csc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)c1 ZINC000585149426 563521868 /nfs/dbraw/zinc/52/18/68/563521868.db2.gz RJUQCQDBDBZXLY-OAHLLOKOSA-N 0 0 321.467 4.016 50 0 DIAARN O=C(Cc1ccccc1Cl)NCc1ccc(-c2ccco2)o1 ZINC000585147806 563521901 /nfs/dbraw/zinc/52/19/01/563521901.db2.gz DRXIOMCHRWHJRD-UHFFFAOYSA-N 0 0 315.756 4.052 50 0 DIAARN CCC[C@H](C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000074145 563522527 /nfs/dbraw/zinc/52/25/27/563522527.db2.gz CWMRBJVFWHVVRY-JTQLQIEISA-N 0 0 323.849 4.157 50 0 DIAARN Cc1nc2cc(C)ccn2c1-c1csc(NCc2ccco2)n1 ZINC000000073603 563522546 /nfs/dbraw/zinc/52/25/46/563522546.db2.gz HZSGAYAXILDRBE-UHFFFAOYSA-N 0 0 324.409 4.280 50 0 DIAARN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ncccc2C(F)(F)F)C1 ZINC000225566828 563522556 /nfs/dbraw/zinc/52/25/56/563522556.db2.gz VEDLWDKSIAHWLU-LRDDRELGSA-N 0 0 321.346 4.079 50 0 DIAARN CC(=O)Nc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000098086528 563524227 /nfs/dbraw/zinc/52/42/27/563524227.db2.gz ZIALNCNQVVFXAH-UHFFFAOYSA-N 0 0 324.302 4.156 50 0 DIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)cc1Cl)C2 ZINC000011376548 563524972 /nfs/dbraw/zinc/52/49/72/563524972.db2.gz VDRQZKUENBGMAY-OAHLLOKOSA-N 0 0 321.804 4.443 50 0 DIAARN O=C1Nc2ccc(Br)cc2/C1=C\c1cccs1 ZINC000000086919 563526082 /nfs/dbraw/zinc/52/60/82/563526082.db2.gz ZABODDMEJCUFKR-YRNVUSSQSA-N 0 0 306.184 4.003 50 0 DIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(F)ccc1C)C2 ZINC000011425934 563526152 /nfs/dbraw/zinc/52/61/52/563526152.db2.gz ITJBAJCOWPAUGM-INIZCTEOSA-N 0 0 301.386 4.098 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000000089092 563527578 /nfs/dbraw/zinc/52/75/78/563527578.db2.gz NFRDTFCCEMGGMM-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN FC(F)(F)Oc1cc(Br)cc(C(F)(F)F)c1 ZINC000095215418 563528942 /nfs/dbraw/zinc/52/89/42/563528942.db2.gz AXALQYHPMLKLAS-UHFFFAOYSA-N 0 0 309.003 4.367 50 0 DIAARN Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000095347572 563529107 /nfs/dbraw/zinc/52/91/07/563529107.db2.gz AJFYMPPLANPKJE-UHFFFAOYSA-N 0 0 311.328 4.069 50 0 DIAARN CN(C)Cc1nc2scc(-c3ccccc3)c2c(Cl)n1 ZINC000095202005 563529154 /nfs/dbraw/zinc/52/91/54/563529154.db2.gz PTDBGXVJPZIESI-UHFFFAOYSA-N 0 0 303.818 4.073 50 0 DIAARN COc1cc(OCc2ccccc2)c(OC)cc1Br ZINC000095830591 563530526 /nfs/dbraw/zinc/53/05/26/563530526.db2.gz GKSZUUGCKYUQMN-UHFFFAOYSA-N 0 0 323.186 4.045 50 0 DIAARN 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O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccccc2)s1 ZINC000000272091 563584118 /nfs/dbraw/zinc/58/41/18/563584118.db2.gz FLEKNOOGBMVUBL-VAWYXSNFSA-N 0 0 320.417 4.386 50 0 DIAARN CC(C)(C)c1ccc2cc(C(C)(C)C)cc(S(N)(=O)=O)c2c1 ZINC000000284468 563584722 /nfs/dbraw/zinc/58/47/22/563584722.db2.gz ROZYSWATIIRKBN-UHFFFAOYSA-N 0 0 319.470 4.082 50 0 DIAARN O=Cc1c(-c2ccc(Br)cc2)cc2ccccn12 ZINC000000278033 563584875 /nfs/dbraw/zinc/58/48/75/563584875.db2.gz DYZUCZDNLCSPIQ-UHFFFAOYSA-N 0 0 300.155 4.181 50 0 DIAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000011692495 563587299 /nfs/dbraw/zinc/58/72/99/563587299.db2.gz YLIYGVKRAJATFU-IBGZPJMESA-N 0 0 324.424 4.257 50 0 DIAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nnsc2c1 ZINC000011692758 563588419 /nfs/dbraw/zinc/58/84/19/563588419.db2.gz PBJMODCJGDILOD-UHFFFAOYSA-N 0 0 324.192 4.250 50 0 DIAARN O=Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1Cl ZINC000011692839 563588610 /nfs/dbraw/zinc/58/86/10/563588610.db2.gz WJTHBRGUORTSCZ-VMPITWQZSA-N 0 0 321.159 4.425 50 0 DIAARN Cc1cc2sc(NC(=O)c3ccccc3F)nc2c(C)c1 ZINC000000326306 563588689 /nfs/dbraw/zinc/58/86/89/563588689.db2.gz JOCUAWBZLQNLBN-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN Cc1nc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2nc1C ZINC000000339908 563588846 /nfs/dbraw/zinc/58/88/46/563588846.db2.gz ZPCDUNNOPBYJPN-UHFFFAOYSA-N 0 0 312.756 4.119 50 0 DIAARN C[C@@]1(Cc2ccccc2)C(=O)Oc2ccc3ccccc3c2C1=O ZINC000000344148 563589458 /nfs/dbraw/zinc/58/94/58/563589458.db2.gz XSIAKWGNPSDRLK-NRFANRHFSA-N 0 0 316.356 4.191 50 0 DIAARN CCCCC1CCC(C(=O)Nc2noc3ncccc23)CC1 ZINC000011694950 563589637 /nfs/dbraw/zinc/58/96/37/563589637.db2.gz DSXFKPZDZLLGBZ-UHFFFAOYSA-N 0 0 301.390 4.158 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1 ZINC000011695164 563590088 /nfs/dbraw/zinc/59/00/88/563590088.db2.gz SIPLYNOEJRZKOJ-UHFFFAOYSA-N 0 0 315.417 4.204 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1C ZINC000000370960 563590648 /nfs/dbraw/zinc/59/06/48/563590648.db2.gz UILYERDGSIJSTI-CQSZACIVSA-N 0 0 301.817 4.377 50 0 DIAARN O=C(Nc1nc2sc3c(c2s1)CCCC3)c1ccccc1 ZINC000000360196 563590733 /nfs/dbraw/zinc/59/07/33/563590733.db2.gz VXKYEGZFRHNGEM-UHFFFAOYSA-N 0 0 314.435 4.489 50 0 DIAARN C[C@@H](O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000383832 563591708 /nfs/dbraw/zinc/59/17/08/563591708.db2.gz UXIPVOIIFUKESO-SECBINFHSA-N 0 0 310.180 4.299 50 0 DIAARN O=c1c2c(cnn1-c1ccccc1)S[C@H](c1ccccc1)S2 ZINC000000385728 563591718 /nfs/dbraw/zinc/59/17/18/563591718.db2.gz VRPJDGCYSJUQSL-KRWDZBQOSA-N 0 0 324.430 4.129 50 0 DIAARN O=c1sc2ccccc2n1CCCOc1ccccc1Cl ZINC000005014138 563595613 /nfs/dbraw/zinc/59/56/13/563595613.db2.gz AZDSJSFJKKSRTR-UHFFFAOYSA-N 0 0 319.813 4.186 50 0 DIAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000011709819 563596819 /nfs/dbraw/zinc/59/68/19/563596819.db2.gz PUTNOTNSKRZSJZ-ZDUSSCGKSA-N 0 0 314.454 4.498 50 0 DIAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(F)cc(F)c1 ZINC000011767007 563598748 /nfs/dbraw/zinc/59/87/48/563598748.db2.gz KCEQKWNDHGYMLV-UHFFFAOYSA-N 0 0 316.351 4.126 50 0 DIAARN Cc1cc(NC(=O)CCC2CCCC2)ccc1N1CCCC1=O ZINC000011740421 563599034 /nfs/dbraw/zinc/59/90/34/563599034.db2.gz HFCDQVOIKYBSBO-UHFFFAOYSA-N 0 0 314.429 4.031 50 0 DIAARN O=C(C1CCCCC1)N(Cc1ccsc1)Cc1ccccn1 ZINC000044445933 563602232 /nfs/dbraw/zinc/60/22/32/563602232.db2.gz INGOQLUTJDYIPK-UHFFFAOYSA-N 0 0 314.454 4.252 50 0 DIAARN N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(N)=S ZINC000001797310 563604224 /nfs/dbraw/zinc/60/42/24/563604224.db2.gz OZTKBEMOEMPBGI-YFHOEESVSA-N 0 0 322.311 4.158 50 0 DIAARN Cc1ccc(-c2ncc(CN3CCC[C@@H]3c3ccc[nH]3)s2)o1 ZINC000127413363 563604379 /nfs/dbraw/zinc/60/43/79/563604379.db2.gz QAGJYUYHWALPKD-OAHLLOKOSA-N 0 0 313.426 4.377 50 0 DIAARN C/C=C\c1ccc(OCc2nc3cc(OC)ccc3[nH]2)c(OC)c1 ZINC000050812664 563606314 /nfs/dbraw/zinc/60/63/14/563606314.db2.gz ZUMYEHLZMWMZIE-PLNGDYQASA-N 0 0 324.380 4.192 50 0 DIAARN C[S@](=O)Cc1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000249196229 563609368 /nfs/dbraw/zinc/60/93/68/563609368.db2.gz QTCHAFKQVPYPKF-YLGBZRSBSA-N 0 0 319.392 4.098 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IKXILDNPCZPPRV-YBINERFMSA-N 0 0 304.474 4.205 50 0 DIAARN CC(=O)c1ccc(-c2ccc(I)cc2)cc1 ZINC000000246189 563616047 /nfs/dbraw/zinc/61/60/47/563616047.db2.gz SKICUSNBUUBBAB-UHFFFAOYSA-N 0 0 322.145 4.161 50 0 DIAARN Cc1cc(CN(Cc2cc(C)no2)c2cc(C)cc(C)c2)on1 ZINC000073787763 563616369 /nfs/dbraw/zinc/61/63/69/563616369.db2.gz OFMGLNSNWWSYJA-UHFFFAOYSA-N 0 0 311.385 4.103 50 0 DIAARN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)C1CCOCC1 ZINC000075610230 563616642 /nfs/dbraw/zinc/61/66/42/563616642.db2.gz UVGREDVCGSMRKW-GOSISDBHSA-N 0 0 303.446 4.049 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2nccs2)o1 ZINC000075543879 563616995 /nfs/dbraw/zinc/61/69/95/563616995.db2.gz DUCTYXILZIICAP-CMPLNLGQSA-N 0 0 305.403 4.050 50 0 DIAARN Cc1cccc(OCCC(=O)OCc2ccc(Cl)cc2)c1 ZINC000003264462 563622268 /nfs/dbraw/zinc/62/22/68/563622268.db2.gz SAQWDVHUTCUPOW-UHFFFAOYSA-N 0 0 304.773 4.161 50 0 DIAARN COC(=O)c1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000005453024 563622277 /nfs/dbraw/zinc/62/22/77/563622277.db2.gz 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FIGQWLLJTIYIAZ-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN COc1cc(OC)c(OC)cc1/C=C\c1ccnc2ccccc12 ZINC000017353819 563627335 /nfs/dbraw/zinc/62/73/35/563627335.db2.gz XPYLMRIXEKTASO-HJWRWDBZSA-N 0 0 321.376 4.431 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1 ZINC000000146837 563628411 /nfs/dbraw/zinc/62/84/11/563628411.db2.gz FTSCAFCBIYERSG-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN Cc1cc(Br)ccc1NCc1ccc2c(c1)OCO2 ZINC000000200704 563628439 /nfs/dbraw/zinc/62/84/39/563628439.db2.gz RZIROGOWNGCWKX-UHFFFAOYSA-N 0 0 320.186 4.098 50 0 DIAARN Cc1nc(-c2cccc(NC(=O)c3cccs3)c2)cs1 ZINC000000169484 563628465 /nfs/dbraw/zinc/62/84/65/563628465.db2.gz YRDMXSJJLXYYBY-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN O=C(Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000000074921 563628855 /nfs/dbraw/zinc/62/88/55/563628855.db2.gz RSVQDLQEPJXEAV-UHFFFAOYSA-N 0 0 307.391 4.302 50 0 DIAARN COc1ccc(CC[C@H](C)Nc2ccc(OC)cc2OC)cc1 ZINC000000280397 563629247 /nfs/dbraw/zinc/62/92/47/563629247.db2.gz ZWSFTMCOCQQTGA-AWEZNQCLSA-N 0 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319.451 4.061 50 0 DIAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)C1CCCC1 ZINC000000484173 563645231 /nfs/dbraw/zinc/64/52/31/563645231.db2.gz UCMNVHZMRIKZNP-UHFFFAOYSA-N 0 0 308.353 4.217 50 0 DIAARN CCC(=O)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 ZINC000000485865 563645749 /nfs/dbraw/zinc/64/57/49/563645749.db2.gz YRQBOLHXJYXWJS-UHFFFAOYSA-N 0 0 302.370 4.005 50 0 biogenic DIAARN CC(C)c1ccc(NC(=O)c2sc3ncccc3c2N)cc1 ZINC000010010812 563646443 /nfs/dbraw/zinc/64/64/43/563646443.db2.gz VUKXNOZYGWZEME-UHFFFAOYSA-N 0 0 311.410 4.254 50 0 DIAARN Cc1nn2c(nc(-c3ccccc3)c2-c2ccccc2)nc1Cl ZINC000000495032 563650614 /nfs/dbraw/zinc/65/06/14/563650614.db2.gz FUGDVAVUBYCXFU-UHFFFAOYSA-N 0 0 320.783 4.420 50 0 DIAARN CCc1ccccc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000011693141 563650702 /nfs/dbraw/zinc/65/07/02/563650702.db2.gz ZOOCLNWFAIHFPQ-UHFFFAOYSA-N 0 0 324.355 4.224 50 0 DIAARN FC(F)(F)c1nc2ccccc2c(NCc2ccccc2)n1 ZINC000011990416 563651616 /nfs/dbraw/zinc/65/16/16/563651616.db2.gz OBDCKGYVADYWOX-UHFFFAOYSA-N 0 0 303.287 4.261 50 0 DIAARN c1ccc(-c2ccccc2OCc2nnc([C@@H]3CCCO3)o2)cc1 ZINC000583652306 563651738 /nfs/dbraw/zinc/65/17/38/563651738.db2.gz JKRMGUPNFITAFU-KRWDZBQOSA-N 0 0 322.364 4.167 50 0 DIAARN O=C(Oc1ccccc1OC(=O)c1ccccc1)c1ccccc1 ZINC000000236762 563657362 /nfs/dbraw/zinc/65/73/62/563657362.db2.gz LVTPRIAGCBEGPW-UHFFFAOYSA-N 0 0 318.328 4.125 50 0 biogenic DIAARN Cc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=Nc3ncnn32)c1 ZINC000102048202 563658352 /nfs/dbraw/zinc/65/83/52/563658352.db2.gz UJLHEHJSCJIHPJ-IBGZPJMESA-N 0 0 316.408 4.259 50 0 DIAARN CC(=O)Nc1cccc2ccc(-c3cnc4ccccc4c3)nc21 ZINC000000510130 563659860 /nfs/dbraw/zinc/65/98/60/563659860.db2.gz NYFHJPUWPBWQJD-UHFFFAOYSA-N 0 0 313.360 4.408 50 0 DIAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000102729400 563661447 /nfs/dbraw/zinc/66/14/47/563661447.db2.gz OCZCJYXEFOMHMI-MRXNPFEDSA-N 0 0 310.353 4.206 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000000516087 563661577 /nfs/dbraw/zinc/66/15/77/563661577.db2.gz QFSPPHNFTKLZCR-UHFFFAOYSA-N 0 0 317.392 4.321 50 0 DIAARN O=C(C[C@H](c1ccco1)c1ccc(F)cc1)NC1CCCCC1 ZINC000000522075 563664611 /nfs/dbraw/zinc/66/46/11/563664611.db2.gz MIYQYMXBYUYIOE-KRWDZBQOSA-N 0 0 315.388 4.390 50 0 DIAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)C(C)(C)C)sc2n1 ZINC000000534518 563666890 /nfs/dbraw/zinc/66/68/90/563666890.db2.gz UVEGYYKFTPVGMO-UHFFFAOYSA-N 0 0 316.348 4.435 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)c(C)c1 ZINC000014393193 563667369 /nfs/dbraw/zinc/66/73/69/563667369.db2.gz LDQLYTAVHIDQOU-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN Cn1c(S)cc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000000536346 563667384 /nfs/dbraw/zinc/66/73/84/563667384.db2.gz KDADYLBAGSYWPU-SECBINFHSA-N 0 0 307.484 4.040 50 0 DIAARN Clc1ccccc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000000538317 563667829 /nfs/dbraw/zinc/66/78/29/563667829.db2.gz MSDPWCWPZYLRNS-UHFFFAOYSA-N 0 0 312.785 4.173 50 0 DIAARN CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1 ZINC000000551087 563669440 /nfs/dbraw/zinc/66/94/40/563669440.db2.gz RTRGJXSHTFYFDT-UHFFFAOYSA-N 0 0 316.426 4.356 50 0 DIAARN Cc1cc2ncn(C[C@H](O)c3ccccc3Cl)c2cc1C ZINC000051261514 563670180 /nfs/dbraw/zinc/67/01/80/563670180.db2.gz HKKIRWDLWRRTLC-KRWDZBQOSA-N 0 0 300.789 4.040 50 0 DIAARN C/C(=C\C(=O)N(C)Cc1c(C)noc1C)c1ccccc1Cl ZINC000103866600 563670789 /nfs/dbraw/zinc/67/07/89/563670789.db2.gz MQBLGZWZPNQQFU-PKNBQFBNSA-N 0 0 318.804 4.007 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000000557936 563670802 /nfs/dbraw/zinc/67/08/02/563670802.db2.gz IJOXRYYEEGVBJV-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN COc1ccc(NC(=O)c2c(F)cccc2F)c2ccccc12 ZINC000000567807 563671447 /nfs/dbraw/zinc/67/14/47/563671447.db2.gz NNZMTVGWEMCHMZ-UHFFFAOYSA-N 0 0 313.303 4.379 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)c1cccc2ccccc21 ZINC000000567875 563671587 /nfs/dbraw/zinc/67/15/87/563671587.db2.gz IVHFHFGGYUOTIE-UHFFFAOYSA-N 0 0 308.406 4.427 50 0 DIAARN COc1ccc(C(=O)CSc2nccc3ccccc32)cc1 ZINC000012138902 563680988 /nfs/dbraw/zinc/68/09/88/563680988.db2.gz JDMCEKQQWPBNFE-UHFFFAOYSA-N 0 0 309.390 4.218 50 0 DIAARN c1ccc(-c2nccc(N3CCS[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000107074945 563682857 /nfs/dbraw/zinc/68/28/57/563682857.db2.gz VLDJJEJDQIHDNE-HZPDHXFCSA-N 0 0 311.454 4.008 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)cc1 ZINC000044837613 563684587 /nfs/dbraw/zinc/68/45/87/563684587.db2.gz BALJAFVOZOSZSA-UHFFFAOYSA-N 0 0 305.381 4.254 50 0 DIAARN COc1ccc(C)cc1[C@H](C)NC(=O)N1CC[C@H]1c1ccccc1 ZINC000045120410 563688208 /nfs/dbraw/zinc/68/82/08/563688208.db2.gz JIRGTWLKTWNDAO-YJBOKZPZSA-N 0 0 324.424 4.221 50 0 DIAARN CN1CCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1 ZINC000045336256 563688427 /nfs/dbraw/zinc/68/84/27/563688427.db2.gz IWEWIZBBORJKBV-UHFFFAOYSA-N 0 0 308.400 4.011 50 0 DIAARN CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1 ZINC000045336764 563688584 /nfs/dbraw/zinc/68/85/84/563688584.db2.gz BGBNMDBTYCCSBL-XFXZXTDPSA-N 0 0 306.384 4.396 50 0 DIAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H]1c1ccccc1 ZINC000045315520 563688852 /nfs/dbraw/zinc/68/88/52/563688852.db2.gz XZZCXZDLIDNZGU-FQEVSTJZSA-N 0 0 318.420 4.383 50 0 DIAARN O=C(Nc1nc2ccccc2s1)N1CC[C@H]1c1ccccc1 ZINC000045816984 563690193 /nfs/dbraw/zinc/69/01/93/563690193.db2.gz PCROOBZAIUGKEX-AWEZNQCLSA-N 0 0 309.394 4.275 50 0 DIAARN O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046018087 563691615 /nfs/dbraw/zinc/69/16/15/563691615.db2.gz GMNLRPNTWHLNCJ-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(c1c(F)cccc1F)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018039 563691623 /nfs/dbraw/zinc/69/16/23/563691623.db2.gz QFAJCRGQQCMGGT-HNNXBMFYSA-N 0 0 305.299 4.081 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1F ZINC000046018533 563691637 /nfs/dbraw/zinc/69/16/37/563691637.db2.gz WLCFWNVDHMMNSY-MRXNPFEDSA-N 0 0 314.360 4.203 50 0 DIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018061 563691752 /nfs/dbraw/zinc/69/17/52/563691752.db2.gz FBOGPUJLKJVXSD-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN CC(C)N(Cc1nnsc1Cl)Cc1cccc(Cl)c1 ZINC000047959070 563692567 /nfs/dbraw/zinc/69/25/67/563692567.db2.gz GTRSBANXOABSBX-UHFFFAOYSA-N 0 0 316.257 4.256 50 0 DIAARN Cc1ccc(C(=O)N(C)Cc2cc(Br)cs2)cc1 ZINC000048069415 563693595 /nfs/dbraw/zinc/69/35/95/563693595.db2.gz KVGPBGMOTNJJNX-UHFFFAOYSA-N 0 0 324.243 4.091 50 0 DIAARN O=C(N[C@@H]1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1 ZINC000048312042 563695534 /nfs/dbraw/zinc/69/55/34/563695534.db2.gz ZFRSMKDKKIVYCQ-MRXNPFEDSA-N 0 0 310.784 4.239 50 0 DIAARN CSc1ccc(NC(=O)c2cccc(-n3ccc(C)n3)c2)cc1 ZINC000048302171 563695799 /nfs/dbraw/zinc/69/57/99/563695799.db2.gz QEWVELVYXMGARB-UHFFFAOYSA-N 0 0 323.421 4.155 50 0 DIAARN Cc1ccc(SCC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000048325204 563696456 /nfs/dbraw/zinc/69/64/56/563696456.db2.gz BZHYDRGDYZHECR-SFHVURJKSA-N 0 0 311.450 4.451 50 0 DIAARN O=C(CSc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000048339841 563696918 /nfs/dbraw/zinc/69/69/18/563696918.db2.gz NKEWVCWVMBDPFT-QGZVFWFLSA-N 0 0 315.413 4.282 50 0 DIAARN Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000048374302 563698125 /nfs/dbraw/zinc/69/81/25/563698125.db2.gz NBYKEYBTYQIATB-WMLDXEAASA-N 0 0 314.454 4.221 50 0 DIAARN Cc1nc(C)c([C@@H](C)NC(=O)c2sccc2C2CC2)s1 ZINC000049377042 563701009 /nfs/dbraw/zinc/70/10/09/563701009.db2.gz ZJEXVGAHMFDASK-SECBINFHSA-N 0 0 306.456 4.190 50 0 DIAARN COc1ccc2c(cc(C(=O)Nc3ccccc3Cl)n2C)c1 ZINC000049728927 563702320 /nfs/dbraw/zinc/70/23/20/563702320.db2.gz UVMKXRPWFYZWPS-UHFFFAOYSA-N 0 0 314.772 4.093 50 0 DIAARN Cc1cccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 ZINC000049587077 563702358 /nfs/dbraw/zinc/70/23/58/563702358.db2.gz YHJNHJSRTPBOLU-UHFFFAOYSA-N 0 0 314.392 4.093 50 0 DIAARN Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)no1 ZINC000049992036 563702899 /nfs/dbraw/zinc/70/28/99/563702899.db2.gz VYZWIFWTJGYSAE-UHFFFAOYSA-N 0 0 314.385 4.048 50 0 DIAARN Nc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000034644660 563703215 /nfs/dbraw/zinc/70/32/15/563703215.db2.gz PNASWLJTSYRLSN-UHFFFAOYSA-N 0 0 303.287 4.345 50 0 DIAARN COc1ccc(CN2CCC[C@@H]2c2nccs2)cc1Cl ZINC000215529826 563706226 /nfs/dbraw/zinc/70/62/26/563706226.db2.gz IXBPOXXLNJXGLT-CYBMUJFWSA-N 0 0 308.834 4.142 50 0 DIAARN CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)c2ccccc2O1 ZINC000006845723 563706446 /nfs/dbraw/zinc/70/64/46/563706446.db2.gz XFDFKXHCCRFGNU-GFCCVEGCSA-N 0 0 318.323 4.174 50 0 DIAARN COc1ccccc1[C@@H]1CCCN1Cc1csc(C(C)=O)c1 ZINC000216002559 563707655 /nfs/dbraw/zinc/70/76/55/563707655.db2.gz WHVACOVNKWXKQP-INIZCTEOSA-N 0 0 315.438 4.296 50 0 DIAARN O=C(NCc1ccccc1F)c1cc2c(s1)CCCCC2 ZINC000006943251 563709775 /nfs/dbraw/zinc/70/97/75/563709775.db2.gz VTQPZSZHWNSYKL-UHFFFAOYSA-N 0 0 303.402 4.086 50 0 DIAARN O=C(NCc1ccccc1F)c1ccc(-c2ccccc2)cc1 ZINC000006981741 563710291 /nfs/dbraw/zinc/71/02/91/563710291.db2.gz AJCWIAUVZBRERX-UHFFFAOYSA-N 0 0 305.352 4.423 50 0 DIAARN CN(Cc1ccco1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007018420 563711178 /nfs/dbraw/zinc/71/11/78/563711178.db2.gz SHFJFKWNIWOILV-UHFFFAOYSA-N 0 0 320.392 4.164 50 0 DIAARN Clc1ccc(OCc2nnc(-c3ccco3)o2)c(Cl)c1 ZINC000007890970 563717622 /nfs/dbraw/zinc/71/76/22/563717622.db2.gz PXZJKSJGOTUPFU-UHFFFAOYSA-N 0 0 311.124 4.215 50 0 DIAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccco2)cc1 ZINC000007883971 563717725 /nfs/dbraw/zinc/71/77/25/563717725.db2.gz MOQOKNYLALVRNL-IBGZPJMESA-N 0 0 318.376 4.355 50 0 DIAARN CC(C)C(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1 ZINC000008209560 563719034 /nfs/dbraw/zinc/71/90/34/563719034.db2.gz VURPCYFYLCPAID-UHFFFAOYSA-N 0 0 323.421 4.467 50 0 DIAARN CCc1ccc([C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 ZINC000008062712 563719249 /nfs/dbraw/zinc/71/92/49/563719249.db2.gz LAHVCJQWKWYNPJ-FQEVSTJZSA-N 0 0 311.425 4.141 50 0 DIAARN CSc1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 ZINC000008274865 563720406 /nfs/dbraw/zinc/72/04/06/563720406.db2.gz PDSLXFRJSGOIHA-UHFFFAOYSA-N 0 0 317.385 4.149 50 0 DIAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1F ZINC000000438129 563724084 /nfs/dbraw/zinc/72/40/84/563724084.db2.gz WTPQAJFYUKESTF-UHFFFAOYSA-N 0 0 305.352 4.345 50 0 DIAARN COc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1ccc(F)cc1 ZINC000025106386 563725274 /nfs/dbraw/zinc/72/52/74/563725274.db2.gz INRWZZJPTXKFIQ-UELRPHRMSA-N 0 0 313.372 4.067 50 0 DIAARN COc1cc2c(cc1CN[C@@H](C)c1ccccc1F)O[C@H](C)C2 ZINC000025363153 563726674 /nfs/dbraw/zinc/72/66/74/563726674.db2.gz XQMKRVMBTHPWGB-OLZOCXBDSA-N 0 0 315.388 4.009 50 0 DIAARN COc1cc2c(cc1CN[C@H](C)c1ccccc1F)O[C@@H](C)C2 ZINC000025363164 563726777 /nfs/dbraw/zinc/72/67/77/563726777.db2.gz XQMKRVMBTHPWGB-QWHCGFSZSA-N 0 0 315.388 4.009 50 0 DIAARN O=C(Nc1nc(C2CC2)cs1)c1cc2ccccc2cc1O ZINC000025560005 563729289 /nfs/dbraw/zinc/72/92/89/563729289.db2.gz YFKMTWXHZQSUGY-UHFFFAOYSA-N 0 0 310.378 4.132 50 0 DIAARN O=C(/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl)N1CCCC1 ZINC000025627575 563729806 /nfs/dbraw/zinc/72/98/06/563729806.db2.gz WUELSOBVETYXLV-FNORWQNLSA-N 0 0 323.434 4.184 50 0 DIAARN CCOC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000034447485 563730431 /nfs/dbraw/zinc/73/04/31/563730431.db2.gz QCWORPWAKUCKSU-UHFFFAOYSA-N 0 0 316.304 4.082 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1 ZINC000028579547 563753864 /nfs/dbraw/zinc/75/38/64/563753864.db2.gz REZDVGWWYHNIFU-UHFFFAOYSA-N 0 0 324.359 4.023 50 0 DIAARN C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000225395326 563754048 /nfs/dbraw/zinc/75/40/48/563754048.db2.gz QNRVGNUFCRYPJL-FRRDWIJNSA-N 0 0 323.506 4.332 50 0 DIAARN COCCN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[C@H]1C ZINC000225437956 563755427 /nfs/dbraw/zinc/75/54/27/563755427.db2.gz HXADEOUVCSFKGW-IUODEOHRSA-N 0 0 310.825 4.009 50 0 DIAARN Cn1ccc2ccc(NCc3cnc(-c4ccccn4)s3)cc21 ZINC000225502838 563757197 /nfs/dbraw/zinc/75/71/97/563757197.db2.gz OITZYVJISWNLAP-UHFFFAOYSA-N 0 0 320.421 4.309 50 0 DIAARN CSc1ccccc1NCC(=O)Nc1cccc(Cl)c1 ZINC000028663645 563757298 /nfs/dbraw/zinc/75/72/98/563757298.db2.gz OKCMJTIPTIPFGH-UHFFFAOYSA-N 0 0 306.818 4.113 50 0 DIAARN COc1nc2ccccc2cc1CN1CCC(C(F)(F)F)CC1 ZINC000225533319 563758123 /nfs/dbraw/zinc/75/81/23/563758123.db2.gz CNZQIEFTAJDZGD-UHFFFAOYSA-N 0 0 324.346 4.018 50 0 DIAARN COC(=O)c1cc(CNc2cc(Cl)ccc2Cl)oc1C ZINC000030285314 563761911 /nfs/dbraw/zinc/76/19/11/563761911.db2.gz CFOHJEHRVSIYOO-UHFFFAOYSA-N 0 0 314.168 4.294 50 0 DIAARN Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1C ZINC000012392709 563769692 /nfs/dbraw/zinc/76/96/92/563769692.db2.gz DIARHDMAMHWEDO-UHFFFAOYSA-N 0 0 315.388 4.032 50 0 DIAARN CCCc1cc(C(N)=O)cc(CCC)c1OCc1ccccc1 ZINC000033640226 563770362 /nfs/dbraw/zinc/77/03/62/563770362.db2.gz VNVZKYVYFIBUHW-UHFFFAOYSA-N 0 0 311.425 4.270 50 0 DIAARN O=C(COc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 ZINC000001677450 563773816 /nfs/dbraw/zinc/77/38/16/563773816.db2.gz DEDMGYGTCWQTNW-UHFFFAOYSA-N 0 0 311.164 4.116 50 0 DIAARN Cc1cc(C)c2nc(C)cc(NC(=O)Cc3cccs3)c2c1 ZINC000012421873 563774164 /nfs/dbraw/zinc/77/41/64/563774164.db2.gz NFFNUBPNYLHYOW-UHFFFAOYSA-N 0 0 310.422 4.403 50 0 DIAARN Cc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1C ZINC000012422259 563774406 /nfs/dbraw/zinc/77/44/06/563774406.db2.gz DZMMXYCKQFXXEC-UHFFFAOYSA-N 0 0 312.394 4.201 50 0 DIAARN O=C(c1cncc(F)c1)N1CCCSc2ccc(Cl)cc21 ZINC000124620423 563775123 /nfs/dbraw/zinc/77/51/23/563775123.db2.gz HUMAEZBELWDMTK-UHFFFAOYSA-N 0 0 322.792 4.017 50 0 DIAARN Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2O)s1 ZINC000240551540 563776652 /nfs/dbraw/zinc/77/66/52/563776652.db2.gz GUNJIILLGBLXAP-UHFFFAOYSA-N 0 0 302.182 4.321 50 0 DIAARN O=C(c1noc2c1CCCCC2)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000240756962 563776776 /nfs/dbraw/zinc/77/67/76/563776776.db2.gz HVROPIAPQONISQ-ZBFHGGJFSA-N 0 0 316.445 4.128 50 0 DIAARN CC(C)c1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)no1 ZINC000241588042 563777133 /nfs/dbraw/zinc/77/71/33/563777133.db2.gz OZCNQRCQXZSRMT-MRXNPFEDSA-N 0 0 312.413 4.035 50 0 DIAARN C[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1F ZINC000242317057 563778388 /nfs/dbraw/zinc/77/83/88/563778388.db2.gz YWYYVRORTUXFDG-BLLLJJGKSA-N 0 0 300.377 4.174 50 0 DIAARN CC(C)c1ncc(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)s1 ZINC000242389383 563778490 /nfs/dbraw/zinc/77/84/90/563778490.db2.gz ZWRREJQCJQBONZ-KBPBESRZSA-N 0 0 306.475 4.451 50 0 DIAARN C[C@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1ccncc1F 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4.428 50 0 DIAARN c1ccc2cc(OCc3nnc([C@@H]4CCCCO4)o3)ccc2c1 ZINC000521393827 563887914 /nfs/dbraw/zinc/88/79/14/563887914.db2.gz YWCHUOZRUHMHBU-INIZCTEOSA-N 0 0 310.353 4.043 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CNc1cccc(Cl)c1 ZINC000007971819 563890492 /nfs/dbraw/zinc/89/04/92/563890492.db2.gz XOBOUHGNVAJSQN-UHFFFAOYSA-N 0 0 309.196 4.352 50 0 DIAARN Cc1ccc(-c2cc(CN(C(=O)C3CC3)C(C)C)no2)cc1C ZINC000036001756 563891592 /nfs/dbraw/zinc/89/15/92/563891592.db2.gz PVICGPDRZSCTKV-UHFFFAOYSA-N 0 0 312.413 4.105 50 0 DIAARN Cc1ccc(C)c(-c2cc(CN(C(=O)C(C)C)C(C)C)no2)c1 ZINC000036005598 563891760 /nfs/dbraw/zinc/89/17/60/563891760.db2.gz KEVSIRAWCJMQQY-UHFFFAOYSA-N 0 0 314.429 4.351 50 0 DIAARN Cc1ccc(-c2cc(CN(C)C(=O)c3ccccc3)no2)c(C)c1 ZINC000036012399 563891779 /nfs/dbraw/zinc/89/17/79/563891779.db2.gz MJYJSAXYRMNQQU-UHFFFAOYSA-N 0 0 320.392 4.231 50 0 DIAARN C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1cccc(Cl)c1 ZINC000035982550 563891880 /nfs/dbraw/zinc/89/18/80/563891880.db2.gz QFPGGYBXXIHZBK-CYBMUJFWSA-N 0 0 301.817 4.495 50 0 DIAARN Cc1cc(C)c(-c2c([O-])c3cc(Cl)ccc3[nH]c2=O)c(C)c1 ZINC000006666810 563892240 /nfs/dbraw/zinc/89/22/40/563892240.db2.gz HJZYXXPCWXOBQT-UHFFFAOYSA-N 0 0 313.784 4.479 50 0 DIAARN CCCn1cnc2cc(CNC(=O)CCC3CCCC3)ccc21 ZINC000064755041 563893112 /nfs/dbraw/zinc/89/31/12/563893112.db2.gz QLYZIEAAYSUBFE-UHFFFAOYSA-N 0 0 313.445 4.033 50 0 DIAARN CCCn1nnc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000064818611 563894168 /nfs/dbraw/zinc/89/41/68/563894168.db2.gz DOWUUKVPIBCGDJ-UHFFFAOYSA-N 0 0 322.412 4.217 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc12 ZINC000006727335 563894398 /nfs/dbraw/zinc/89/43/98/563894398.db2.gz BTOVPKVJYPZHJA-CQSZACIVSA-N 0 0 306.409 4.286 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)N1CCOc2ccccc21 ZINC000006842501 563896473 /nfs/dbraw/zinc/89/64/73/563896473.db2.gz JYQSOGSOAUCOGO-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 ZINC000006842635 563896700 /nfs/dbraw/zinc/89/67/00/563896700.db2.gz AEYVDMKRKUMSOP-NSHDSACASA-N 0 0 302.761 4.159 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1cc(C)cc(C)c1)C[C@@H](C)O2 ZINC000006842717 563896710 /nfs/dbraw/zinc/89/67/10/563896710.db2.gz UQFYKBIZZVEWCJ-OAHLLOKOSA-N 0 0 310.397 4.431 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc3c1CCCC3)CCO2 ZINC000006842613 563896758 /nfs/dbraw/zinc/89/67/58/563896758.db2.gz PCFZIIRTYUBRNR-UHFFFAOYSA-N 0 0 322.408 4.305 50 0 DIAARN Cc1ccc(C)c(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 ZINC000036394919 563898283 /nfs/dbraw/zinc/89/82/83/563898283.db2.gz NSSLLYQBPSVNKL-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncccn1 ZINC000006913097 563899256 /nfs/dbraw/zinc/89/92/56/563899256.db2.gz QUTMTVJYOPEAKY-QWHCGFSZSA-N 0 0 315.442 4.109 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncccn1 ZINC000006913104 563899272 /nfs/dbraw/zinc/89/92/72/563899272.db2.gz QUTMTVJYOPEAKY-STQMWFEESA-N 0 0 315.442 4.109 50 0 DIAARN O=C(NCc1ccco1)c1ccc(-n2ccc3ccccc32)s1 ZINC000006913917 563899417 /nfs/dbraw/zinc/89/94/17/563899417.db2.gz CHJGRJOKIJXJGC-UHFFFAOYSA-N 0 0 322.389 4.215 50 0 DIAARN CCc1nc2cc(-c3noc(-c4ccccc4F)n3)ccc2o1 ZINC000065149802 563899786 /nfs/dbraw/zinc/89/97/86/563899786.db2.gz HXBNKBGPYFTYLH-UHFFFAOYSA-N 0 0 309.300 4.246 50 0 DIAARN Cc1nc(-c2ccc(-n3nncc3-c3cccs3)cc2)cs1 ZINC000006934408 563899811 /nfs/dbraw/zinc/89/98/11/563899811.db2.gz YUQPRRNDPAYQKI-UHFFFAOYSA-N 0 0 324.434 4.428 50 0 DIAARN O=C(NC1CCCCCC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942254 563900005 /nfs/dbraw/zinc/90/00/05/563900005.db2.gz LDBPIHPFSISDSN-UHFFFAOYSA-N 0 0 317.820 4.183 50 0 DIAARN CC(=O)Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 ZINC000006949846 563900630 /nfs/dbraw/zinc/90/06/30/563900630.db2.gz ZCUQXYLNTJAWPQ-UHFFFAOYSA-N 0 0 309.394 4.160 50 0 DIAARN O=C(c1ccccc1)N1CCC(CCOc2ccccc2)CC1 ZINC000065180590 563900661 /nfs/dbraw/zinc/90/06/61/563900661.db2.gz XMGAMHFXXAXGQA-UHFFFAOYSA-N 0 0 309.409 4.008 50 0 DIAARN CC(C)(C)C(=O)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180443 563900670 /nfs/dbraw/zinc/90/06/70/563900670.db2.gz VXYPWGPPSALZTG-UHFFFAOYSA-N 0 0 321.436 4.017 50 0 DIAARN CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2cccnc21 ZINC000065216659 563900968 /nfs/dbraw/zinc/90/09/68/563900968.db2.gz KWLDILYNZUBXLY-UHFFFAOYSA-N 0 0 313.788 4.270 50 0 DIAARN CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1 ZINC000006982097 563900976 /nfs/dbraw/zinc/90/09/76/563900976.db2.gz YJMFNWWMPNXCIT-FZKQIMNGSA-N 0 0 311.381 4.472 50 0 DIAARN C[C@H](NC(=O)COc1cccc(C(C)(C)C)c1)c1ccccc1 ZINC000007975938 563901048 /nfs/dbraw/zinc/90/10/48/563901048.db2.gz GVJFZCGEQLOCRH-HNNXBMFYSA-N 0 0 311.425 4.240 50 0 DIAARN CC(=O)c1c(C)cc(C)c(CSC(=S)N2CCCC2)c1C ZINC000169898900 563901328 /nfs/dbraw/zinc/90/13/28/563901328.db2.gz HMNOMIOSWSHERF-UHFFFAOYSA-N 0 0 321.511 4.428 50 0 DIAARN O=C(NCc1cccs1)c1cc2cn(C3CC3)cc2s1 ZINC000065285625 563902269 /nfs/dbraw/zinc/90/22/69/563902269.db2.gz WUXXGOTZFDIXCC-UHFFFAOYSA-N 0 0 302.424 4.029 50 0 DIAARN O=C(OCc1ccccc1OC(F)F)c1c[nH]c2ccccc21 ZINC000036710057 563903661 /nfs/dbraw/zinc/90/36/61/563903661.db2.gz DRKGMPUFJVSATR-UHFFFAOYSA-N 0 0 317.291 4.126 50 0 DIAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000253604735 563903878 /nfs/dbraw/zinc/90/38/78/563903878.db2.gz WRWBCPJQPDHXTJ-YBRIYBKASA-N 0 0 304.474 4.061 50 0 DIAARN Fc1cc(F)c2c(c1)CCCN2Cc1nc2ccccc2o1 ZINC000036754167 563903975 /nfs/dbraw/zinc/90/39/75/563903975.db2.gz FPPMYRIJNRUICO-UHFFFAOYSA-N 0 0 300.308 4.059 50 0 DIAARN O=C(CCC1CCCC1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000036739609 563903998 /nfs/dbraw/zinc/90/39/98/563903998.db2.gz ZNMPBQHHYRDSDW-GOSISDBHSA-N 0 0 317.429 4.153 50 0 DIAARN Cc1nc2sc3c(c2c(N[C@@H](C)c2cccnc2)n1)CCC3 ZINC000007191767 563904280 /nfs/dbraw/zinc/90/42/80/563904280.db2.gz BMRVPNPVUSOZCW-JTQLQIEISA-N 0 0 310.426 4.057 50 0 DIAARN C[C@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007222360 563904580 /nfs/dbraw/zinc/90/45/80/563904580.db2.gz UHHOAALKKLOJMA-JTQLQIEISA-N 0 0 309.196 4.433 50 0 DIAARN Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccsc3)o2)cc1 ZINC000007225965 563904616 /nfs/dbraw/zinc/90/46/16/563904616.db2.gz FFVQUCNSMHYICA-LLVKDONJSA-N 0 0 314.366 4.025 50 0 DIAARN C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007222362 563904631 /nfs/dbraw/zinc/90/46/31/563904631.db2.gz UHHOAALKKLOJMA-SNVBAGLBSA-N 0 0 309.196 4.433 50 0 DIAARN C[C@@H]1CN(c2cc(-c3ccccc3)c3ccccc3n2)CCO1 ZINC000065515819 563905176 /nfs/dbraw/zinc/90/51/76/563905176.db2.gz XNUSTRBYDCGTLE-OAHLLOKOSA-N 0 0 304.393 4.127 50 0 DIAARN O=C(OCc1nc2ccccc2s1)C1(c2ccccc2)CC1 ZINC000007397280 563905874 /nfs/dbraw/zinc/90/58/74/563905874.db2.gz GQVPKLXFDMQDAB-UHFFFAOYSA-N 0 0 309.390 4.071 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)CCOc1ccccc1C ZINC000007406845 563905966 /nfs/dbraw/zinc/90/59/66/563905966.db2.gz IFEUPXNDRJCGFN-UHFFFAOYSA-N 0 0 303.789 4.364 50 0 DIAARN Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000007420724 563906207 /nfs/dbraw/zinc/90/62/07/563906207.db2.gz IAANOABPNAFBPR-AWEZNQCLSA-N 0 0 316.832 4.107 50 0 DIAARN Cc1cccc(-c2noc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2)c1 ZINC000007424954 563906229 /nfs/dbraw/zinc/90/62/29/563906229.db2.gz SBIWVABDEDKOKL-UHFFFAOYSA-N 0 0 320.327 4.241 50 0 DIAARN C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1ccc(F)cc1F ZINC000170592783 563906631 /nfs/dbraw/zinc/90/66/31/563906631.db2.gz AMWIJYVHPIIGFY-WIUDPPPLSA-N 0 0 309.381 4.016 50 0 DIAARN Fc1ccc(CNc2cc(C(F)(F)F)ccn2)c2ncccc12 ZINC000170597587 563907081 /nfs/dbraw/zinc/90/70/81/563907081.db2.gz JYCIJIBGPGZHAT-UHFFFAOYSA-N 0 0 321.277 4.400 50 0 DIAARN Cc1ccc(-c2nnc(COCc3ccc(Cl)cc3)o2)cc1 ZINC000170604734 563907381 /nfs/dbraw/zinc/90/73/81/563907381.db2.gz CXMPDRKPMDLZTA-UHFFFAOYSA-N 0 0 314.772 4.415 50 0 DIAARN CCC(CC)(CC)S(=O)(=O)Cc1csc(C(C)(C)C)n1 ZINC000170614028 563908008 /nfs/dbraw/zinc/90/80/08/563908008.db2.gz OLJRIBOOWAUWJZ-UHFFFAOYSA-N 0 0 317.520 4.324 50 0 DIAARN CCOc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(C)=O)c1 ZINC000170612447 563908088 /nfs/dbraw/zinc/90/80/88/563908088.db2.gz IYPUSKDRQRBGPP-HXUWFJFHSA-N 0 0 322.408 4.091 50 0 DIAARN CC[C@H](c1ccccc1)[S@@](=O)Cc1ncc(C)c(OC)c1C ZINC000170615917 563908372 /nfs/dbraw/zinc/90/83/72/563908372.db2.gz JTOBSJIPDDZKNT-VGSWGCGISA-N 0 0 317.454 4.107 50 0 DIAARN CC(=O)c1ccc(O[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000170616296 563908470 /nfs/dbraw/zinc/90/84/70/563908470.db2.gz IHCRYMURHLKDRB-CYBMUJFWSA-N 0 0 308.337 4.079 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C ZINC000170616313 563908490 /nfs/dbraw/zinc/90/84/90/563908490.db2.gz YQMIBTAFOBTNQP-GWCFXTLKSA-N 0 0 312.335 4.277 50 0 DIAARN CCC(=O)c1ccc(O[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000170616297 563908491 /nfs/dbraw/zinc/90/84/91/563908491.db2.gz YAZSOHXVWHPKIZ-ZDUSSCGKSA-N 0 0 322.364 4.469 50 0 DIAARN O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1cccs1 ZINC000170618950 563908607 /nfs/dbraw/zinc/90/86/07/563908607.db2.gz CFRGGMDQJBBMOM-OAHLLOKOSA-N 0 0 322.389 4.333 50 0 DIAARN Cc1cc(F)ccc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000007541655 563908689 /nfs/dbraw/zinc/90/86/89/563908689.db2.gz UOJXAMMANWCSIX-UHFFFAOYSA-N 0 0 301.361 4.311 50 0 DIAARN CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626799 563908717 /nfs/dbraw/zinc/90/87/17/563908717.db2.gz XXZDGZIGFCUFPB-MJGOQNOKSA-N 0 0 305.462 4.073 50 0 DIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1csc(C2CC2)n1 ZINC000170626306 563908866 /nfs/dbraw/zinc/90/88/66/563908866.db2.gz FFEXTVVGVFLXCH-NRWUCQMLSA-N 0 0 321.490 4.205 50 0 DIAARN Cc1nc2ccccc2nc1NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000170631084 563908935 /nfs/dbraw/zinc/90/89/35/563908935.db2.gz SBMSLOVVLUKWBL-YOEHRIQHSA-N 0 0 313.445 4.191 50 0 DIAARN CC(C)Oc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217300 563909225 /nfs/dbraw/zinc/90/92/25/563909225.db2.gz QHDNNEOAUFFGGH-UHFFFAOYSA-N 0 0 312.394 4.336 50 0 DIAARN CCc1cccc2sc(NC(=O)Cc3cccs3)nc21 ZINC000010060559 563909323 /nfs/dbraw/zinc/90/93/23/563909323.db2.gz UFHGFLPLMVWFBY-UHFFFAOYSA-N 0 0 302.424 4.101 50 0 DIAARN COc1ccccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013744579 563909866 /nfs/dbraw/zinc/90/98/66/563909866.db2.gz UWAJHPNOCXCSMU-SECBINFHSA-N 0 0 310.806 4.293 50 0 DIAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000014255847 563910452 /nfs/dbraw/zinc/91/04/52/563910452.db2.gz LXYKXNUEOQQJFS-UHFFFAOYSA-N 0 0 323.845 4.402 50 0 DIAARN O=C(NOCc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000014601576 563910784 /nfs/dbraw/zinc/91/07/84/563910784.db2.gz IKMWPGCSZAXQHJ-UHFFFAOYSA-N 0 0 319.360 4.341 50 0 DIAARN O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc2c(c1)CCCC2 ZINC000089780572 563911251 /nfs/dbraw/zinc/91/12/51/563911251.db2.gz MDHCZKAHKVDHEH-UHFFFAOYSA-N 0 0 317.392 4.208 50 0 DIAARN O=C(Nc1c(F)cccc1NC1CC1)c1cccc2cc[nH]c21 ZINC000089807892 563911566 /nfs/dbraw/zinc/91/15/66/563911566.db2.gz NEHBHCXECNLDHY-UHFFFAOYSA-N 0 0 309.344 4.134 50 0 DIAARN COc1ccccc1[C@@H](C)SCc1nnc(-c2ccco2)o1 ZINC000076065285 563912051 /nfs/dbraw/zinc/91/20/51/563912051.db2.gz FHKCBFQJVNHXPG-LLVKDONJSA-N 0 0 316.382 4.333 50 0 DIAARN CCC(=O)Nc1ccc(C)c(NCc2csc(C3CC3)n2)c1 ZINC000089941774 563912315 /nfs/dbraw/zinc/91/23/15/563912315.db2.gz VOFCXNLAFIMLFI-UHFFFAOYSA-N 0 0 315.442 4.290 50 0 DIAARN Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1CCC(C)C ZINC000014737635 563912656 /nfs/dbraw/zinc/91/26/56/563912656.db2.gz XKTVCRZPARWOQT-UHFFFAOYSA-N 0 0 323.440 4.384 50 0 DIAARN O=Cc1ccc(SCCSc2ccc(C=O)s2)s1 ZINC000002090299 563913913 /nfs/dbraw/zinc/91/39/13/563913913.db2.gz LNBYVCIUQGFERF-UHFFFAOYSA-N 0 0 314.478 4.319 50 0 biogenic DIAARN CCCCc1noc(CN2CCC[C@@H]2c2cccc(C)c2C)n1 ZINC000170639776 563913920 /nfs/dbraw/zinc/91/39/20/563913920.db2.gz CRFTUFRKYISTMA-QGZVFWFLSA-N 0 0 313.445 4.366 50 0 DIAARN CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccccn1 ZINC000002082556 563914037 /nfs/dbraw/zinc/91/40/37/563914037.db2.gz CZBVDZATWDYNOA-DHZHZOJOSA-N 0 0 322.437 4.166 50 0 DIAARN Cc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)o1 ZINC000002109684 563914141 /nfs/dbraw/zinc/91/41/41/563914141.db2.gz KSIOCLDAHJHVIW-ZAHGZRRWSA-N 0 0 322.408 4.456 50 0 biogenic DIAARN CCCCCOc1ccc2c(C)cc(=O)oc2c1C(=O)CC ZINC000002139715 563915451 /nfs/dbraw/zinc/91/54/51/563915451.db2.gz BKEZBCOYTHXPHD-UHFFFAOYSA-N 0 0 302.370 4.263 50 0 biogenic DIAARN Cc1ccc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)c(C)c1 ZINC000007595986 563915504 /nfs/dbraw/zinc/91/55/04/563915504.db2.gz PVLBEAHKEDNCOI-UHFFFAOYSA-N 0 0 324.811 4.229 50 0 DIAARN NC(=O)[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002173564 563915605 /nfs/dbraw/zinc/91/56/05/563915605.db2.gz CQNVIGGYUXKNSD-SFTDATJTSA-N 0 0 315.416 4.282 50 0 DIAARN Cc1cc(F)ccc1Oc1cc(N(C)C2CCCCC2)ncn1 ZINC000037377059 563915619 /nfs/dbraw/zinc/91/56/19/563915619.db2.gz RXWZEJUUUAFXBR-UHFFFAOYSA-N 0 0 315.392 4.485 50 0 DIAARN O=C(CCNc1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000002522049 563915778 /nfs/dbraw/zinc/91/57/78/563915778.db2.gz OJPOSRJENOZSKA-UHFFFAOYSA-N 0 0 319.360 4.253 50 0 DIAARN COC1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000252487136 563915871 /nfs/dbraw/zinc/91/58/71/563915871.db2.gz SFEQGQWRQUKZNP-VBWXLCSBSA-N 0 0 307.478 4.009 50 0 DIAARN COC1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000252487135 563915927 /nfs/dbraw/zinc/91/59/27/563915927.db2.gz SFEQGQWRQUKZNP-HYLCPLCXSA-N 0 0 307.478 4.009 50 0 DIAARN O=C(c1coc(C2CCC2)n1)N1CCCC[C@@H]2CCCC[C@H]21 ZINC000252494212 563916179 /nfs/dbraw/zinc/91/61/79/563916179.db2.gz NOLQXQMHNAGDKO-XJKSGUPXSA-N 0 0 302.418 4.127 50 0 DIAARN Cc1noc(C)c1-c1csc(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000252500657 563916306 /nfs/dbraw/zinc/91/63/06/563916306.db2.gz SZWWYDHAEDVFOE-UHFFFAOYSA-N 0 0 322.430 4.034 50 0 DIAARN C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000252516513 563916649 /nfs/dbraw/zinc/91/66/49/563916649.db2.gz SZISVOIEURWTSH-FZCLSBEQSA-N 0 0 307.478 4.151 50 0 DIAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1ccc2[nH]c(C)cc2c1 ZINC000170650943 563916913 /nfs/dbraw/zinc/91/69/13/563916913.db2.gz DGNLMKKVTUNUOH-YOEHRIQHSA-N 0 0 313.445 4.068 50 0 DIAARN C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000007608577 563917213 /nfs/dbraw/zinc/91/72/13/563917213.db2.gz BUEPNGAUAHIISN-AWEZNQCLSA-N 0 0 322.433 4.230 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000007656371 563917689 /nfs/dbraw/zinc/91/76/89/563917689.db2.gz AJOVWCKNGYXWDX-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000007644693 563917751 /nfs/dbraw/zinc/91/77/51/563917751.db2.gz PPMBJLJLCKITNH-YQJFHSMKSA-N 0 0 315.800 4.239 50 0 DIAARN CCC[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007688777 563917894 /nfs/dbraw/zinc/91/78/94/563917894.db2.gz QDTAUWRHINJFPM-SECBINFHSA-N 0 0 310.369 4.463 50 0 DIAARN CC(=O)Nc1ccc(SCCCOc2ccc(F)cc2)cc1 ZINC000007705255 563918064 /nfs/dbraw/zinc/91/80/64/563918064.db2.gz JSTWYPNMOZNGES-UHFFFAOYSA-N 0 0 319.401 4.345 50 0 DIAARN CCN(C(=O)[C@@H]1CC=CCC1)c1nc2c(cccc2C)s1 ZINC000007719546 563918087 /nfs/dbraw/zinc/91/80/87/563918087.db2.gz PIIGNLBHFPPSHY-CYBMUJFWSA-N 0 0 300.427 4.314 50 0 DIAARN Cc1ccccc1Cn1c(C(=O)NCC2CC2)cc2sccc21 ZINC000037525383 563918204 /nfs/dbraw/zinc/91/82/04/563918204.db2.gz LZVNEHXVEZUXBR-UHFFFAOYSA-N 0 0 324.449 4.199 50 0 DIAARN CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1C ZINC000037526504 563918313 /nfs/dbraw/zinc/91/83/13/563918313.db2.gz NEYGKUMEQXCAQK-UHFFFAOYSA-N 0 0 312.438 4.118 50 0 DIAARN Cc1cc2nc(NCCCc3ccccc3)c3ccccc3n2n1 ZINC000007735845 563918470 /nfs/dbraw/zinc/91/84/70/563918470.db2.gz NRMTWTJOACFREM-UHFFFAOYSA-N 0 0 316.408 4.236 50 0 DIAARN CCCn1c(C(=O)NCc2cccc(C)c2)cc2sccc21 ZINC000037525775 563918481 /nfs/dbraw/zinc/91/84/81/563918481.db2.gz ODXVESKUPKJYCP-UHFFFAOYSA-N 0 0 312.438 4.351 50 0 DIAARN CN(Cc1ccccc1)C(=O)c1cc2sccc2n1CC1CC1 ZINC000037525770 563918486 /nfs/dbraw/zinc/91/84/86/563918486.db2.gz RKSPLIFVZKPRKH-UHFFFAOYSA-N 0 0 324.449 4.385 50 0 DIAARN CCCn1c(NC(=O)c2ccc(Cl)s2)nc2ccccc21 ZINC000007738424 563918619 /nfs/dbraw/zinc/91/86/19/563918619.db2.gz GHESQYLJFMZGII-UHFFFAOYSA-N 0 0 319.817 4.414 50 0 DIAARN O=C(Nc1cccc2ncccc21)c1cc2c(s1)CCCC2 ZINC000007757840 563918840 /nfs/dbraw/zinc/91/88/40/563918840.db2.gz ULTTXECMKCNUNK-UHFFFAOYSA-N 0 0 308.406 4.427 50 0 DIAARN CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000007777571 563919088 /nfs/dbraw/zinc/91/90/88/563919088.db2.gz QSRDHHUJTMYHRQ-CYBMUJFWSA-N 0 0 301.411 4.123 50 0 DIAARN COc1ccc(C)cc1[C@H](C)Nc1cccc(C[S@](C)=O)c1 ZINC000195552460 563919618 /nfs/dbraw/zinc/91/96/18/563919618.db2.gz FFQMDSAUTCKVOO-FPTDNZKUSA-N 0 0 317.454 4.055 50 0 DIAARN CCOc1ccc(Nc2nc3cc(C)nn3c3ccccc32)cc1 ZINC000007813830 563920001 /nfs/dbraw/zinc/92/00/01/563920001.db2.gz IVUIVWBTAJNLKN-UHFFFAOYSA-N 0 0 318.380 4.333 50 0 DIAARN CCCCCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O ZINC000002227502 563920221 /nfs/dbraw/zinc/92/02/21/563920221.db2.gz JMTXHWCMBVTKGG-UHFFFAOYSA-N 0 0 316.397 4.192 50 0 DIAARN CC(=O)N1N=C2/C(=C\c3ccco3)C[C@H](C)C[C@@H]2[C@H]1c1ccco1 ZINC000252635946 563920235 /nfs/dbraw/zinc/92/02/35/563920235.db2.gz XCUSOXGYBWDEPN-XFHPDQNUSA-N 0 0 324.380 4.262 50 0 DIAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(Cl)c1)c1ccccc1O2 ZINC000000422924 563920609 /nfs/dbraw/zinc/92/06/09/563920609.db2.gz JFOXHAYEZIEUTA-RHSMWYFYSA-N 0 0 314.772 4.110 50 0 DIAARN Cc1nc(COc2ccc(C(=O)Nc3ccccc3)cc2)cs1 ZINC000007917999 563920641 /nfs/dbraw/zinc/92/06/41/563920641.db2.gz ISYOAOFCKYQNGJ-UHFFFAOYSA-N 0 0 324.405 4.283 50 0 DIAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C1CC1 ZINC000002972320 563920778 /nfs/dbraw/zinc/92/07/78/563920778.db2.gz HVGJAPQYFLIFEO-UHFFFAOYSA-N 0 0 309.394 4.015 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000021796697 563923752 /nfs/dbraw/zinc/92/37/52/563923752.db2.gz RANPPECZMIXAPZ-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036323242 563923843 /nfs/dbraw/zinc/92/38/43/563923843.db2.gz QAAQQTDJEXMIMF-JMQWGRHHSA-N 0 0 318.501 4.307 50 0 DIAARN Nc1ccnc(Cl)c1Sc1ccc(Br)cc1 ZINC000116985603 563924158 /nfs/dbraw/zinc/92/41/58/563924158.db2.gz DUISLAFDHVWKJR-UHFFFAOYSA-N 0 0 315.623 4.231 50 0 DIAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]21 ZINC000101362973 563924238 /nfs/dbraw/zinc/92/42/38/563924238.db2.gz AZQAIRJYCUWZPD-LASHMREHSA-N 0 0 300.442 4.302 50 0 DIAARN Cc1ccc(CC(=O)OC2c3ccccc3-c3ccccc32)cn1 ZINC000253416702 563924971 /nfs/dbraw/zinc/92/49/71/563924971.db2.gz AYRWASYVHXHSAA-UHFFFAOYSA-N 0 0 315.372 4.246 50 0 DIAARN O=C(c1scnc1C1CC1)N1CCCC[C@@H]2CCCC[C@@H]21 ZINC000253393717 563925013 /nfs/dbraw/zinc/92/50/13/563925013.db2.gz BCQIEUJZBNKBJO-JSGCOSHPSA-N 0 0 304.459 4.205 50 0 DIAARN Cc1nnc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)s1 ZINC000253418510 563925209 /nfs/dbraw/zinc/92/52/09/563925209.db2.gz UZEHDDLEGXFCJB-INIZCTEOSA-N 0 0 312.442 4.055 50 0 DIAARN CNC(=S)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 ZINC000055004165 563925931 /nfs/dbraw/zinc/92/59/31/563925931.db2.gz XELHZBZCDXVUCX-UHFFFAOYSA-N 0 0 310.344 4.289 50 0 DIAARN CCCCC[C@@H]1C[C@H](CSc2nc3ccccc3[nH]2)OC1=O ZINC000002375186 563927399 /nfs/dbraw/zinc/92/73/99/563927399.db2.gz OTOSIXWPCRAVKE-CHWSQXEVSA-N 0 0 318.442 4.167 50 0 DIAARN CCCCc1ccc(NC(=O)CSc2ccccn2)cc1 ZINC000002383575 563927653 /nfs/dbraw/zinc/92/76/53/563927653.db2.gz HZVJHVBRYMUCST-UHFFFAOYSA-N 0 0 300.427 4.155 50 0 DIAARN Cc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000002383604 563927685 /nfs/dbraw/zinc/92/76/85/563927685.db2.gz HRHWSKDJNXJDIB-MDZDMXLPSA-N 0 0 318.420 4.157 50 0 DIAARN COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H]1c1ccccc1 ZINC000009957599 563927838 /nfs/dbraw/zinc/92/78/38/563927838.db2.gz IJOXGYSJAWRKIS-BPOBUFBUSA-N 0 0 321.420 4.381 50 0 DIAARN CC(C)Cc1nc2oc3c(ncnc3Cl)c2c2c1CCC2 ZINC000002431106 563928438 /nfs/dbraw/zinc/92/84/38/563928438.db2.gz KJJKBBDXEGRDQY-UHFFFAOYSA-N 0 0 301.777 4.112 50 0 DIAARN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCC1 ZINC000002439515 563928682 /nfs/dbraw/zinc/92/86/82/563928682.db2.gz HGYCGVOHLDICRQ-UHFFFAOYSA-N 0 0 320.440 4.176 50 0 DIAARN CCCN(CCC)C(=O)C[C@@H](c1ccc(OC)cc1)C(C)C ZINC000002447816 563928851 /nfs/dbraw/zinc/92/88/51/563928851.db2.gz FPYQXZODMUJRPI-GOSISDBHSA-N 0 0 305.462 4.474 50 0 DIAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1Cl ZINC000012815347 563928911 /nfs/dbraw/zinc/92/89/11/563928911.db2.gz UDBCRVGFTYBTQA-CQSZACIVSA-N 0 0 303.814 4.307 50 0 DIAARN COc1cccc(CNC(=O)c2ccc(-c3ccsc3)cc2)c1 ZINC000013359933 563929520 /nfs/dbraw/zinc/92/95/20/563929520.db2.gz RLKQOUXFKIIVRS-UHFFFAOYSA-N 0 0 323.417 4.354 50 0 biogenic DIAARN CC[C@@H](C)NC(=O)[C@H](C)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369652 563929525 /nfs/dbraw/zinc/92/95/25/563929525.db2.gz ZKTFSEXFCKXXQS-CABCVRRESA-N 0 0 321.424 4.179 50 0 DIAARN Cc1nc(NC2CC2)sc1C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000078995620 563930054 /nfs/dbraw/zinc/93/00/54/563930054.db2.gz WVGZKJIDPKCBJQ-ZDUSSCGKSA-N 0 0 321.490 4.067 50 0 DIAARN C[C@@H](Sc1nnc(N)s1)[C@H](C)c1nc2ccccc2s1 ZINC000079020073 563930272 /nfs/dbraw/zinc/93/02/72/563930272.db2.gz LREUHJGXGSXFBH-JGVFFNPUSA-N 0 0 322.484 4.014 50 0 DIAARN Cc1nc(C(=O)Nc2ccccc2O)c(-c2ccccc2)s1 ZINC000079487415 563930395 /nfs/dbraw/zinc/93/03/95/563930395.db2.gz NUALHNJOERGZOS-UHFFFAOYSA-N 0 0 310.378 4.076 50 0 DIAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1 ZINC000079112285 563930509 /nfs/dbraw/zinc/93/05/09/563930509.db2.gz PCVMAMYJBRNRIM-INIZCTEOSA-N 0 0 322.389 4.333 50 0 DIAARN O=C1CS[C@H](c2cccs2)c2cnn(C3CCCC3)c2N1 ZINC000079487489 563930549 /nfs/dbraw/zinc/93/05/49/563930549.db2.gz BQYUHDAMYNOLHG-AWEZNQCLSA-N 0 0 319.455 4.484 50 0 DIAARN O=C(NC1(c2cccs2)CCCC1)c1ccc(F)c(F)c1 ZINC000390827362 563930691 /nfs/dbraw/zinc/93/06/91/563930691.db2.gz GNZQURXGLFDRRZ-UHFFFAOYSA-N 0 0 307.365 4.226 50 0 DIAARN Cc1nnc(CN[C@@H](Cc2ccccc2)c2ccc(C)c(C)c2)o1 ZINC000390833276 563930748 /nfs/dbraw/zinc/93/07/48/563930748.db2.gz FMDVHXFCYAJDJI-IBGZPJMESA-N 0 0 321.424 4.068 50 0 DIAARN CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(CC)cc1 ZINC000095116016 563930984 /nfs/dbraw/zinc/93/09/84/563930984.db2.gz DEOULWKBCMJHEG-QGZVFWFLSA-N 0 0 310.397 4.320 50 0 DIAARN FC(F)(F)[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 ZINC000095348770 563931152 /nfs/dbraw/zinc/93/11/52/563931152.db2.gz CCZLFZWMSBFUDA-JTQLQIEISA-N 0 0 316.348 4.177 50 0 DIAARN Cc1nc(-c2cccc(NC(=O)c3ccc[nH]c3=S)c2)[nH]c1C ZINC000095350960 563931173 /nfs/dbraw/zinc/93/11/73/563931173.db2.gz SOEPHSVYNRJSEY-UHFFFAOYSA-N 0 0 324.409 4.003 50 0 DIAARN CCCn1cc(C(=O)N2CCn3cccc3[C@@H]2C)c2ccccc21 ZINC000095369514 563931219 /nfs/dbraw/zinc/93/12/19/563931219.db2.gz NVOXEAAKWWBVHW-HNNXBMFYSA-N 0 0 321.424 4.070 50 0 DIAARN Cc1ccccc1[C@H](NCc1ncnn1C(C)C)C(C)(C)C ZINC000279825231 563931651 /nfs/dbraw/zinc/93/16/51/563931651.db2.gz YZVGZCQPFOUGFV-KRWDZBQOSA-N 0 0 300.450 4.044 50 0 DIAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000020511961 563931679 /nfs/dbraw/zinc/93/16/79/563931679.db2.gz PZPBGQZCWURSNJ-WOSRLPQWSA-N 0 0 314.429 4.089 50 0 DIAARN Cc1ccccc1NC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000020985427 563931777 /nfs/dbraw/zinc/93/17/77/563931777.db2.gz FTIKFENTTJICIH-OAHLLOKOSA-N 0 0 307.397 4.016 50 0 DIAARN Cc1cnc(CNC(C)(C)c2c(Cl)cccc2Cl)cn1 ZINC000095947877 563932175 /nfs/dbraw/zinc/93/21/75/563932175.db2.gz ZOUJCUHUOOZHAR-UHFFFAOYSA-N 0 0 310.228 4.117 50 0 DIAARN Cc1ccc2oc(C(=O)c3sccc3Br)cc2n1 ZINC000095947881 563932260 /nfs/dbraw/zinc/93/22/60/563932260.db2.gz DXBGTGBMHLTQNI-UHFFFAOYSA-N 0 0 322.183 4.191 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc2[nH]ccc2c1 ZINC000095959225 563932569 /nfs/dbraw/zinc/93/25/69/563932569.db2.gz YPQGMJDRWFPBDU-HUUCEWRRSA-N 0 0 321.424 4.154 50 0 DIAARN CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(F)cc(F)cc1F ZINC000095964190 563932694 /nfs/dbraw/zinc/93/26/94/563932694.db2.gz XDRBROUNSWLTBU-CQSZACIVSA-N 0 0 323.314 4.208 50 0 DIAARN CCc1cnc([C@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968984 563933399 /nfs/dbraw/zinc/93/33/99/563933399.db2.gz OZBQXVAJJNGJFW-RYUDHWBXSA-N 0 0 317.458 4.076 50 0 DIAARN CCc1cnc([C@@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968985 563933421 /nfs/dbraw/zinc/93/34/21/563933421.db2.gz OZBQXVAJJNGJFW-VXGBXAGGSA-N 0 0 317.458 4.076 50 0 DIAARN CCc1ncsc1C(=O)N(CC)Cc1ccccc1Cl ZINC000095972767 563933751 /nfs/dbraw/zinc/93/37/51/563933751.db2.gz LOFSPQMYFOPFQD-UHFFFAOYSA-N 0 0 308.834 4.021 50 0 DIAARN OCc1ccc(Cl)c(NCc2csc(-c3ccco3)n2)c1 ZINC000095981701 563933835 /nfs/dbraw/zinc/93/38/35/563933835.db2.gz IMQPLYOWBQOGKL-UHFFFAOYSA-N 0 0 320.801 4.161 50 0 DIAARN Cc1cnc([C@H](C)NCc2ccc(SC(F)(F)F)cc2)o1 ZINC000096003616 563934706 /nfs/dbraw/zinc/93/47/06/563934706.db2.gz FJHVYSMRIPFRDA-JTQLQIEISA-N 0 0 316.348 4.446 50 0 DIAARN Cc1cnc([C@@H](C)NCc2ccc(SC(F)(F)F)cc2)o1 ZINC000096003615 563934711 /nfs/dbraw/zinc/93/47/11/563934711.db2.gz FJHVYSMRIPFRDA-SNVBAGLBSA-N 0 0 316.348 4.446 50 0 DIAARN CSc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000002632369 563939691 /nfs/dbraw/zinc/93/96/91/563939691.db2.gz SRWHIXYPWVPPPP-UHFFFAOYSA-N 0 0 313.209 4.363 50 0 DIAARN CCC[C@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 ZINC000096116153 563935459 /nfs/dbraw/zinc/93/54/59/563935459.db2.gz LKTSPRMRMRAWMK-IBGZPJMESA-N 0 0 321.461 4.394 50 0 biogenic DIAARN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1ccco1 ZINC000096117134 563935501 /nfs/dbraw/zinc/93/55/01/563935501.db2.gz QSNISCADEPYPQK-CQSZACIVSA-N 0 0 314.772 4.222 50 0 DIAARN CO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1C ZINC000096105181 563935512 /nfs/dbraw/zinc/93/55/12/563935512.db2.gz IKRYAWMCZHBBAP-SFHVURJKSA-N 0 0 312.413 4.121 50 0 DIAARN C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 ZINC000096183950 563935825 /nfs/dbraw/zinc/93/58/25/563935825.db2.gz FACWEGAGIFSMGG-LBPRGKRZSA-N 0 0 303.333 4.083 50 0 DIAARN Cc1nc(NC(=O)c2cc(-c3ccco3)cs2)sc1C ZINC000096183671 563935870 /nfs/dbraw/zinc/93/58/70/563935870.db2.gz LKUBDJUPHNGAGV-UHFFFAOYSA-N 0 0 304.396 4.334 50 0 DIAARN O=C(Nc1ccccc1F)N1Cc2cccn2-c2ccccc21 ZINC000021533974 563936019 /nfs/dbraw/zinc/93/60/19/563936019.db2.gz IALJHUBDLOFBHB-UHFFFAOYSA-N 0 0 307.328 4.169 50 0 DIAARN CC(C)(C)NC(=O)/C=C\c1cccc(OCc2ccccc2)c1 ZINC000096297746 563936210 /nfs/dbraw/zinc/93/62/10/563936210.db2.gz WWUIPAYDJDHRRY-SEYXRHQNSA-N 0 0 309.409 4.194 50 0 DIAARN O=C(Cc1cccc2ccccc21)NCc1cccc(Cl)c1 ZINC000007969072 563936313 /nfs/dbraw/zinc/93/63/13/563936313.db2.gz ZRBUXHRMGHLZLG-UHFFFAOYSA-N 0 0 309.796 4.352 50 0 DIAARN Cc1oc(C)c(C(=O)Nc2nnc(-c3ccsc3)s2)c1C ZINC000096403830 563936565 /nfs/dbraw/zinc/93/65/65/563936565.db2.gz YAFYMNXOQUEUJG-UHFFFAOYSA-N 0 0 319.411 4.037 50 0 DIAARN Cc1cc(N(C)C)ccc1NC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000096401593 563936649 /nfs/dbraw/zinc/93/66/49/563936649.db2.gz FVYFXFWGVDRFIX-KJWBABAPSA-N 0 0 324.424 4.429 50 0 DIAARN COCCCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000096409991 563936759 /nfs/dbraw/zinc/93/67/59/563936759.db2.gz BCHBBAMQSSWHNL-GOSISDBHSA-N 0 0 303.446 4.255 50 0 DIAARN CC(C)[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccccn1 ZINC000096418141 563936984 /nfs/dbraw/zinc/93/69/84/563936984.db2.gz SLQAHQHHISCQMR-GOSISDBHSA-N 0 0 321.424 4.040 50 0 DIAARN Cc1nnc(CCCSc2nc3ccccc3n2C(C)C)o1 ZINC000096488977 563937357 /nfs/dbraw/zinc/93/73/57/563937357.db2.gz VUTQVZKSWLUQCK-UHFFFAOYSA-N 0 0 316.430 4.034 50 0 DIAARN Cc1ccc(-c2csc(N[C@H]3OC(=O)c4ccccc43)n2)cc1 ZINC000002479583 563937978 /nfs/dbraw/zinc/93/79/78/563937978.db2.gz WNRWFAPNPSNQCK-INIZCTEOSA-N 0 0 322.389 4.400 50 0 DIAARN Clc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000055543481 563938479 /nfs/dbraw/zinc/93/84/79/563938479.db2.gz LFLOOYMIFNSBQK-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN O=C(NCc1ccnc(-c2ccsc2)c1)Nc1cccs1 ZINC000225757270 563938574 /nfs/dbraw/zinc/93/85/74/563938574.db2.gz WTEUCBWZBHQRCG-UHFFFAOYSA-N 0 0 315.423 4.193 50 0 DIAARN COc1ccc(C(=O)CCSc2ccc(F)cc2)cc1OC ZINC000002531707 563938636 /nfs/dbraw/zinc/93/86/36/563938636.db2.gz ZYEXSZQYUNSNEE-UHFFFAOYSA-N 0 0 320.385 4.208 50 0 DIAARN Cc1ccc(C(=O)NCc2ccnc(-c3ccsc3)c2)s1 ZINC000225756649 563938672 /nfs/dbraw/zinc/93/86/72/563938672.db2.gz MPRYMECXLRSULL-UHFFFAOYSA-N 0 0 314.435 4.110 50 0 DIAARN Cc1ccc(Cn2ccc(NC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000028225057 563939046 /nfs/dbraw/zinc/93/90/46/563939046.db2.gz WBGBJMKXLRXOBF-UHFFFAOYSA-N 0 0 320.396 4.192 50 0 DIAARN Cc1cccc(OCc2ccc(C(=O)N3CCCCCC3)o2)c1 ZINC000028236296 563939051 /nfs/dbraw/zinc/93/90/51/563939051.db2.gz JVWAGBOEDPXNJG-UHFFFAOYSA-N 0 0 313.397 4.183 50 0 DIAARN Cc1cc(C)c(C(=O)CSc2nc(C)c(C)c(C)n2)cc1C ZINC000002616401 563939317 /nfs/dbraw/zinc/93/93/17/563939317.db2.gz ZOFANEYGHHKWNM-UHFFFAOYSA-N 0 0 314.454 4.302 50 0 DIAARN CCc1cccc(CC)c1NC(=O)CSc1nc(C)cs1 ZINC000002616390 563939334 /nfs/dbraw/zinc/93/93/34/563939334.db2.gz UUGQDEGUZDYCRB-UHFFFAOYSA-N 0 0 320.483 4.307 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000002623140 563939517 /nfs/dbraw/zinc/93/95/17/563939517.db2.gz NMRKTBRQQFKEJR-UHFFFAOYSA-N 0 0 309.287 4.454 50 0 DIAARN Cc1cc(OCC(=O)NC2CCC(C)CC2)ccc1C(C)C ZINC000002633051 563939704 /nfs/dbraw/zinc/93/97/04/563939704.db2.gz CBIYOPDIBPXKKY-UHFFFAOYSA-N 0 0 303.446 4.192 50 0 DIAARN C[C@H]1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1 ZINC000002637595 563939905 /nfs/dbraw/zinc/93/99/05/563939905.db2.gz UDFYBFLQRIRSLV-INIZCTEOSA-N 0 0 324.424 4.068 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000002661070 563940263 /nfs/dbraw/zinc/94/02/63/563940263.db2.gz LHUOLVDDERDQNF-UHFFFAOYSA-N 0 0 313.422 4.158 50 0 DIAARN COc1ccc(-c2cc(C(F)F)n3nc(C)c(Cl)c3n2)cc1 ZINC000002787053 563940722 /nfs/dbraw/zinc/94/07/22/563940722.db2.gz DUZZWNOKTFJBDG-UHFFFAOYSA-N 0 0 323.730 4.304 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 ZINC000002764476 563940779 /nfs/dbraw/zinc/94/07/79/563940779.db2.gz QBWJGSRSFWUICQ-UHFFFAOYSA-N 0 0 320.392 4.250 50 0 DIAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(-c2cccs2)on1 ZINC000002802810 563940879 /nfs/dbraw/zinc/94/08/79/563940879.db2.gz IXBAJVBHVAOOQS-UHFFFAOYSA-N 0 0 324.405 4.305 50 0 DIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(C)ccc1C ZINC000002908256 563941099 /nfs/dbraw/zinc/94/10/99/563941099.db2.gz AIGHFMYHEZQYNM-QGZVFWFLSA-N 0 0 311.429 4.412 50 0 DIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(C)cc(C)c1 ZINC000002908284 563941115 /nfs/dbraw/zinc/94/11/15/563941115.db2.gz QAWSASTULXJGNQ-QGZVFWFLSA-N 0 0 311.429 4.412 50 0 DIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000002908280 563941130 /nfs/dbraw/zinc/94/11/30/563941130.db2.gz IAOHDJHOQUBGAD-QGZVFWFLSA-N 0 0 311.429 4.412 50 0 DIAARN CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000029257966 563941340 /nfs/dbraw/zinc/94/13/40/563941340.db2.gz SXPJHLWYRCVRER-QGZVFWFLSA-N 0 0 301.336 4.114 50 0 DIAARN C[C@@H](NC(=O)CCSCc1ccccc1F)c1ccccc1 ZINC000002953783 563941489 /nfs/dbraw/zinc/94/14/89/563941489.db2.gz LXXATWJJKXEKIH-CQSZACIVSA-N 0 0 317.429 4.326 50 0 DIAARN O=C(Nc1ccccc1)N1CCSc2cc(Cl)ccc21 ZINC000003016146 563941600 /nfs/dbraw/zinc/94/16/00/563941600.db2.gz XNKGDDGQRYAYNK-UHFFFAOYSA-N 0 0 304.802 4.484 50 0 DIAARN Cc1nc2c(s1)[C@H]([N@@H+](C)CCO[C@H]1CCCC[C@@H]1C)CCC2 ZINC000230210237 563942086 /nfs/dbraw/zinc/94/20/86/563942086.db2.gz LLVBLQHSAUHJHY-XKQJLSEDSA-N 0 0 322.518 4.356 50 0 DIAARN CCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000003099670 563942165 /nfs/dbraw/zinc/94/21/65/563942165.db2.gz LWKPYBDUQPQHFT-UHFFFAOYSA-N 0 0 320.400 4.181 50 0 DIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1csc(C2CC2)n1 ZINC000230273150 563942282 /nfs/dbraw/zinc/94/22/82/563942282.db2.gz FFEXTVVGVFLXCH-OWTLIXCDSA-N 0 0 321.490 4.205 50 0 DIAARN COc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003168374 563942551 /nfs/dbraw/zinc/94/25/51/563942551.db2.gz LTSLGXIZIKDRQR-UHFFFAOYSA-N 0 0 323.364 4.191 50 0 DIAARN O=C(c1ccccc1Cl)N(c1ccccn1)c1ccccn1 ZINC000003183459 563942671 /nfs/dbraw/zinc/94/26/71/563942671.db2.gz JRLVUGUDKJZURO-UHFFFAOYSA-N 0 0 309.756 4.109 50 0 DIAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)C1(F)F ZINC000003188830 563942723 /nfs/dbraw/zinc/94/27/23/563942723.db2.gz WJXXJJRRLXZUIF-NSHDSACASA-N 0 0 317.213 4.022 50 0 DIAARN CCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 ZINC000003195033 563942834 /nfs/dbraw/zinc/94/28/34/563942834.db2.gz XFQMIJRZFQHABR-UHFFFAOYSA-N 0 0 312.394 4.256 50 0 DIAARN O=C(OCc1nc2ccccc2s1)c1ccc2ccccc2n1 ZINC000003241207 563943125 /nfs/dbraw/zinc/94/31/25/563943125.db2.gz LGEPDKTVIOSCHO-UHFFFAOYSA-N 0 0 320.373 4.202 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)OCc2cccc(F)c2)c1 ZINC000003258461 563943323 /nfs/dbraw/zinc/94/33/23/563943323.db2.gz PPSWNTKNDWQNDI-UHFFFAOYSA-N 0 0 316.372 4.380 50 0 DIAARN Cc1ccc(C)c(OCCOCCOc2cc(C)ccc2C)c1 ZINC000003260175 563943355 /nfs/dbraw/zinc/94/33/55/563943355.db2.gz GCXSFFOIWMXIFJ-UHFFFAOYSA-N 0 0 314.425 4.395 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CSC(=O)c1ccccc1 ZINC000003275360 563943572 /nfs/dbraw/zinc/94/35/72/563943572.db2.gz XBQWVQRWHLOUTC-UHFFFAOYSA-N 0 0 319.813 4.161 50 0 DIAARN O=C(COC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000003389387 563943829 /nfs/dbraw/zinc/94/38/29/563943829.db2.gz QUDAULYLUPSLGS-UHFFFAOYSA-N 0 0 308.308 4.019 50 0 DIAARN O=C(OCc1c(F)cccc1Cl)c1ccc2ncsc2c1 ZINC000003479289 563944159 /nfs/dbraw/zinc/94/41/59/563944159.db2.gz OLVAYEATBCFMJW-UHFFFAOYSA-N 0 0 321.760 4.446 50 0 DIAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000031092737 563944279 /nfs/dbraw/zinc/94/42/79/563944279.db2.gz XRNLOKJIGQTYDT-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN CCOc1ccccc1C(=O)Nc1ccc(C)c2ncccc12 ZINC000031092123 563944281 /nfs/dbraw/zinc/94/42/81/563944281.db2.gz BSVHKVFBELFETB-UHFFFAOYSA-N 0 0 306.365 4.194 50 0 DIAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000004015071 563944903 /nfs/dbraw/zinc/94/49/03/563944903.db2.gz WYZDXEKUWRCKOB-CZYCJXBPSA-N 0 0 304.474 4.349 50 0 biogenic DIAARN O=C(Nc1ccc2cc[nH]c2c1)c1cccc(-n2cccc2)c1 ZINC000032102802 563945407 /nfs/dbraw/zinc/94/54/07/563945407.db2.gz DHAOWSDWXUBRFR-UHFFFAOYSA-N 0 0 301.349 4.211 50 0 DIAARN COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000007987444 563945931 /nfs/dbraw/zinc/94/59/31/563945931.db2.gz UNADOLPXZRCBGS-KGLIPLIRSA-N 0 0 322.408 4.099 50 0 DIAARN COc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000007990209 563946079 /nfs/dbraw/zinc/94/60/79/563946079.db2.gz SNHRATKOAXSECW-CQSZACIVSA-N 0 0 305.377 4.339 50 0 DIAARN COc1cc(C(=O)N[C@H](c2cccs2)C(C)C)ccc1C ZINC000008013220 563946111 /nfs/dbraw/zinc/94/61/11/563946111.db2.gz OTHUVCSRYHHFBC-INIZCTEOSA-N 0 0 303.427 4.192 50 0 DIAARN Cc1cc(NC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)no1 ZINC000066349149 563946121 /nfs/dbraw/zinc/94/61/21/563946121.db2.gz HPAQXKOPRIIKTO-UHFFFAOYSA-N 0 0 324.340 4.123 50 0 DIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C)cc1C ZINC000008007303 563946168 /nfs/dbraw/zinc/94/61/68/563946168.db2.gz PTDJDTDGLSXZLB-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN C[C@H](C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000263457163 563946186 /nfs/dbraw/zinc/94/61/86/563946186.db2.gz BADSTPLBNYRNMS-WNOSKKOXSA-N 0 0 321.848 4.161 50 0 DIAARN c1csc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)c1 ZINC000008036531 563946257 /nfs/dbraw/zinc/94/62/57/563946257.db2.gz DXBOVOOPHXJJIH-AWEZNQCLSA-N 0 0 311.410 4.135 50 0 DIAARN CSc1cccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)c1 ZINC000008024564 563946276 /nfs/dbraw/zinc/94/62/76/563946276.db2.gz DEBUHFLWVOBJQE-ZDUSSCGKSA-N 0 0 300.427 4.156 50 0 DIAARN O=C(NCC[C@@H](c1ccco1)c1ccc(F)cc1)C1CC=CC1 ZINC000670466119 563946311 /nfs/dbraw/zinc/94/63/11/563946311.db2.gz GSDFQURBVUUIQM-QGZVFWFLSA-N 0 0 313.372 4.023 50 0 DIAARN CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000008048491 563946447 /nfs/dbraw/zinc/94/64/47/563946447.db2.gz XHQXMECZRMNBBT-UHFFFAOYSA-N 0 0 323.502 4.264 50 0 DIAARN Cc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1 ZINC000008060379 563946489 /nfs/dbraw/zinc/94/64/89/563946489.db2.gz INJMMNBTGICPOK-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN c1sc(NC[C@H]2CCCO2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000008133589 563946866 /nfs/dbraw/zinc/94/68/66/563946866.db2.gz KITCCNKZQJEIDJ-GNFNDJEDSA-N 0 0 318.486 4.202 50 0 DIAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)n1cc(Cl)cn1 ZINC000038206502 563946978 /nfs/dbraw/zinc/94/69/78/563946978.db2.gz RUTFKYHFVZZFNU-DUXPYHPUSA-N 0 0 301.560 4.197 50 0 DIAARN Nc1nc(CSc2ccc3ccccc3n2)nc2ccccc12 ZINC000008166099 563947035 /nfs/dbraw/zinc/94/70/35/563947035.db2.gz DNJVPSMABIQTHR-UHFFFAOYSA-N 0 0 318.405 4.053 50 0 DIAARN CC(=O)NCCc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000008208337 563947099 /nfs/dbraw/zinc/94/70/99/563947099.db2.gz XRVHPRQVUXKYPF-UHFFFAOYSA-N 0 0 322.433 4.156 50 0 DIAARN COc1ccc(-c2nnc(-c3cc4ccccc4[nH]3)s2)cc1 ZINC000008209029 563947115 /nfs/dbraw/zinc/94/71/15/563947115.db2.gz UOZXUJMQZRNRSC-UHFFFAOYSA-N 0 0 307.378 4.362 50 0 DIAARN Cc1cc(OCC(=O)NC2CCCCCC2)cc(C(C)C)c1 ZINC000008188841 563947148 /nfs/dbraw/zinc/94/71/48/563947148.db2.gz UDOQSHVNRMMOMG-UHFFFAOYSA-N 0 0 303.446 4.336 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1oc2ccc(F)cc2c1C ZINC000008210426 563947237 /nfs/dbraw/zinc/94/72/37/563947237.db2.gz GBGISQLWMZVJBW-UHFFFAOYSA-N 0 0 313.328 4.450 50 0 DIAARN CCOc1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000008286156 563947597 /nfs/dbraw/zinc/94/75/97/563947597.db2.gz VAWBVKURUCAOBC-UHFFFAOYSA-N 0 0 301.411 4.206 50 0 DIAARN Clc1cccc(CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000008273882 563947603 /nfs/dbraw/zinc/94/76/03/563947603.db2.gz SOJSIDDTILQABX-UHFFFAOYSA-N 0 0 307.831 4.479 50 0 DIAARN C[C@@]1(c2ccccc2)C[C@@]1(Br)[C@H](O)c1ccccc1 ZINC000008299032 563947677 /nfs/dbraw/zinc/94/76/77/563947677.db2.gz PDOVJOSTBJWXKE-IXDOHACOSA-N 0 0 317.226 4.215 50 0 DIAARN Cc1[nH]c2ccc(C(=O)N3CCCc4ccccc43)cc2c1C ZINC000008342301 563947995 /nfs/dbraw/zinc/94/79/95/563947995.db2.gz OZQSHKXWPKLDPZ-UHFFFAOYSA-N 0 0 304.393 4.378 50 0 DIAARN CC(C)COc1cccc(C(=O)NCc2ccccc2Cl)c1 ZINC000008343820 563948056 /nfs/dbraw/zinc/94/80/56/563948056.db2.gz XMEQDZPBZCMEDA-UHFFFAOYSA-N 0 0 317.816 4.305 50 0 DIAARN C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccco1 ZINC000008359977 563948065 /nfs/dbraw/zinc/94/80/65/563948065.db2.gz OUUPKYPYABANAW-OAHLLOKOSA-N 0 0 321.376 4.203 50 0 DIAARN CCOc1ccc2nc(C(=O)OC)cc(Nc3ccccc3)c2c1 ZINC000038487334 563948218 /nfs/dbraw/zinc/94/82/18/563948218.db2.gz KXAHWFPSXXPRJA-UHFFFAOYSA-N 0 0 322.364 4.164 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000008388641 563948281 /nfs/dbraw/zinc/94/82/81/563948281.db2.gz IYSTVDSCZIURKA-MRXNPFEDSA-N 0 0 315.369 4.308 50 0 DIAARN C[C@@H](OC(=O)c1cnc2ccccc2n1)c1ccccc1Cl ZINC000008388650 563948326 /nfs/dbraw/zinc/94/83/26/563948326.db2.gz QWYNBOFFNFTPME-LLVKDONJSA-N 0 0 312.756 4.201 50 0 DIAARN COc1ccc2oc(/C=C/C(=O)Nc3ccccc3F)cc2c1 ZINC000067340011 563948963 /nfs/dbraw/zinc/94/89/63/563948963.db2.gz OPRJUQYFRODIBR-VQHVLOKHSA-N 0 0 311.312 4.232 50 0 DIAARN O=C(c1ccco1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000008586629 563949131 /nfs/dbraw/zinc/94/91/31/563949131.db2.gz GAJLPSNMMBXMRA-UHFFFAOYSA-N 0 0 301.342 4.327 50 0 DIAARN CCCc1cc(=O)[nH]c(SCc2nc3ccccc3s2)n1 ZINC000008665960 563949499 /nfs/dbraw/zinc/94/94/99/563949499.db2.gz XHRJWSHYELOYAT-UHFFFAOYSA-N 0 0 317.439 4.037 50 0 DIAARN Cc1cc(NC(=O)[C@H](Nc2ccc(C)cc2)c2ccccc2)no1 ZINC000008708452 563949962 /nfs/dbraw/zinc/94/99/62/563949962.db2.gz QQBQPEJSQFCEPI-GOSISDBHSA-N 0 0 321.380 4.083 50 0 DIAARN Cc1nc2sc3c(c2c(N[C@H](C)c2ccncc2)n1)CCC3 ZINC000008707362 563950017 /nfs/dbraw/zinc/95/00/17/563950017.db2.gz DPDBQNGMPPLGKN-SNVBAGLBSA-N 0 0 310.426 4.057 50 0 DIAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccco1 ZINC000008725923 563950205 /nfs/dbraw/zinc/95/02/05/563950205.db2.gz UBFKCPPIAVBOEC-UHFFFAOYSA-N 0 0 321.380 4.070 50 0 DIAARN O=C(Nc1ccc(OC(F)F)cc1)c1cccc2ncccc21 ZINC000008726080 563950212 /nfs/dbraw/zinc/95/02/12/563950212.db2.gz ZZRTVEUYGXAGGA-UHFFFAOYSA-N 0 0 314.291 4.089 50 0 DIAARN O=C(c1cc(Cl)sc1Cl)N1CCc2ccccc2C1 ZINC000008748040 563950347 /nfs/dbraw/zinc/95/03/47/563950347.db2.gz UQJJNRXFHVSAGT-UHFFFAOYSA-N 0 0 312.221 4.253 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000008727328 563950353 /nfs/dbraw/zinc/95/03/53/563950353.db2.gz HKMUCEKXHDDZJA-XJKSGUPXSA-N 0 0 314.454 4.048 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000008727327 563950427 /nfs/dbraw/zinc/95/04/27/563950427.db2.gz HKMUCEKXHDDZJA-CZUORRHYSA-N 0 0 314.454 4.048 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccs1 ZINC000008774397 563950739 /nfs/dbraw/zinc/95/07/39/563950739.db2.gz XHSIGAORLUVEMJ-LLVKDONJSA-N 0 0 312.394 4.203 50 0 DIAARN Cc1[nH]c2ccc(F)cc2c1CCCNC(=O)c1cccs1 ZINC000008770056 563950784 /nfs/dbraw/zinc/95/07/84/563950784.db2.gz OBSDWYNRFILXII-UHFFFAOYSA-N 0 0 316.401 4.040 50 0 DIAARN 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304.349 4.357 50 0 DIAARN Cc1ccc(F)cc1NC(=O)/C=C\c1ccc(Br)o1 ZINC000033472102 1052778704 /nfs/dbraw/zinc/77/87/04/1052778704.db2.gz DLZDDDOAAUGPPN-ALCCZGGFSA-N 0 0 324.149 4.142 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000033504662 1052790192 /nfs/dbraw/zinc/79/01/92/1052790192.db2.gz VCAAUMLCWKMYET-GKLCBOSBSA-N 0 0 311.347 4.414 50 0 DIAARN CC[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1cc(F)ccc1F ZINC000179883422 1053034260 /nfs/dbraw/zinc/03/42/60/1053034260.db2.gz RPEABHFHRBUVNV-MRXNPFEDSA-N 0 0 316.351 4.413 50 0 DIAARN CC[C@H](NCc1nc(C(F)(F)F)cs1)c1c(C)noc1C ZINC000182429654 1053432654 /nfs/dbraw/zinc/43/26/54/1053432654.db2.gz OCTXQIJSMFZXLP-VIFPVBQESA-N 0 0 319.352 4.008 50 0 DIAARN Cc1nc(CN[C@H](C)c2nc(C3CCCCC3)no2)sc1C ZINC000185228272 1054482595 /nfs/dbraw/zinc/48/25/95/1054482595.db2.gz FRHKVLCIXATFCF-LLVKDONJSA-N 0 0 320.462 4.041 50 0 DIAARN COc1cc(-c2ccc(N(C)C)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000490929 1055533755 /nfs/dbraw/zinc/53/37/55/1055533755.db2.gz IHLUILYPGWTBNA-UHFFFAOYSA-N 0 0 323.392 4.151 50 0 biogenic DIAARN Cn1cc(CCC(=O)c2cn(C)c3ccccc23)c2ccccc21 ZINC000000490775 1055533930 /nfs/dbraw/zinc/53/39/30/1055533930.db2.gz SFOYHYOTQSCCRR-UHFFFAOYSA-N 0 0 316.404 4.486 50 0 biogenic DIAARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@@]21C ZINC000004023277 1056011975 /nfs/dbraw/zinc/01/19/75/1056011975.db2.gz TTWYUPSVWLOIRF-FZWBFHRNSA-N 0 0 316.441 4.060 50 0 biogenic DIAARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@]2(C)O ZINC000008602993 1056177038 /nfs/dbraw/zinc/17/70/38/1056177038.db2.gz GCKMFJBGXUYNAG-IOXPTURASA-N 0 0 302.458 4.269 50 0 biogenic DIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)c(F)c1 ZINC000253472151 1056279443 /nfs/dbraw/zinc/27/94/43/1056279443.db2.gz JURSWDJLQXRYSK-NSHDSACASA-N 0 0 315.319 4.072 50 0 DIAARN CCCCC(=O)Nc1nn(CCC)c2nc3ccc(C)cc3cc12 ZINC000002371992 1056591007 /nfs/dbraw/zinc/59/10/07/1056591007.db2.gz QDBNYDMBSHIBQA-UHFFFAOYSA-N 0 0 324.428 4.432 50 0 DIAARN COC(=O)c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000034132083 1056706827 /nfs/dbraw/zinc/70/68/27/1056706827.db2.gz DIVCUSLTYRTSJE-UHFFFAOYSA-N 0 0 312.368 4.460 50 0 DIAARN Cc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)o1 ZINC000011844637 1056754246 /nfs/dbraw/zinc/75/42/46/1056754246.db2.gz CCGHXJYGRJEMJW-AWEZNQCLSA-N 0 0 303.427 4.053 50 0 DIAARN O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000011945376 1056872674 /nfs/dbraw/zinc/87/26/74/1056872674.db2.gz LWOVNHBELPOXSV-CYBMUJFWSA-N 0 0 321.392 4.121 50 0 DIAARN N#Cc1cccc(C(=O)N[C@H](c2ccsc2)c2cccs2)c1 ZINC000390826477 1057050050 /nfs/dbraw/zinc/05/00/50/1057050050.db2.gz MESJHWVEVQWYDL-MRXNPFEDSA-N 0 0 324.430 4.201 50 0 DIAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccsc1 ZINC000390826333 1057050070 /nfs/dbraw/zinc/05/00/70/1057050070.db2.gz IIUKKFMNOCBZFS-ZDUSSCGKSA-N 0 0 305.449 4.391 50 0 DIAARN O=C(Nc1ccc2scnc2c1)N1CCC[C@H]1c1ccco1 ZINC000172152543 1057250361 /nfs/dbraw/zinc/25/03/61/1057250361.db2.gz OSJZGZLHFXBBHN-ZDUSSCGKSA-N 0 0 313.382 4.258 50 0 DIAARN O=C(NC[C@@H](c1ccsc1)c1ccco1)Nc1cccs1 ZINC000618256884 1057640076 /nfs/dbraw/zinc/64/00/76/1057640076.db2.gz NFZVRBTYNCXKML-LBPRGKRZSA-N 0 0 318.423 4.356 50 0 DIAARN Fc1ccc([C@@H](Nc2cccc3c2CCCC3)c2cn[nH]n2)cc1 ZINC000562771339 1057695048 /nfs/dbraw/zinc/69/50/48/1057695048.db2.gz WGRMVJJPBKBLFH-LJQANCHMSA-N 0 0 322.387 4.024 50 0 DIAARN CCc1ccccc1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 ZINC000823534730 1057830778 /nfs/dbraw/zinc/83/07/78/1057830778.db2.gz QKSQVYBZWMOSEA-AWEZNQCLSA-N 0 0 322.408 4.017 50 0 DIAARN Cc1ncsc1CCN(C)c1nc(-c2ccccc2)cs1 ZINC001529134272 1058618885 /nfs/dbraw/zinc/61/88/85/1058618885.db2.gz RRSBBGVDLXNUFS-UHFFFAOYSA-N 0 0 315.467 4.254 50 0 DIAARN CCO[C@@H](C)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1 ZINC001506401977 1063506281 /nfs/dbraw/zinc/50/62/81/1063506281.db2.gz HSPBJUQDBAAZLE-HNNXBMFYSA-N 0 0 307.397 4.091 50 0 DIAARN CCO[C@@H](C)c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1 ZINC001506417160 1063506417 /nfs/dbraw/zinc/50/64/17/1063506417.db2.gz OHXHGKDFWLFNPF-AWEZNQCLSA-N 0 0 309.409 4.343 50 0 DIAARN CCO[C@H](C)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1 ZINC001506401983 1063506779 /nfs/dbraw/zinc/50/67/79/1063506779.db2.gz HSPBJUQDBAAZLE-OAHLLOKOSA-N 0 0 307.397 4.091 50 0 DIAARN COc1ccc(Cn2cc(-c3ccc([C@H](C)OC)cc3)cn2)cc1 ZINC001506416599 1063507235 /nfs/dbraw/zinc/50/72/35/1063507235.db2.gz XFFMCXZTTDXIKD-HNNXBMFYSA-N 0 0 322.408 4.314 50 0 DIAARN Cc1ccc(C)c(-c2cnn3cc(-c4ccncc4)cnc23)c1 ZINC001506396910 1063507551 /nfs/dbraw/zinc/50/75/51/1063507551.db2.gz MTHPDNPJWIGHGH-UHFFFAOYSA-N 0 0 300.365 4.075 50 0 DIAARN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)n2C(F)F)cc1 ZINC001506431406 1063510018 /nfs/dbraw/zinc/51/00/18/1063510018.db2.gz NUOUTMKPCFPKHW-GFCCVEGCSA-N 0 0 322.355 4.033 50 0 DIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)c1ccc(C)n1C(F)F ZINC001506418881 1063511374 /nfs/dbraw/zinc/51/13/74/1063511374.db2.gz KPGGKIARZBJIBH-GFCCVEGCSA-N 0 0 321.371 4.028 50 0 DIAARN Cc1nc(C(=O)Nc2ccccc2O)c(Cc2ccccc2)s1 ZINC000095475301 185373377 /nfs/dbraw/zinc/37/33/77/185373377.db2.gz WIORZFLCKIMNJV-UHFFFAOYSA-N 0 0 324.405 4.000 50 0 DIAARN CCOc1cccc(NCc2ccccc2)c2c(C)nc(C)c1-2 ZINC000095481346 185373997 /nfs/dbraw/zinc/37/39/97/185373997.db2.gz QLMBVVXPQYFNCJ-HEHNFIMWSA-N 0 0 306.409 4.284 50 0 DIAARN O=C1C[C@H](c2ccccc2)CN1Cc1cc(C2CCCCC2)no1 ZINC000095508282 185375783 /nfs/dbraw/zinc/37/57/83/185375783.db2.gz XGRIVQNVRPNUQF-KRWDZBQOSA-N 0 0 324.424 4.238 50 0 DIAARN CCO[C@H](C)c1nc(CSCc2cnc(C)s2)cs1 ZINC000076861085 185047764 /nfs/dbraw/zinc/04/77/64/185047764.db2.gz YYIPXGNFFOQKHZ-SECBINFHSA-N 0 0 314.501 4.439 50 0 DIAARN Cc1cnc(NC(=O)/C=C\c2cccc(C(F)(F)F)c2)s1 ZINC000096593087 185384367 /nfs/dbraw/zinc/38/43/67/185384367.db2.gz PNJUPEHIDAPXLH-WAYWQWQTSA-N 0 0 312.316 4.122 50 0 DIAARN CN1c2ccccc2/C(=C\c2cccc(C(F)(F)F)c2)C1=O ZINC000096669506 185385186 /nfs/dbraw/zinc/38/51/86/185385186.db2.gz KKHXHQVHWYRZAM-GXDHUFHOSA-N 0 0 303.283 4.222 50 0 DIAARN Cc1ccc(NC(=O)c2cccc(Oc3ncccn3)c2)c(C)c1 ZINC000077137507 185112097 /nfs/dbraw/zinc/11/20/97/185112097.db2.gz NJBYRIIAVSYZNR-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN CCOCc1ccccc1NC(=O)Nc1cccc(COC)c1 ZINC000079101455 185158446 /nfs/dbraw/zinc/15/84/46/185158446.db2.gz GNQYGNDTUWTABK-UHFFFAOYSA-N 0 0 314.385 4.014 50 0 DIAARN O=C(/C=C\c1cccs1)N[C@@H]1CCSc2ccccc21 ZINC000096801695 185388807 /nfs/dbraw/zinc/38/88/07/185388807.db2.gz BDWBQVUKDUDBMM-WBTMPAOCSA-N 0 0 301.436 4.115 50 0 DIAARN O=C(/C=C\c1nc2ccccc2o1)OCc1cccc(Cl)c1 ZINC000096865118 185389929 /nfs/dbraw/zinc/38/99/29/185389929.db2.gz LSQUNSSCKQHEJI-HJWRWDBZSA-N 0 0 313.740 4.238 50 0 DIAARN Cc1ccc(CSCCNC(=O)/C=C\c2ccsc2)cc1 ZINC000096871587 185390109 /nfs/dbraw/zinc/39/01/09/185390109.db2.gz KUIKZNGHECMZDH-SREVYHEPSA-N 0 0 317.479 4.119 50 0 DIAARN O=c1[nH]c2ccccc2nc1/C=C\c1ccccc1C(F)(F)F ZINC000096891342 185390610 /nfs/dbraw/zinc/39/06/10/185390610.db2.gz HBVWZWKCIOLAQX-KTKRTIGZSA-N 0 0 316.282 4.112 50 0 DIAARN O=C(c1cccc(Br)c1)c1ccnc2ccccc21 ZINC000083252636 185221432 /nfs/dbraw/zinc/22/14/32/185221432.db2.gz GXMPEGXOVNRXIH-UHFFFAOYSA-N 0 0 312.166 4.228 50 0 DIAARN COc1ccsc1C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000088466828 185252097 /nfs/dbraw/zinc/25/20/97/185252097.db2.gz MZCJBJFQTUSVEW-UHFFFAOYSA-N 0 0 305.399 4.146 50 0 DIAARN COCc1ccc(CNc2ccccc2-n2nc(C)cc2C)cc1 ZINC000090194048 185286764 /nfs/dbraw/zinc/28/67/64/185286764.db2.gz DMAQFCQNKXJRPL-UHFFFAOYSA-N 0 0 321.424 4.248 50 0 DIAARN O=C([C@H]1CC=CCC1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612374 185306786 /nfs/dbraw/zinc/30/67/86/185306786.db2.gz APNRBZJJGUFSHL-INIZCTEOSA-N 0 0 315.438 4.269 50 0 DIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2F)c1 ZINC000000360176 190613399 /nfs/dbraw/zinc/61/33/99/190613399.db2.gz LCOAOIWXBJOIDD-UHFFFAOYSA-N 0 0 320.751 4.080 50 0 DIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2C)c1 ZINC000000360177 190613409 /nfs/dbraw/zinc/61/34/09/190613409.db2.gz QTNZYFRUMYRTOZ-UHFFFAOYSA-N 0 0 316.788 4.249 50 0 DIAARN CCCc1cc(=O)n2c(-c3ccc(Cl)cc3)csc2n1 ZINC000000093737 190611051 /nfs/dbraw/zinc/61/10/51/190611051.db2.gz OITJSZVCARNQLX-UHFFFAOYSA-N 0 0 304.802 4.029 50 0 DIAARN CCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 ZINC000005458341 190620934 /nfs/dbraw/zinc/62/09/34/190620934.db2.gz HXILKNOMQLHFKF-NSHDSACASA-N 0 0 323.458 4.178 50 0 DIAARN Cc1nnc(CN[C@H](c2ccc(CC(C)C)cc2)C(C)C)o1 ZINC000096982229 185394988 /nfs/dbraw/zinc/39/49/88/185394988.db2.gz JTARPMLCERPEPG-SFHVURJKSA-N 0 0 301.434 4.063 50 0 DIAARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008368440 190632063 /nfs/dbraw/zinc/63/20/63/190632063.db2.gz RSZBMGRLIBQOHQ-SJLPKXTDSA-N 0 0 308.425 4.130 50 0 DIAARN CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2c(F)cccc2F)C1 ZINC000095411718 185357475 /nfs/dbraw/zinc/35/74/75/185357475.db2.gz VQUIEMMQQPWDRU-WDEREUQCSA-N 0 0 314.401 4.103 50 0 DIAARN O=C(C[C@@H]1CCCN1Cc1cccc(F)c1F)c1ccccc1 ZINC000095412438 185357751 /nfs/dbraw/zinc/35/77/51/185357751.db2.gz LXVQAHWKRNJKSM-INIZCTEOSA-N 0 0 315.363 4.202 50 0 DIAARN Cc1nnc(-c2cccc(NCc3ccc(Cl)s3)c2)o1 ZINC000095429199 185362616 /nfs/dbraw/zinc/36/26/16/185362616.db2.gz MQYMNVTWBBPRAT-UHFFFAOYSA-N 0 0 305.790 4.372 50 0 DIAARN COCc1nc(CNc2ccc(SC)c(Cl)c2)cs1 ZINC000095429028 185362708 /nfs/dbraw/zinc/36/27/08/185362708.db2.gz WFUOZBCIMACADD-UHFFFAOYSA-N 0 0 314.863 4.277 50 0 DIAARN c1nc(CNc2cccc(Cn3cnc4ccccc43)c2)cs1 ZINC000095429094 185362716 /nfs/dbraw/zinc/36/27/16/185362716.db2.gz SIIYXJWVZOYLPB-UHFFFAOYSA-N 0 0 320.421 4.153 50 0 DIAARN COCCOc1ccccc1CNc1ccc(F)cc1Cl ZINC000095455305 185369695 /nfs/dbraw/zinc/36/96/95/185369695.db2.gz BWAHAQMUPCWJLO-UHFFFAOYSA-N 0 0 309.768 4.116 50 0 DIAARN CCOc1cccc(CNc2cnn(CC(C)C)c2CC)c1 ZINC000095445316 185367303 /nfs/dbraw/zinc/36/73/03/185367303.db2.gz XLJVVPYELGNLDA-UHFFFAOYSA-N 0 0 301.434 4.112 50 0 DIAARN Cc1nnc(SCc2nccs2)n1[C@H]1CCC[C@@H](C)C1 ZINC000095442209 185366494 /nfs/dbraw/zinc/36/64/94/185366494.db2.gz BFMXPDQAOFJSQE-PWSUYJOCSA-N 0 0 308.476 4.087 50 0 DIAARN CCCCC(=O)Oc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000095455879 185369969 /nfs/dbraw/zinc/36/99/69/185369969.db2.gz JHPGFKSEJHQSCI-UHFFFAOYSA-N 0 0 307.390 4.438 50 0 DIAARN Cc1ccc(Cl)c2ccc(NC[C@H](C)Cn3ccnc3)nc12 ZINC000095460610 185370748 /nfs/dbraw/zinc/37/07/48/185370748.db2.gz VRHZMLQXQAESEN-LBPRGKRZSA-N 0 0 314.820 4.141 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000095461560 185371044 /nfs/dbraw/zinc/37/10/44/185371044.db2.gz HNOCUEQPXOQWMO-UHFFFAOYSA-N 0 0 320.392 4.316 50 0 DIAARN O=C(OCCSc1ccccc1)c1c(F)cccc1Cl ZINC000095466562 185371734 /nfs/dbraw/zinc/37/17/34/185371734.db2.gz OBSRNACTUZXWAU-UHFFFAOYSA-N 0 0 310.777 4.428 50 0 DIAARN Cn1nccc1/C=C\c1nc2cc(-c3ccccc3)ccc2o1 ZINC000097015595 185397114 /nfs/dbraw/zinc/39/71/14/185397114.db2.gz JSMQWTONDHIWDE-NTMALXAHSA-N 0 0 301.349 4.399 50 0 DIAARN COC[C@H](N[C@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 ZINC000097017182 185397593 /nfs/dbraw/zinc/39/75/93/185397593.db2.gz QDQIJUZWMADYLC-YPMHNXCESA-N 0 0 322.474 4.380 50 0 DIAARN CCc1ccc([C@@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)o1 ZINC000097017323 185397677 /nfs/dbraw/zinc/39/76/77/185397677.db2.gz DBYPQKSIMLTRTN-OLZOCXBDSA-N 0 0 311.385 4.304 50 0 DIAARN O=C(NCCC[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1 ZINC000097138242 185414232 /nfs/dbraw/zinc/41/42/32/185414232.db2.gz UFZISNIWQNQBDJ-AWEZNQCLSA-N 0 0 312.360 4.095 50 0 DIAARN CCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000027023738 190654150 /nfs/dbraw/zinc/65/41/50/190654150.db2.gz DWJWKSPLHTYCPZ-UHFFFAOYSA-N 0 0 315.760 4.223 50 0 DIAARN Cc1csc2nc(COc3ccccc3)c(Br)n12 ZINC000027093298 190654234 /nfs/dbraw/zinc/65/42/34/190654234.db2.gz CYMLWUKNDLXVFK-UHFFFAOYSA-N 0 0 323.215 4.046 50 0 DIAARN O=C(Nc1ccc(N2CCCCCC2)cc1)Nc1cccnc1 ZINC000057769109 190689281 /nfs/dbraw/zinc/68/92/81/190689281.db2.gz VUNTVYWRWRIQFQ-UHFFFAOYSA-N 0 0 310.401 4.106 50 0 DIAARN CCn1cnc2ccc(-c3noc(Cc4ccc(C)cc4)n3)cc21 ZINC000064759487 190704987 /nfs/dbraw/zinc/70/49/87/190704987.db2.gz TWICLLPFDHCVRE-UHFFFAOYSA-N 0 0 318.380 4.005 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 ZINC000064985001 190706810 /nfs/dbraw/zinc/70/68/10/190706810.db2.gz SICWNGWHVQYOOX-AWEZNQCLSA-N 0 0 319.792 4.259 50 0 DIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000229408168 201832663 /nfs/dbraw/zinc/83/26/63/201832663.db2.gz MBHTVIULRIQAPH-JCGIZDLHSA-N 0 0 309.409 4.018 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCO3)C1(C)C ZINC000229725973 201847400 /nfs/dbraw/zinc/84/74/00/201847400.db2.gz FHQPLJZUZCSGSW-XCRHUMRWSA-N 0 0 313.441 4.037 50 0 DIAARN COCc1ccc2ccccc2c1-c1ccc(C(=O)N(C)C)cc1 ZINC000067983070 190741860 /nfs/dbraw/zinc/74/18/60/190741860.db2.gz FTIAXTQXMFPGMF-UHFFFAOYSA-N 0 0 319.404 4.355 50 0 DIAARN C[C@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000080345942 192150109 /nfs/dbraw/zinc/15/01/09/192150109.db2.gz UHNMVJXEFCRWMV-LLVKDONJSA-N 0 0 324.207 4.191 50 0 DIAARN O=C(NCc1ccccc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343968 192149834 /nfs/dbraw/zinc/14/98/34/192149834.db2.gz VRNGUAWVAIAHOW-CVEARBPZSA-N 0 0 320.219 4.413 50 0 DIAARN Cc1ccc2ccccc2c1CN1CC[C@]2(CCCO2)CCC1=O ZINC000071711884 191010893 /nfs/dbraw/zinc/01/08/93/191010893.db2.gz YYLCSFRVSWYXPS-NRFANRHFSA-N 0 0 323.436 4.210 50 0 DIAARN Cc1sc2ccccc2c1-c1nccn1Cc1cnc(C)cn1 ZINC000071749639 191022066 /nfs/dbraw/zinc/02/20/66/191022066.db2.gz JJMVMMVKNZJPFT-UHFFFAOYSA-N 0 0 320.421 4.220 50 0 DIAARN CCc1nn2c(nccc2-c2cccnc2)c1-c1ccccc1 ZINC000072140691 191047685 /nfs/dbraw/zinc/04/76/85/191047685.db2.gz GFVBKVOMOIIWLV-UHFFFAOYSA-N 0 0 300.365 4.021 50 0 DIAARN Fc1cccc(F)c1CC[C@H]1CCCN(Cc2cscn2)C1 ZINC000072138841 191048323 /nfs/dbraw/zinc/04/83/23/191048323.db2.gz JPUYPWBNDPDDLF-CYBMUJFWSA-N 0 0 322.424 4.266 50 0 DIAARN COc1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000072119271 191038880 /nfs/dbraw/zinc/03/88/80/191038880.db2.gz YJEXGCIKVQTMCI-UHFFFAOYSA-N 0 0 319.339 4.211 50 0 DIAARN COc1ccc(F)c(F)c1CN1CCCC[C@@H]1c1ccccn1 ZINC000072165656 191065387 /nfs/dbraw/zinc/06/53/87/191065387.db2.gz NWWVGOFFICRGCL-MRXNPFEDSA-N 0 0 318.367 4.096 50 0 DIAARN Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000072232488 191079011 /nfs/dbraw/zinc/07/90/11/191079011.db2.gz ZPLSPFNDIOOGEW-INIZCTEOSA-N 0 0 314.454 4.138 50 0 DIAARN Cc1cccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c1C ZINC000072238591 191081457 /nfs/dbraw/zinc/08/14/57/191081457.db2.gz DBCXQMYFXZBWRL-UHFFFAOYSA-N 0 0 321.376 4.279 50 0 DIAARN CC(C)Oc1cc(C(=O)NCCc2ccccc2)cc2occc21 ZINC000072240209 191083638 /nfs/dbraw/zinc/08/36/38/191083638.db2.gz JYIZRDJZWIEUDS-UHFFFAOYSA-N 0 0 323.392 4.193 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)CNc2cc(Cl)ccc2C)c1C ZINC000072271176 191094087 /nfs/dbraw/zinc/09/40/87/191094087.db2.gz TYTYBMYRXGHINH-UHFFFAOYSA-N 0 0 318.804 4.091 50 0 DIAARN CCOc1cccc([C@@H](C)NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000072276934 191098223 /nfs/dbraw/zinc/09/82/23/191098223.db2.gz RCPODEZEJVOTDH-MRXNPFEDSA-N 0 0 323.436 4.384 50 0 DIAARN O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1C(F)(F)F ZINC000072281735 191103024 /nfs/dbraw/zinc/10/30/24/191103024.db2.gz SYWMENDHNPXQLW-UHFFFAOYSA-N 0 0 304.271 4.439 50 0 DIAARN C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072285832 191104665 /nfs/dbraw/zinc/10/46/65/191104665.db2.gz ISFNZCCWGACJCG-GDBMZVCRSA-N 0 0 314.454 4.076 50 0 DIAARN CN(CC(F)(F)F)C(=O)Nc1cc(Cl)ccc1Cl ZINC000072285535 191104717 /nfs/dbraw/zinc/10/47/17/191104717.db2.gz MZJYVGZTYGLJOC-UHFFFAOYSA-N 0 0 301.095 4.019 50 0 DIAARN C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072285833 191105198 /nfs/dbraw/zinc/10/51/98/191105198.db2.gz ISFNZCCWGACJCG-HOCLYGCPSA-N 0 0 314.454 4.076 50 0 DIAARN CC[C@H](C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)on1 ZINC000072295647 191111738 /nfs/dbraw/zinc/11/17/38/191111738.db2.gz OGEYYAWOJTXNLI-AAEUAGOBSA-N 0 0 319.430 4.012 50 0 DIAARN CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 ZINC000072297295 191112545 /nfs/dbraw/zinc/11/25/45/191112545.db2.gz WEMGKQSNWHQMJB-LSDHHAIUSA-N 0 0 318.486 4.329 50 0 DIAARN C[C@H](C(=O)N1CCCC[C@@H]1c1nccs1)c1cccc(F)c1 ZINC000072297163 191113370 /nfs/dbraw/zinc/11/33/70/191113370.db2.gz GCNBLAABFYCHKV-SWLSCSKDSA-N 0 0 318.417 4.140 50 0 DIAARN O=C(CC1CCCC1)NCc1cccnc1-c1ccsc1 ZINC000225644245 186285958 /nfs/dbraw/zinc/28/59/58/186285958.db2.gz NTSGRGAKJNPAKX-UHFFFAOYSA-N 0 0 300.427 4.007 50 0 DIAARN O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000253397162 186305339 /nfs/dbraw/zinc/30/53/39/186305339.db2.gz OUEPHZISNFGOJW-UKRRQHHQSA-N 0 0 311.347 4.315 50 0 DIAARN O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000253397130 186305557 /nfs/dbraw/zinc/30/55/57/186305557.db2.gz OUEPHZISNFGOJW-DZGCQCFKSA-N 0 0 311.347 4.315 50 0 DIAARN CCSc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cn1 ZINC000072303325 191116728 /nfs/dbraw/zinc/11/67/28/191116728.db2.gz JZJBOYAAYOOSAG-CXAGYDPISA-N 0 0 312.438 4.027 50 0 DIAARN CCC(CC)N(CC(C)C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000072312790 191120317 /nfs/dbraw/zinc/12/03/17/191120317.db2.gz PBYBUATWPNLBII-UHFFFAOYSA-N 0 0 321.490 4.230 50 0 DIAARN Cc1ccc2c(ccn2CC(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000072325447 191122762 /nfs/dbraw/zinc/12/27/62/191122762.db2.gz QZLRLCSGORELEF-UHFFFAOYSA-N 0 0 303.365 4.070 50 0 biogenic DIAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000072331747 191125401 /nfs/dbraw/zinc/12/54/01/191125401.db2.gz AWDCRDLXFMDRPP-UHFFFAOYSA-N 0 0 317.816 4.402 50 0 DIAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000072331733 191125499 /nfs/dbraw/zinc/12/54/99/191125499.db2.gz NFTHAULKRVVCFF-UHFFFAOYSA-N 0 0 317.816 4.402 50 0 DIAARN Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCOCC2)s1 ZINC000585149259 563521874 /nfs/dbraw/zinc/52/18/74/563521874.db2.gz BJGKNEFSXLRHHZ-HNNXBMFYSA-N 0 0 321.467 4.016 50 0 DIAARN O=C(c1cc(-c2cccs2)on1)N1CC2(CC2)c2ccccc21 ZINC000172576143 198118177 /nfs/dbraw/zinc/11/81/77/198118177.db2.gz LRJALMWKAJZWOU-UHFFFAOYSA-N 0 0 322.389 4.095 50 0 DIAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccnc1 ZINC000000030155 180671115 /nfs/dbraw/zinc/67/11/15/180671115.db2.gz QGICELLDUPVXND-UHFFFAOYSA-N 0 0 302.377 4.242 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000030115 180671293 /nfs/dbraw/zinc/67/12/93/180671293.db2.gz ACHHNNCGMHNGDA-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccs1 ZINC000000055303 180680244 /nfs/dbraw/zinc/68/02/44/180680244.db2.gz GXTYCIXGTOUVQS-GHXNOFRVSA-N 0 0 324.188 4.399 50 0 DIAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000000063561 180681145 /nfs/dbraw/zinc/68/11/45/180681145.db2.gz FKFFBLOJQAJYGC-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1F ZINC000000038905 180674739 /nfs/dbraw/zinc/67/47/39/180674739.db2.gz FVQPGBKEQQFQQS-UHFFFAOYSA-N 0 0 307.752 4.113 50 0 DIAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1Br ZINC000000038641 180674990 /nfs/dbraw/zinc/67/49/90/180674990.db2.gz XYAUYTUVZFCRDC-UHFFFAOYSA-N 0 0 318.214 4.030 50 0 DIAARN Cc1cnc(NC(=O)Cc2cn(C(C)C)c3ccccc23)s1 ZINC000072404589 191151931 /nfs/dbraw/zinc/15/19/31/191151931.db2.gz JLIAGWAOYLUREF-UHFFFAOYSA-N 0 0 313.426 4.168 50 0 DIAARN CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(O)cc21 ZINC000000055130 180679225 /nfs/dbraw/zinc/67/92/25/180679225.db2.gz KZFFTSBSFGSJFS-UHFFFAOYSA-N 0 0 309.365 4.130 50 0 DIAARN Cc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1 ZINC000000075203 180685328 /nfs/dbraw/zinc/68/53/28/180685328.db2.gz TWAJKRUYQCGCBK-UHFFFAOYSA-N 0 0 313.356 4.459 50 0 DIAARN c1[nH]nc(-c2cc3ccccc3o2)c1-c1nc2ccccc2[nH]1 ZINC000072412156 191155169 /nfs/dbraw/zinc/15/51/69/191155169.db2.gz KADUDORKGKLCGA-UHFFFAOYSA-N 0 0 300.321 4.366 50 0 DIAARN Cc1c(C)n(C[C@@H](O)CNc2ccc(C)cc2C)c2ccccc12 ZINC000000096660 180691264 /nfs/dbraw/zinc/69/12/64/180691264.db2.gz YRHSWBRHYHSFNY-SFHVURJKSA-N 0 0 322.452 4.348 50 0 DIAARN Cc1c(C)n(C[C@@H](O)CNc2cccc(C)c2C)c2ccccc12 ZINC000000096674 180691423 /nfs/dbraw/zinc/69/14/23/180691423.db2.gz PNLKKVRLATWQLK-SFHVURJKSA-N 0 0 322.452 4.348 50 0 DIAARN CC(C)(C)c1ccc(C(=O)N2CCOC23CCCCC3)cc1 ZINC000000099675 180692405 /nfs/dbraw/zinc/69/24/05/180692405.db2.gz XPYQLYWLQJUQPA-UHFFFAOYSA-N 0 0 301.430 4.117 50 0 DIAARN Cc1[nH]c2cccc3c2c1CCN1C(=O)OC2(CCCCC2)[C@@]31C ZINC000000105564 180694334 /nfs/dbraw/zinc/69/43/34/180694334.db2.gz ISTKNNZQEVPAML-LJQANCHMSA-N 0 0 324.424 4.403 50 0 DIAARN CN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CC=CCC1 ZINC000072425073 191160528 /nfs/dbraw/zinc/16/05/28/191160528.db2.gz DQPNTQQDMALEGU-LBPRGKRZSA-N 0 0 318.467 4.186 50 0 DIAARN O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1 ZINC000000106343 180695204 /nfs/dbraw/zinc/69/52/04/180695204.db2.gz SPPWFOQHHCMIFO-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Fc1ccc2[nH]c(-c3c[nH]nc3-c3ccc(F)cc3F)nc2c1 ZINC000072428500 191161269 /nfs/dbraw/zinc/16/12/69/191161269.db2.gz SDOZWRFMKWFNKQ-UHFFFAOYSA-N 0 0 314.270 4.037 50 0 DIAARN CSc1ccc(-c2nccn2[C@H](C)Cc2ccncc2)cc1 ZINC000072431894 191163989 /nfs/dbraw/zinc/16/39/89/191163989.db2.gz XCHWSMUCWFOPHK-CQSZACIVSA-N 0 0 309.438 4.471 50 0 DIAARN O=C(Oc1ccc(C2SCCS2)cc1)c1cccs1 ZINC000000115630 180697702 /nfs/dbraw/zinc/69/77/02/180697702.db2.gz OTRWVJGGAANGSB-UHFFFAOYSA-N 0 0 308.449 4.446 50 0 DIAARN C[C@@H](c1nccs1)N(C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072432085 191165064 /nfs/dbraw/zinc/16/50/64/191165064.db2.gz ZELPAHONCFWXBF-AWEZNQCLSA-N 0 0 318.486 4.040 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)c1 ZINC000072437248 191165593 /nfs/dbraw/zinc/16/55/93/191165593.db2.gz URZURQLZZPKJIE-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000119740 180699373 /nfs/dbraw/zinc/69/93/73/180699373.db2.gz JBDYZCHJHMDHBV-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN COc1ccc(OC(=O)c2ccc(-c3ccccn3)s2)cc1 ZINC000000124845 180700994 /nfs/dbraw/zinc/70/09/94/180700994.db2.gz KOUIJZHIEBXIJO-UHFFFAOYSA-N 0 0 311.362 4.038 50 0 DIAARN CCCc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 ZINC000000134432 180704811 /nfs/dbraw/zinc/70/48/11/180704811.db2.gz GPBWGCDNEXSGRW-UHFFFAOYSA-N 0 0 312.340 4.464 50 0 DIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1 ZINC000000138433 180705380 /nfs/dbraw/zinc/70/53/80/180705380.db2.gz CGDKYDPBMZLPSG-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000000129810 180703061 /nfs/dbraw/zinc/70/30/61/180703061.db2.gz DEPHNPPMZIRNBU-KGLIPLIRSA-N 0 0 317.816 4.293 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1C ZINC000000149707 180709325 /nfs/dbraw/zinc/70/93/25/180709325.db2.gz TVEIRNAQXTZTTB-JXMROGBWSA-N 0 0 301.773 4.309 50 0 DIAARN COCCNc1cc(-c2ccc3occc3c2)c2cc[nH]c2n1 ZINC000072474750 191177391 /nfs/dbraw/zinc/17/73/91/191177391.db2.gz JUBBHLPMRZTGSG-UHFFFAOYSA-N 0 0 307.353 4.034 50 0 DIAARN Fc1cccc(F)c1CC[C@H]1CCCN(c2nccs2)C1 ZINC000072477388 191180258 /nfs/dbraw/zinc/18/02/58/191180258.db2.gz WNSQKRSGSFYMSP-GFCCVEGCSA-N 0 0 308.397 4.271 50 0 DIAARN Clc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 ZINC000000205855 180725458 /nfs/dbraw/zinc/72/54/58/180725458.db2.gz PYZUEWQLYBBSCE-HOTGVXAUSA-N 0 0 310.788 4.078 50 0 DIAARN COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000000190954 180720671 /nfs/dbraw/zinc/72/06/71/180720671.db2.gz ARDXTNYXOIAXHF-UHFFFAOYSA-N 0 0 316.407 4.133 50 0 DIAARN Cc1ccccc1NC(=O)c1c(N)sc2c1CC[C@H](C)C2 ZINC000000191617 180720793 /nfs/dbraw/zinc/72/07/93/180720793.db2.gz CTHCBCDUOPNUAP-JTQLQIEISA-N 0 0 300.427 4.016 50 0 DIAARN CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000193084 180720993 /nfs/dbraw/zinc/72/09/93/180720993.db2.gz CDHZUFZVAFBDBU-JOYOIKCWSA-N 0 0 315.196 4.213 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000000194723 180721601 /nfs/dbraw/zinc/72/16/01/180721601.db2.gz GMLWUIOMUFRCHP-UHFFFAOYSA-N 0 0 302.377 4.233 50 0 DIAARN CC(C)N(C(=S)Nc1cccc(F)c1)[C@@H](C)c1ccccn1 ZINC000000262041 180740963 /nfs/dbraw/zinc/74/09/63/180740963.db2.gz SNHHHDGUXBDNRT-ZDUSSCGKSA-N 0 0 317.433 4.389 50 0 DIAARN Cc1cc(C)cc(NC(=S)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000000263571 180741886 /nfs/dbraw/zinc/74/18/86/180741886.db2.gz IHDVKFJLLXJBPP-QGZVFWFLSA-N 0 0 310.466 4.490 50 0 DIAARN CC(C)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000000264152 180741928 /nfs/dbraw/zinc/74/19/28/180741928.db2.gz SJYRQNOZWFJUBH-UHFFFAOYSA-N 0 0 320.392 4.216 50 0 DIAARN CC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 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180850732 /nfs/dbraw/zinc/85/07/32/180850732.db2.gz QTJIFBIUXXTQPC-UHFFFAOYSA-N 0 0 309.390 4.154 50 0 DIAARN COc1ccc(SCC(=O)Nc2ccccc2Cl)cc1 ZINC000001400548 180861207 /nfs/dbraw/zinc/86/12/07/180861207.db2.gz RVTNIIXEZGCJIR-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN CSc1nc2ccsc2c(Oc2ccc(F)cc2F)n1 ZINC000001398456 180861572 /nfs/dbraw/zinc/86/15/72/180861572.db2.gz NVRJNCYDOJOPGR-UHFFFAOYSA-N 0 0 310.350 4.484 50 0 DIAARN COc1cccc(-c2nc(-c3cc(C)nc4ccccc43)no2)c1 ZINC000001423715 180864349 /nfs/dbraw/zinc/86/43/49/180864349.db2.gz CEHIBCYIBTVOJY-UHFFFAOYSA-N 0 0 317.348 4.269 50 0 DIAARN COc1ccc(Sc2nc(-c3ccccc3)ncc2OC)cc1 ZINC000001406864 180863392 /nfs/dbraw/zinc/86/33/92/180863392.db2.gz OXXCFKCPCLGDQX-UHFFFAOYSA-N 0 0 324.405 4.312 50 0 DIAARN COc1ccc2cc(-c3n[nH]cc3C)ccc2c1Br ZINC000001388041 180858878 /nfs/dbraw/zinc/85/88/78/180858878.db2.gz UZDJXJDZRDGCSP-UHFFFAOYSA-N 0 0 317.186 4.309 50 0 DIAARN O=C1CCSc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000001392631 180859497 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181074302 /nfs/dbraw/zinc/07/43/02/181074302.db2.gz VZGWKYURYATOCU-UHFFFAOYSA-N 0 0 318.348 4.177 50 0 DIAARN CN1C(=O)S/C(=C\c2cccc(Oc3ccccc3)c2)C1=O ZINC000004108621 181074316 /nfs/dbraw/zinc/07/43/16/181074316.db2.gz JCOFCSJCDGGJMA-PTNGSMBKSA-N 0 0 311.362 4.145 50 0 DIAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccn2)N3)C1 ZINC000004108131 181074320 /nfs/dbraw/zinc/07/43/20/181074320.db2.gz SSJSLAWCQXIKDK-BMIGLBTASA-N 0 0 313.426 4.087 50 0 DIAARN O=C(NCc1cccc(Cl)c1-n1cccc1)C1CCCCC1 ZINC000004054842 181067186 /nfs/dbraw/zinc/06/71/86/181067186.db2.gz VEFDVFAVLSDHAU-UHFFFAOYSA-N 0 0 316.832 4.327 50 0 DIAARN C[C@@H]1CCc2c(sc3ncnc(N(C)Cc4ccccc4)c23)C1 ZINC000004056133 181067236 /nfs/dbraw/zinc/06/72/36/181067236.db2.gz ZAEDJJMATAWRHB-CYBMUJFWSA-N 0 0 323.465 4.453 50 0 DIAARN Cc1cc2cc(CNC(=O)c3ccc(C)c(C)c3)ccc2n1C ZINC000004061478 181067982 /nfs/dbraw/zinc/06/79/82/181067982.db2.gz DGGLECNDPVUCKR-UHFFFAOYSA-N 0 0 306.409 4.034 50 0 DIAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(Cl)s1 ZINC000004063469 181068740 /nfs/dbraw/zinc/06/87/40/181068740.db2.gz AHQCVFFTTIHGKL-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN C[C@]12CCC[C@](C)(CO)[C@@H]1CC[C@@H](CO)[C@@H]2CCc1ccoc1 ZINC000004073759 181069473 /nfs/dbraw/zinc/06/94/73/181069473.db2.gz XAXWAJGTWLGWSN-WKWVNEEDSA-N 0 0 320.473 4.036 50 0 biogenic DIAARN O=c1oc(/C=C/c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000004070921 181069862 /nfs/dbraw/zinc/06/98/62/181069862.db2.gz FVPKDJYLYRUMRR-ZHACJKMWSA-N 0 0 309.390 4.299 50 0 DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004081428 181070278 /nfs/dbraw/zinc/07/02/78/181070278.db2.gz WRWBCPJQPDHXTJ-DTMQFJJTSA-N 0 0 304.474 4.061 50 0 biogenic,investigational DIAARN CCCCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 ZINC000004077313 181070681 /nfs/dbraw/zinc/07/06/81/181070681.db2.gz KTRZTYFHLCMEQI-UHFFFAOYSA-N 0 0 315.442 4.056 50 0 DIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1 ZINC000004120003 181076173 /nfs/dbraw/zinc/07/61/73/181076173.db2.gz FFIINSIQTMUNMJ-UHFFFAOYSA-N 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324.405 4.283 50 0 DIAARN Cc1ccc(SCC(=O)NCc2ccccc2Cl)cc1 ZINC000004167544 181080896 /nfs/dbraw/zinc/08/08/96/181080896.db2.gz LKQUZPDJKQTROF-UHFFFAOYSA-N 0 0 305.830 4.057 50 0 DIAARN CCCC(=O)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304761 181094776 /nfs/dbraw/zinc/09/47/76/181094776.db2.gz FVTKCXHVGDKOCI-UHFFFAOYSA-N 0 0 311.410 4.025 50 0 DIAARN CCc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000004306572 181094787 /nfs/dbraw/zinc/09/47/87/181094787.db2.gz FUINCXPYDQMIIR-QGZVFWFLSA-N 0 0 310.397 4.176 50 0 DIAARN Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 ZINC000004306607 181094821 /nfs/dbraw/zinc/09/48/21/181094821.db2.gz NHQSOXOEHORKFB-MRXNPFEDSA-N 0 0 320.348 4.173 50 0 DIAARN Cc1ccc2sc(NC(=O)c3c(F)cccc3F)nc2c1C ZINC000004275362 181090625 /nfs/dbraw/zinc/09/06/25/181090625.db2.gz QKKJJYFLURXUSF-UHFFFAOYSA-N 0 0 318.348 4.444 50 0 DIAARN C[C@@]1(c2ccccc2)C[C@@]1(Br)[C@@H](O)c1ccccc1 ZINC000004280662 181092132 /nfs/dbraw/zinc/09/21/32/181092132.db2.gz PDOVJOSTBJWXKE-YESZJQIVSA-N 0 0 317.226 4.215 50 0 DIAARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000004310098 181095679 /nfs/dbraw/zinc/09/56/79/181095679.db2.gz VBJMFHQCOOJALN-UHFFFAOYSA-N 0 0 312.438 4.047 50 0 DIAARN CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(C)c2O3)cc1 ZINC000004320252 181097319 /nfs/dbraw/zinc/09/73/19/181097319.db2.gz WIRWNKPSJZVVDK-UHFFFAOYSA-N 0 0 318.376 4.417 50 0 DIAARN Cc1cc2nc(NC(=O)c3c(F)cccc3F)sc2c(C)c1 ZINC000004331367 181098472 /nfs/dbraw/zinc/09/84/72/181098472.db2.gz DWPUXPWOIWPKCH-UHFFFAOYSA-N 0 0 318.348 4.444 50 0 DIAARN Cc1cc2nc(NC(=O)c3ccc(F)cc3)sc2c(C)c1 ZINC000004330849 181098549 /nfs/dbraw/zinc/09/85/49/181098549.db2.gz XWNMXXVCGOLHJM-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN Cc1c2cc(OC(=O)C(C)C)ccc2oc(=O)c1-c1ccccc1 ZINC000004340704 181099916 /nfs/dbraw/zinc/09/99/16/181099916.db2.gz FAADJBUTLQZHDP-UHFFFAOYSA-N 0 0 322.360 4.330 50 0 DIAARN O=C(CSc1ccc(-c2ccccc2)nn1)c1ccccc1 ZINC000004355430 181101921 /nfs/dbraw/zinc/10/19/21/181101921.db2.gz AZMITAQWUHSOLA-UHFFFAOYSA-N 0 0 306.390 4.119 50 0 DIAARN Cc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1 ZINC000004356080 181102086 /nfs/dbraw/zinc/10/20/86/181102086.db2.gz OHODLBAQKBIMGA-UHFFFAOYSA-N 0 0 320.417 4.427 50 0 DIAARN Clc1ccc(CSc2ccc(-c3cccnc3)nn2)cc1 ZINC000004358283 181102114 /nfs/dbraw/zinc/10/21/14/181102114.db2.gz BNQFTHSENRSCHW-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN CCOc1c(Cl)cc(Cl)cc1CNCc1ccncc1 ZINC000004413632 181108325 /nfs/dbraw/zinc/10/83/25/181108325.db2.gz HOMOFECZENPIKY-UHFFFAOYSA-N 0 0 311.212 4.077 50 0 DIAARN O=C1CC2(CCCC2)CC(=O)N1Cc1csc2ccccc12 ZINC000004371452 181103026 /nfs/dbraw/zinc/10/30/26/181103026.db2.gz QFNGLBLAYCJCMF-UHFFFAOYSA-N 0 0 313.422 4.111 50 0 DIAARN Cc1ccccc1-n1cnc2cc(NCc3ccncc3)ccc21 ZINC000004384589 181105169 /nfs/dbraw/zinc/10/51/69/181105169.db2.gz SIDNTWRXEDFPAJ-UHFFFAOYSA-N 0 0 314.392 4.341 50 0 DIAARN Cc1ccc2[nH]c(-c3cc4cc(Cl)ccc4oc3=O)nc2c1 ZINC000004386465 181106179 /nfs/dbraw/zinc/10/61/79/181106179.db2.gz FPUUVXBNNBZRQP-UHFFFAOYSA-N 0 0 310.740 4.298 50 0 DIAARN COc1ccccc1[C@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000004529798 181119986 /nfs/dbraw/zinc/11/99/86/181119986.db2.gz HFRJUPRCNXEFKO-NRFANRHFSA-N 0 0 304.389 4.288 50 0 DIAARN O=C(CCc1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000004540154 181121985 /nfs/dbraw/zinc/12/19/85/181121985.db2.gz KVECZTUQBHBIIS-UHFFFAOYSA-N 0 0 315.316 4.218 50 0 DIAARN CCc1ccc(CCC(=O)Nc2nc3ccccc3s2)o1 ZINC000004539852 181122015 /nfs/dbraw/zinc/12/20/15/181122015.db2.gz FVDZCRUKKDPIJV-UHFFFAOYSA-N 0 0 300.383 4.023 50 0 DIAARN Cc1ccc(/C=C/c2nn3c(nnc3-c3ccco3)s2)cc1C ZINC000004538937 181122039 /nfs/dbraw/zinc/12/20/39/181122039.db2.gz NEFDEKUKKXWGMO-BQYQJAHWSA-N 0 0 322.393 4.233 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2ccccc2F)c1Cl ZINC000004542741 181122571 /nfs/dbraw/zinc/12/25/71/181122571.db2.gz ZERNQWADULSZNP-MDZDMXLPSA-N 0 0 305.736 4.140 50 0 DIAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1F ZINC000004471756 181111322 /nfs/dbraw/zinc/11/13/22/181111322.db2.gz XTDZWVGXTNTZHO-PDGQHHTCSA-N 0 0 317.319 4.323 50 0 DIAARN Cc1ccc(C(=O)Nc2c3nsnc3ccc2C)c(Cl)c1 ZINC000004487029 181113706 /nfs/dbraw/zinc/11/37/06/181113706.db2.gz OTJYVFGQCYOJNT-UHFFFAOYSA-N 0 0 317.801 4.214 50 0 DIAARN O=C(CSc1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000004496706 181115068 /nfs/dbraw/zinc/11/50/68/181115068.db2.gz WLUSPVYLPNXXEC-UHFFFAOYSA-N 0 0 318.398 4.166 50 0 DIAARN Cc1ccc(SCCC(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000004496517 181115216 /nfs/dbraw/zinc/11/52/16/181115216.db2.gz CTUCKLNGOWOXQS-UHFFFAOYSA-N 0 0 318.467 4.061 50 0 DIAARN O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)c1cccs1 ZINC000004506463 181116954 /nfs/dbraw/zinc/11/69/54/181116954.db2.gz NUYJAKBHPGGCBE-UHFFFAOYSA-N 0 0 322.389 4.253 50 0 DIAARN COc1c(C)cccc1C(=O)Nc1cccc2nc(C)ccc21 ZINC000004511900 181118411 /nfs/dbraw/zinc/11/84/11/181118411.db2.gz SIVNNKJJLIIDBY-UHFFFAOYSA-N 0 0 306.365 4.113 50 0 DIAARN O=S(=O)(/C=C/c1ccccc1)c1ccc(Cl)cc1Cl ZINC000004610764 181129090 /nfs/dbraw/zinc/12/90/90/181129090.db2.gz COVZNYWKGPJNGR-CMDGGOBGSA-N 0 0 313.205 4.438 50 0 DIAARN 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CCc1cc2c([nH]c(=S)n(-c3cccc(CC)c3)c2=O)s1 ZINC000006294662 181327314 /nfs/dbraw/zinc/32/73/14/181327314.db2.gz UGYSVWQGHNDMSH-UHFFFAOYSA-N 0 0 316.451 4.235 50 0 DIAARN CCCCN(CC)C(=O)COc1ccc(Cl)cc1Cl ZINC000006310342 181328599 /nfs/dbraw/zinc/32/85/99/181328599.db2.gz XYZXDWHGJNAHJS-UHFFFAOYSA-N 0 0 304.217 4.021 50 0 DIAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1Cl ZINC000006329397 181330216 /nfs/dbraw/zinc/33/02/16/181330216.db2.gz FBGSFXXBOBXJID-UHFFFAOYSA-N 0 0 315.678 4.333 50 0 DIAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CC1 ZINC000006329659 181330400 /nfs/dbraw/zinc/33/04/00/181330400.db2.gz HBKUOVJERALWMD-UHFFFAOYSA-N 0 0 313.209 4.465 50 0 DIAARN CC(C)(C)SCC(=O)N(Cc1ccsc1)c1cccnc1 ZINC000193508212 201066120 /nfs/dbraw/zinc/06/61/20/201066120.db2.gz OJGIGLNGFYGRRC-UHFFFAOYSA-N 0 0 320.483 4.208 50 0 DIAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1Cl ZINC000006351682 181333910 /nfs/dbraw/zinc/33/39/10/181333910.db2.gz JWRCPPXZVIETDI-NSHDSACASA-N 0 0 323.849 4.237 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CC(C)(C)C ZINC000006353235 181333949 /nfs/dbraw/zinc/33/39/49/181333949.db2.gz UVWNYOGRFBPMFH-LBPRGKRZSA-N 0 0 301.386 4.027 50 0 DIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1 ZINC000006347226 181333230 /nfs/dbraw/zinc/33/32/30/181333230.db2.gz CXXYOXYJJIVXSW-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN CC1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000006348513 181333319 /nfs/dbraw/zinc/33/33/19/181333319.db2.gz KTILEYXMYQVNBS-UHFFFAOYSA-N 0 0 300.324 4.406 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc(F)c(F)c1F ZINC000006376344 181334847 /nfs/dbraw/zinc/33/48/47/181334847.db2.gz WRBMGCMMSICZNM-UHFFFAOYSA-N 0 0 317.669 4.078 50 0 DIAARN O=C(CSc1cnc2ccccc2n1)c1ccc(Cl)cc1 ZINC000006403027 181338576 /nfs/dbraw/zinc/33/85/76/181338576.db2.gz VATZTDTTWFRMSQ-UHFFFAOYSA-N 0 0 314.797 4.258 50 0 DIAARN O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc2ccccc2c1 ZINC000006416400 181338785 /nfs/dbraw/zinc/33/87/85/181338785.db2.gz URDUBRBMKZDYSH-UHFFFAOYSA-N 0 0 323.417 4.129 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)NCC(C(C)C)C(C)C)c1C ZINC000194600461 201260929 /nfs/dbraw/zinc/26/09/29/201260929.db2.gz GEWFAVMWAAGNOF-UHFFFAOYSA-N 0 0 319.449 4.003 50 0 DIAARN O=C1CCCC[C@@H]1Sc1nnc(Nc2ccccc2F)s1 ZINC000006474012 181343764 /nfs/dbraw/zinc/34/37/64/181343764.db2.gz DFJPCIGDXVSMRU-LBPRGKRZSA-N 0 0 323.418 4.025 50 0 DIAARN CC(C)COc1cc(Br)cc(Br)c1 ZINC000090769866 192932049 /nfs/dbraw/zinc/93/20/49/192932049.db2.gz LSBJRMAMFPACHI-UHFFFAOYSA-N 0 0 308.013 4.246 50 0 DIAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 ZINC000194977135 201320641 /nfs/dbraw/zinc/32/06/41/201320641.db2.gz XSSOOQHOULURTB-WMZOPIPTSA-N 0 0 324.424 4.350 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000006509191 181347632 /nfs/dbraw/zinc/34/76/32/181347632.db2.gz JWEGIWPDAKYNAQ-LLVKDONJSA-N 0 0 323.223 4.140 50 0 DIAARN COc1cc(C)ccc1Oc1ncnc2sc3c(c21)CCC3 ZINC000006507819 181347439 /nfs/dbraw/zinc/34/74/39/181347439.db2.gz RCZAQYFMTAZMEE-UHFFFAOYSA-N 0 0 312.394 4.289 50 0 DIAARN CC[C@H](C)NC(=O)c1ccccc1OCc1ccccc1Cl ZINC000006510164 181348144 /nfs/dbraw/zinc/34/81/44/181348144.db2.gz UUXCRRLVSXMXKY-ZDUSSCGKSA-N 0 0 317.816 4.447 50 0 DIAARN O=Cc1cc(Br)ccc1OC/C=C/c1ccccc1 ZINC000006529044 181350602 /nfs/dbraw/zinc/35/06/02/181350602.db2.gz BQOMLOURFBRIGZ-QPJJXVBHSA-N 0 0 317.182 4.354 50 0 DIAARN CCc1c(C)scc1C1N=NC(=S)N1c1cccc(C)c1 ZINC000006533565 181350959 /nfs/dbraw/zinc/35/09/59/181350959.db2.gz GUHSDKXAFYYLEJ-UHFFFAOYSA-N 0 0 315.467 4.464 50 0 DIAARN COc1ccccc1-n1cnnc1SC/C=C/c1ccccc1 ZINC000006534763 181351344 /nfs/dbraw/zinc/35/13/44/181351344.db2.gz MMOVAWYKZWUEBY-JXMROGBWSA-N 0 0 323.421 4.081 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)CN(C)Cc1ccccc1 ZINC000006552202 181353367 /nfs/dbraw/zinc/35/33/67/181353367.db2.gz RXLSOSMLKIBUPI-INIZCTEOSA-N 0 0 310.441 4.271 50 0 DIAARN Cn1c(=S)[nH]nc1-c1csc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006563407 181355698 /nfs/dbraw/zinc/35/56/98/181355698.db2.gz ITZRENALTDLJBF-SECBINFHSA-N 0 0 307.488 4.357 50 0 DIAARN O=C1CCCN1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006588582 181357814 /nfs/dbraw/zinc/35/78/14/181357814.db2.gz FQQFKDHMAZMAQJ-UHFFFAOYSA-N 0 0 301.773 4.046 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)c1sccc1-c1ccccc1 ZINC000006589913 181358480 /nfs/dbraw/zinc/35/84/80/181358480.db2.gz QQDJUCHBENKILQ-UHFFFAOYSA-N 0 0 323.373 4.396 50 0 DIAARN Cc1nc(SCC(=O)c2ccc[nH]2)n(C2CCCCC2)c1C ZINC000006589130 181357594 /nfs/dbraw/zinc/35/75/94/181357594.db2.gz NITYTUBMDQKTNH-UHFFFAOYSA-N 0 0 317.458 4.308 50 0 DIAARN CCCCCc1nnc(NC(=O)CSc2ccccc2)s1 ZINC000006597875 181359218 /nfs/dbraw/zinc/35/92/18/181359218.db2.gz SFDJPPLHLNJXMV-UHFFFAOYSA-N 0 0 321.471 4.002 50 0 DIAARN COc1ccc(-c2coc3cc4oc(=O)ccc4cc32)cc1OC ZINC000006624061 181362037 /nfs/dbraw/zinc/36/20/37/181362037.db2.gz MCXCNKODGVMICM-UHFFFAOYSA-N 0 0 322.316 4.223 50 0 biogenic DIAARN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000006626536 181362490 /nfs/dbraw/zinc/36/24/90/181362490.db2.gz ZEIUHVACLXGHAH-CQSZACIVSA-N 0 0 315.388 4.205 50 0 DIAARN O=C(c1cc(Cl)nc2ccccc21)N1CCCc2ccccc21 ZINC000006647644 181364446 /nfs/dbraw/zinc/36/44/46/181364446.db2.gz LOAHSUDQUHKBBJ-UHFFFAOYSA-N 0 0 322.795 4.481 50 0 DIAARN CC(=O)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000006651684 181364866 /nfs/dbraw/zinc/36/48/66/181364866.db2.gz PLMJKHMFXYFYGR-UHFFFAOYSA-N 0 0 321.298 4.089 50 0 DIAARN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000006654421 181365955 /nfs/dbraw/zinc/36/59/55/181365955.db2.gz FTABGKWBXLILMY-SNVBAGLBSA-N 0 0 324.207 4.493 50 0 DIAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)c1 ZINC000006654281 181365974 /nfs/dbraw/zinc/36/59/74/181365974.db2.gz UKMOCSGCPDZZAC-UHFFFAOYSA-N 0 0 324.405 4.328 50 0 DIAARN CC[C@H](C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000006657796 181367003 /nfs/dbraw/zinc/36/70/03/181367003.db2.gz IHKFANIBBSIACI-SUMWQHHRSA-N 0 0 307.397 4.331 50 0 DIAARN COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC ZINC000006661867 181367399 /nfs/dbraw/zinc/36/73/99/181367399.db2.gz CFBWJHNUHGLYRW-UHFFFAOYSA-N 0 0 324.380 4.054 50 0 DIAARN COc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 ZINC000006671306 181368578 /nfs/dbraw/zinc/36/85/78/181368578.db2.gz YLYLYDUVNDSPEF-UHFFFAOYSA-N 0 0 324.405 4.444 50 0 DIAARN COc1ccc(-c2n[nH]c(=S)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000006680788 181370370 /nfs/dbraw/zinc/37/03/70/181370370.db2.gz CHCRBWOCGQHFCL-FZMZJTMJSA-N 0 0 303.431 4.367 50 0 DIAARN COc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 ZINC000006694035 181371180 /nfs/dbraw/zinc/37/11/80/181371180.db2.gz FPWUAYWXGLSBMJ-UHFFFAOYSA-N 0 0 322.412 4.150 50 0 DIAARN O=C(Nc1cccc(-c2csnn2)c1)c1ccc(Cl)cc1 ZINC000006697422 181371587 /nfs/dbraw/zinc/37/15/87/181371587.db2.gz OKTVEHKPYXCHTL-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Cc1occc1-c1nc(-c2cccc(Br)c2)no1 ZINC000006697486 181371745 /nfs/dbraw/zinc/37/17/45/181371745.db2.gz ZDHLOHAERFFBLZ-UHFFFAOYSA-N 0 0 305.131 4.068 50 0 DIAARN O=C(Nc1ccc(O)cc1)c1ccccc1OCc1ccccc1 ZINC000006697525 181371791 /nfs/dbraw/zinc/37/17/91/181371791.db2.gz JGZQMEPFCLXYBU-UHFFFAOYSA-N 0 0 319.360 4.224 50 0 DIAARN Fc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1 ZINC000006701666 181373814 /nfs/dbraw/zinc/37/38/14/181373814.db2.gz ZNWXPEFFTNPUND-UHFFFAOYSA-N 0 0 319.133 4.305 50 0 DIAARN COc1ccc(Cl)cc1-c1noc(-c2ccc(C)cc2)n1 ZINC000006701847 181373509 /nfs/dbraw/zinc/37/35/09/181373509.db2.gz LIBGEFSCHBSRNH-UHFFFAOYSA-N 0 0 300.745 4.374 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1C ZINC000006715165 181375699 /nfs/dbraw/zinc/37/56/99/181375699.db2.gz ZOODWMMOWHRFDB-UHFFFAOYSA-N 0 0 320.190 4.105 50 0 DIAARN CC(C)=CC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206995946 201432338 /nfs/dbraw/zinc/43/23/38/201432338.db2.gz MDXNPHBMPYVLHG-OAHLLOKOSA-N 0 0 309.862 4.313 50 0 DIAARN O=C(NCc1cccs1)Nc1cc(Cl)ccc1Cl ZINC000006731349 181378954 /nfs/dbraw/zinc/37/89/54/181378954.db2.gz MEEMXBRDZOHCPY-UHFFFAOYSA-N 0 0 301.198 4.377 50 0 DIAARN Cc1ccc2nc(Nc3cccc(Cl)c3C)c3nncn3c2c1 ZINC000006802943 181391248 /nfs/dbraw/zinc/39/12/48/181391248.db2.gz FHUVLYKJKUTINL-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN Cc1cccc(CSc2nnc(NC(=O)CC(C)C)s2)c1 ZINC000006739529 181380486 /nfs/dbraw/zinc/38/04/86/181380486.db2.gz JAJBURPEELJPSE-UHFFFAOYSA-N 0 0 321.471 4.123 50 0 DIAARN CCCOc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000006746635 181381665 /nfs/dbraw/zinc/38/16/65/181381665.db2.gz OWFZJGLOOJAGEP-UHFFFAOYSA-N 0 0 324.174 4.083 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000006745893 181381683 /nfs/dbraw/zinc/38/16/83/181381683.db2.gz IXVYZOJWFPKWKQ-IBGZPJMESA-N 0 0 324.424 4.176 50 0 DIAARN CCCn1c2ccccc2nc1SC[C@H](O)c1ccccc1 ZINC000006746140 181381723 /nfs/dbraw/zinc/38/17/23/181381723.db2.gz FQNHCKADRKTGCZ-KRWDZBQOSA-N 0 0 312.438 4.272 50 0 DIAARN CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@](C)(CC)O3 ZINC000006751195 181382995 /nfs/dbraw/zinc/38/29/95/181382995.db2.gz PSGJLEVDSGLKJJ-SFHVURJKSA-N 0 0 316.353 4.052 50 0 DIAARN CCN(c1ccccc1)c1nc2ccc(Cl)cc2n2cnnc12 ZINC000006752082 181383012 /nfs/dbraw/zinc/38/30/12/181383012.db2.gz PRCHFZPHBRYHCS-UHFFFAOYSA-N 0 0 323.787 4.089 50 0 DIAARN CC[C@H](C)NC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000006750728 181383233 /nfs/dbraw/zinc/38/32/33/181383233.db2.gz SONRFOSURNSVBO-ZDUSSCGKSA-N 0 0 312.438 4.285 50 0 DIAARN CCCCn1c(COc2cccc(OC)c2)nc2ccccc21 ZINC000006753106 181383356 /nfs/dbraw/zinc/38/33/56/181383356.db2.gz VLCDWBWEKLUIIZ-UHFFFAOYSA-N 0 0 310.397 4.424 50 0 DIAARN CCc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1 ZINC000006752034 181383374 /nfs/dbraw/zinc/38/33/74/181383374.db2.gz VZGOTRNDAWSSLS-UHFFFAOYSA-N 0 0 323.787 4.237 50 0 DIAARN Cc1ccc(-n2ncc3c2C[C@@H](c2ccccc2C)CC3=O)cc1 ZINC000006757782 181383973 /nfs/dbraw/zinc/38/39/73/181383973.db2.gz GTKCTMJVHDNCDI-MRXNPFEDSA-N 0 0 316.404 4.402 50 0 DIAARN Cc1ccc(Cl)c2c1N(Cc1ccccc1Cl)C(=O)C2=O ZINC000006757128 181384046 /nfs/dbraw/zinc/38/40/46/181384046.db2.gz PFMSFGZCZRORMP-UHFFFAOYSA-N 0 0 320.175 4.031 50 0 DIAARN Nc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3 ZINC000006758865 181384373 /nfs/dbraw/zinc/38/43/73/181384373.db2.gz CTPBGMJSEHDYQA-UHFFFAOYSA-N 0 0 317.344 4.277 50 0 DIAARN Cc1c2c(n(Cc3ccc(C)cc3)c1C(=O)NC(C)C)CCCC2 ZINC000006773157 181386143 /nfs/dbraw/zinc/38/61/43/181386143.db2.gz HEHKZLBPBSNTPP-UHFFFAOYSA-N 0 0 324.468 4.170 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(C)cc2C)n(-c2ccccc2)n1 ZINC000006772288 181386280 /nfs/dbraw/zinc/38/62/80/181386280.db2.gz COALTNCGWCHWTN-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN CCc1nnc2c(Nc3cc(C)cc(C)c3)nc3ccccc3n12 ZINC000006791867 181389728 /nfs/dbraw/zinc/38/97/28/181389728.db2.gz BUZXOULDQWEVKK-UHFFFAOYSA-N 0 0 317.396 4.200 50 0 DIAARN CSc1cccc(Nc2c(=O)c(=O)c2-c2ccc(C)c(C)c2)c1 ZINC000006791659 181389870 /nfs/dbraw/zinc/38/98/70/181389870.db2.gz DZPNMEROCROILF-UHFFFAOYSA-N 0 0 323.417 4.032 50 0 DIAARN CC1CCC(NC(=O)c2cc3sc(Cl)cc3n2C)CC1 ZINC000006804699 181391912 /nfs/dbraw/zinc/39/19/12/181391912.db2.gz XXUPTDSQFPTSJS-UHFFFAOYSA-N 0 0 310.850 4.202 50 0 DIAARN CCc1ccccc1NC(=O)c1sc(-n2cccc2)nc1C ZINC000006806371 181391972 /nfs/dbraw/zinc/39/19/72/181391972.db2.gz LBOYLMLHJIDYKY-UHFFFAOYSA-N 0 0 311.410 4.057 50 0 DIAARN CCc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1 ZINC000006806388 181392072 /nfs/dbraw/zinc/39/20/72/181392072.db2.gz XTQZNQAXKNNWPE-UHFFFAOYSA-N 0 0 311.410 4.057 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000006811445 181393246 /nfs/dbraw/zinc/39/32/46/181393246.db2.gz COYSUMDCDPEVHT-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN Cc1ccc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2c1 ZINC000006811205 181393364 /nfs/dbraw/zinc/39/33/64/181393364.db2.gz JHHNOBBRNNSOCA-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN Cc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c(C)c1 ZINC000006811377 181393510 /nfs/dbraw/zinc/39/35/10/181393510.db2.gz SIDXTDSAJKNSCZ-UHFFFAOYSA-N 0 0 321.376 4.279 50 0 DIAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 ZINC000006810657 181393582 /nfs/dbraw/zinc/39/35/82/181393582.db2.gz QVHUQUNNHHDPPC-UHFFFAOYSA-N 0 0 305.377 4.431 50 0 DIAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000006894433 181402682 /nfs/dbraw/zinc/40/26/82/181402682.db2.gz PZPBGQZCWURSNJ-DVOMOZLQSA-N 0 0 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182073624 /nfs/dbraw/zinc/07/36/24/182073624.db2.gz DSKBWPUVUPZXOI-TXEJJXNPSA-N 0 0 322.861 4.073 50 0 DIAARN O=C1CS[C@@H](c2ccccc2Cl)N1c1ccc(F)cc1 ZINC000017197939 182080302 /nfs/dbraw/zinc/08/03/02/182080302.db2.gz XJYLMYKDTUUHDF-HNNXBMFYSA-N 0 0 307.777 4.258 50 0 DIAARN CCc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000018117212 182094138 /nfs/dbraw/zinc/09/41/38/182094138.db2.gz RCMJRFCIIQUMFA-UHFFFAOYSA-N 0 0 321.789 4.061 50 0 DIAARN Cc1cc(F)c(F)c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1Cl ZINC000018127652 182094155 /nfs/dbraw/zinc/09/41/55/182094155.db2.gz JDWMTXGINVSHEU-AOOOYVTPSA-N 0 0 301.764 4.330 50 0 DIAARN CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000018247586 182101004 /nfs/dbraw/zinc/10/10/04/182101004.db2.gz DTRRCUQQVYIPNX-VXGBXAGGSA-N 0 0 324.207 4.229 50 0 DIAARN COCCOC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000018272338 182101364 /nfs/dbraw/zinc/10/13/64/182101364.db2.gz XZBOMXGQNKJMDE-UHFFFAOYSA-N 0 0 321.376 4.013 50 0 DIAARN CC1(C)CCCC2=C1C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1C2 ZINC000018203037 182098017 /nfs/dbraw/zinc/09/80/17/182098017.db2.gz HUIBWWOGCNJTFS-JKSUJKDBSA-N 0 0 309.409 4.093 50 0 biogenic DIAARN Cc1cccnc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000018231154 182100269 /nfs/dbraw/zinc/10/02/69/182100269.db2.gz YAINLBBJHMEATA-UHFFFAOYSA-N 0 0 304.349 4.435 50 0 DIAARN COc1ccccc1Oc1ccc(NC(=O)c2ccncc2)cc1 ZINC000018238693 182100361 /nfs/dbraw/zinc/10/03/61/182100361.db2.gz QSUDWVZUXLRYFP-UHFFFAOYSA-N 0 0 320.348 4.135 50 0 DIAARN O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCCO2 ZINC000019170835 182106593 /nfs/dbraw/zinc/10/65/93/182106593.db2.gz QCUMEQLRDGCLSW-UHFFFAOYSA-N 0 0 319.360 4.253 50 0 DIAARN Cc1ccc(N)cc1NC(=O)c1cccc(OCCC(C)C)c1 ZINC000019736132 182140155 /nfs/dbraw/zinc/14/01/55/182140155.db2.gz QLPMNGRPEAWBPG-UHFFFAOYSA-N 0 0 312.413 4.254 50 0 DIAARN Cc1cc(Nc2ccc(N(C)C)cc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000019691612 182137635 /nfs/dbraw/zinc/13/76/35/182137635.db2.gz LJODJOOUHMKNTG-UHFFFAOYSA-N 0 0 321.380 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CCN(Cc1ccccc1)c1ccc(Br)cc1N ZINC000020486168 182223320 /nfs/dbraw/zinc/22/33/20/182223320.db2.gz GHOWWJYCGVYPLY-UHFFFAOYSA-N 0 0 305.219 4.058 50 0 DIAARN O=C(NCCc1cccc(Cl)c1)Nc1ccc2c(c1)CCC2 ZINC000020437160 182217313 /nfs/dbraw/zinc/21/73/13/182217313.db2.gz GGZSLZFHTDZRLL-UHFFFAOYSA-N 0 0 314.816 4.193 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F ZINC000020457882 182220291 /nfs/dbraw/zinc/22/02/91/182220291.db2.gz RNEBOLFHNLWNRU-UHFFFAOYSA-N 0 0 313.159 4.454 50 0 DIAARN C[C@H]1Cn2c(C(=O)NCc3ccccc3)cc3cccc(c32)S1 ZINC000020559758 182232695 /nfs/dbraw/zinc/23/26/95/182232695.db2.gz CIAWJNKOGZVPLJ-ZDUSSCGKSA-N 0 0 322.433 4.066 50 0 DIAARN CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C ZINC000020487711 182223685 /nfs/dbraw/zinc/22/36/85/182223685.db2.gz SQGVTKVOKRQIGF-UHFFFAOYSA-N 0 0 324.302 4.105 50 0 DIAARN CC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000020487698 182223706 /nfs/dbraw/zinc/22/37/06/182223706.db2.gz KFMKPONKCUVTHE-UHFFFAOYSA-N 0 0 324.302 4.105 50 0 DIAARN O=C(NCc1ccccc1Cl)Nc1ccc(Cl)cc1F ZINC000020495102 182224540 /nfs/dbraw/zinc/22/45/40/182224540.db2.gz VRGNSAQLBOUMOH-UHFFFAOYSA-N 0 0 313.159 4.454 50 0 DIAARN CC(C)c1ccc(-c2c(N[C@@H](C)c3ccccc3)c(=O)c2=O)cc1 ZINC000020510245 182225957 /nfs/dbraw/zinc/22/59/57/182225957.db2.gz FDSSGCKORFZFPB-AWEZNQCLSA-N 0 0 319.404 4.246 50 0 DIAARN O=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1F ZINC000020522061 182226366 /nfs/dbraw/zinc/22/63/66/182226366.db2.gz GNZWMCQZERMAOR-UHFFFAOYSA-N 0 0 306.768 4.233 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCCc2ccccc21 ZINC000020533665 182228088 /nfs/dbraw/zinc/22/80/88/182228088.db2.gz OEVVFDATAUCNQU-IBGZPJMESA-N 0 0 306.409 4.374 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020551165 182230261 /nfs/dbraw/zinc/23/02/61/182230261.db2.gz NNRYAXSCVZWXPL-CYBMUJFWSA-N 0 0 310.397 4.067 50 0 DIAARN Clc1ccc2c(c1)C=C(c1nnc(-c3cccnc3)o1)C=CO2 ZINC000020727506 182244699 /nfs/dbraw/zinc/24/46/99/182244699.db2.gz FSPXMLRFDDDHRE-UHFFFAOYSA-N 0 0 323.739 4.232 50 0 DIAARN CN(C(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccccc1F ZINC000020575443 182234541 /nfs/dbraw/zinc/23/45/41/182234541.db2.gz LMNWLIUALZIPFS-UHFFFAOYSA-N 0 0 319.339 4.132 50 0 DIAARN CCN(C(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccccc1 ZINC000020575457 182234976 /nfs/dbraw/zinc/23/49/76/182234976.db2.gz IKHSAYFKBLXTRR-UHFFFAOYSA-N 0 0 315.376 4.383 50 0 DIAARN O=C(Nc1ccccc1F)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575377 182235217 /nfs/dbraw/zinc/23/52/17/182235217.db2.gz VZROCEZSKRCFGJ-UHFFFAOYSA-N 0 0 305.312 4.108 50 0 DIAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)c2c[nH]nc2N1 ZINC000020730560 182244574 /nfs/dbraw/zinc/24/45/74/182244574.db2.gz IFHPNIURUZTACL-LLVKDONJSA-N 0 0 314.197 4.141 50 0 DIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000020900293 182252883 /nfs/dbraw/zinc/25/28/83/182252883.db2.gz SOVCWFAEGHIZLM-HNNXBMFYSA-N 0 0 317.820 4.449 50 0 DIAARN Cc1cccc(-c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)c1 ZINC000020900019 182252957 /nfs/dbraw/zinc/25/29/57/182252957.db2.gz LTEJLTQIEFXGSQ-UHFFFAOYSA-N 0 0 319.364 4.061 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)cc1C ZINC000020921770 182253885 /nfs/dbraw/zinc/25/38/85/182253885.db2.gz HCPSZDVDXSDBEM-UHFFFAOYSA-N 0 0 323.371 4.189 50 0 DIAARN CCc1ccc(NC(=O)c2nc3ccccc3nc2Cl)cc1 ZINC000020854139 182249200 /nfs/dbraw/zinc/24/92/00/182249200.db2.gz IEOZEFUSSCRVED-UHFFFAOYSA-N 0 0 311.772 4.098 50 0 DIAARN Brc1ccc(Cc2nnc(-c3ccccc3)o2)cc1 ZINC000020854481 182249338 /nfs/dbraw/zinc/24/93/38/182249338.db2.gz HZUUCAWRNAKZHP-UHFFFAOYSA-N 0 0 315.170 4.090 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2ccc(F)cc2s1 ZINC000020889624 182252124 /nfs/dbraw/zinc/25/21/24/182252124.db2.gz CYEHFZBIMUWZIQ-UHFFFAOYSA-N 0 0 315.325 4.021 50 0 DIAARN Fc1ccccc1-c1nnc(SCCOc2ccccc2)o1 ZINC000020897145 182252295 /nfs/dbraw/zinc/25/22/95/182252295.db2.gz PECFXEBGPZITDG-UHFFFAOYSA-N 0 0 316.357 4.047 50 0 DIAARN Cc1ccc(NC(=O)c2cccc3c2SCCC3=O)cc1C ZINC000021103173 182265285 /nfs/dbraw/zinc/26/52/85/182265285.db2.gz NOCVOHDHPOYVTM-UHFFFAOYSA-N 0 0 311.406 4.234 50 0 DIAARN O=C(NCc1ccccc1)Nc1nc2c(s1)CCCCCC2 ZINC000021087908 182264986 /nfs/dbraw/zinc/26/49/86/182264986.db2.gz FFMBGPYAVXZDEN-UHFFFAOYSA-N 0 0 315.442 4.124 50 0 DIAARN CCCCNC(=O)c1ccc(N2c3ccccc3C[C@H]2C)s1 ZINC000020985991 182257392 /nfs/dbraw/zinc/25/73/92/182257392.db2.gz ULJUIRZUYGAXPE-CYBMUJFWSA-N 0 0 314.454 4.361 50 0 DIAARN CCSCCn1ccc(-c2cccc(-c3ccnc(C)n3)c2)n1 ZINC000020998252 182258220 /nfs/dbraw/zinc/25/82/20/182258220.db2.gz UDVIGYKADREBSD-UHFFFAOYSA-N 0 0 324.453 4.069 50 0 DIAARN O=C(C[C@H](c1cccs1)n1cccc1)Nc1ccc(F)cc1 ZINC000020997043 182258272 /nfs/dbraw/zinc/25/82/72/182258272.db2.gz ZROOREJPNJZCRU-OAHLLOKOSA-N 0 0 314.385 4.307 50 0 DIAARN Cc1ccc(CNC(=O)C[C@H](c2cccs2)n2cccc2)cc1 ZINC000020997066 182258314 /nfs/dbraw/zinc/25/83/14/182258314.db2.gz TUTQAWJMVZGEGV-QGZVFWFLSA-N 0 0 324.449 4.154 50 0 DIAARN COC(=O)c1cc(-c2ccccc2OC(F)(F)F)ccc1F ZINC000097757033 193754514 /nfs/dbraw/zinc/75/45/14/193754514.db2.gz AWDOWCJGVLLHDI-UHFFFAOYSA-N 0 0 314.234 4.178 50 0 DIAARN CCOc1ccc(NC(=O)C[C@H](c2ccco2)n2cccc2)cc1 ZINC000020997334 182258332 /nfs/dbraw/zinc/25/83/32/182258332.db2.gz RXMTZWZKJYFOKU-QGZVFWFLSA-N 0 0 324.380 4.098 50 0 DIAARN COc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1 ZINC000021016065 182260769 /nfs/dbraw/zinc/26/07/69/182260769.db2.gz WHTCRRQJYWSBOU-LJQANCHMSA-N 0 0 320.392 4.115 50 0 DIAARN Cc1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3[nH]2)cnc1C ZINC000097743143 193753289 /nfs/dbraw/zinc/75/32/89/193753289.db2.gz AFRNUDOESBMWCT-CQSZACIVSA-N 0 0 307.397 4.013 50 0 DIAARN O=C(CSc1ccc(F)c(Cl)c1)NC1CCCCCC1 ZINC000021410384 182273411 /nfs/dbraw/zinc/27/34/11/182273411.db2.gz DQVWDRDSBRFFSM-UHFFFAOYSA-N 0 0 315.841 4.410 50 0 DIAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1 ZINC000021171022 182268119 /nfs/dbraw/zinc/26/81/19/182268119.db2.gz CONQBQRLTFVHNI-LJQANCHMSA-N 0 0 324.424 4.257 50 0 DIAARN O=C(NC1CCCCCCC1)c1cc(-c2cccs2)on1 ZINC000021334996 182271903 /nfs/dbraw/zinc/27/19/03/182271903.db2.gz UBTLBPXULTWISX-UHFFFAOYSA-N 0 0 304.415 4.246 50 0 DIAARN Cc1nc(CC(=O)Nc2ccccc2-c2ccccc2)cs1 ZINC000021357654 182272764 /nfs/dbraw/zinc/27/27/64/182272764.db2.gz IFZVSJUJOHCASI-UHFFFAOYSA-N 0 0 308.406 4.300 50 0 DIAARN CC(C)CCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000021714586 182284901 /nfs/dbraw/zinc/28/49/01/182284901.db2.gz UFFNOEBZMRYIQL-UHFFFAOYSA-N 0 0 316.792 4.396 50 0 DIAARN CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000021715420 182284994 /nfs/dbraw/zinc/28/49/94/182284994.db2.gz GSWKAVYSENRQSD-NRFANRHFSA-N 0 0 318.420 4.442 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)CCc2ccccc2)no1 ZINC000021719047 182285140 /nfs/dbraw/zinc/28/51/40/182285140.db2.gz UHPLQACEOGGOQK-KRWDZBQOSA-N 0 0 312.413 4.094 50 0 DIAARN CCCOc1ccc(CN2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021720366 182285807 /nfs/dbraw/zinc/28/58/07/182285807.db2.gz SVZIYCQCLSUAOI-SFHVURJKSA-N 0 0 300.402 4.109 50 0 DIAARN CCCc1cc([C@H]2CCCN2Cc2cc(F)cc(F)c2)no1 ZINC000021720387 182285829 /nfs/dbraw/zinc/28/58/29/182285829.db2.gz RZLLNBFENRVSEC-QGZVFWFLSA-N 0 0 306.356 4.242 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)on1 ZINC000021719600 182285953 /nfs/dbraw/zinc/28/59/53/182285953.db2.gz IYHBFZYOPQEAAN-ZDUSSCGKSA-N 0 0 322.767 4.007 50 0 DIAARN CCCc1cc([C@H]2CCCN2Cc2ccc(OCC)cc2)no1 ZINC000021720494 182286120 /nfs/dbraw/zinc/28/61/20/182286120.db2.gz UXYIRAZHOPWFSH-LJQANCHMSA-N 0 0 314.429 4.363 50 0 DIAARN Cc1cc([C@@H]2CCCN2Cc2ccc(OC(C)C)cc2)no1 ZINC000021720350 182286505 /nfs/dbraw/zinc/28/65/05/182286505.db2.gz NZXFHTZCCGFOCV-SFHVURJKSA-N 0 0 300.402 4.107 50 0 DIAARN Cc1noc(C(C)C)c1C(=O)NCCCc1ccc(C)cc1C ZINC000021558312 182280508 /nfs/dbraw/zinc/28/05/08/182280508.db2.gz IGDMUXBCJIQGPM-UHFFFAOYSA-N 0 0 314.429 4.086 50 0 DIAARN Fc1ccccc1-c1noc(NCc2cccc(Cl)c2)n1 ZINC000021630137 182281384 /nfs/dbraw/zinc/28/13/84/182281384.db2.gz AELAHBCTGUMMTN-UHFFFAOYSA-N 0 0 303.724 4.141 50 0 DIAARN COc1cccc(-c2noc(NCc3ccc(Cl)cc3)n2)c1 ZINC000021631011 182281497 /nfs/dbraw/zinc/28/14/97/182281497.db2.gz PBMSNMXPARRCCY-UHFFFAOYSA-N 0 0 315.760 4.011 50 0 DIAARN Cc1cc(F)ccc1NC(=O)c1ncoc1-c1cccs1 ZINC000021641867 182281872 /nfs/dbraw/zinc/28/18/72/182281872.db2.gz FJLRUSUMYKSMAQ-UHFFFAOYSA-N 0 0 302.330 4.103 50 0 DIAARN COc1cc(Cl)ccc1Oc1ncnc2sc(C)cc21 ZINC000021641555 182281962 /nfs/dbraw/zinc/28/19/62/182281962.db2.gz XEYJOQOAMAMTED-UHFFFAOYSA-N 0 0 306.774 4.454 50 0 DIAARN CCOC(=O)c1cnc(NCc2ccc(F)cc2)c2ccccc12 ZINC000021650132 182282156 /nfs/dbraw/zinc/28/21/56/182282156.db2.gz VOXAFKHPHXERHQ-UHFFFAOYSA-N 0 0 324.355 4.163 50 0 DIAARN O=C(Nc1ccccc1Cl)c1ncoc1-c1cccs1 ZINC000021641698 182282218 /nfs/dbraw/zinc/28/22/18/182282218.db2.gz FORRZRNADWIGBP-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 DIAARN C/C=C/c1ccc(OCc2nc3cc(F)ccc3[nH]2)c(OC)c1 ZINC000021658820 182282584 /nfs/dbraw/zinc/28/25/84/182282584.db2.gz CFIBUZXYQCTTIT-ONEGZZNKSA-N 0 0 312.344 4.323 50 0 biogenic DIAARN CC[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000021705670 182284004 /nfs/dbraw/zinc/28/40/04/182284004.db2.gz HEVSGXACPLJNIY-QGZVFWFLSA-N 0 0 307.437 4.028 50 0 DIAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)no2)cc1 ZINC000021786481 182289213 /nfs/dbraw/zinc/28/92/13/182289213.db2.gz CZCLHUYDFFQRND-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000021798884 182290830 /nfs/dbraw/zinc/29/08/30/182290830.db2.gz UMCWYIGUQZDPRB-LLVKDONJSA-N 0 0 312.392 4.363 50 0 DIAARN CC(C)(C)c1ccc(CCC(=O)Nn2cnc3ccccc32)cc1 ZINC000021866667 182294786 /nfs/dbraw/zinc/29/47/86/182294786.db2.gz PWKVXGWYKGUOEJ-UHFFFAOYSA-N 0 0 321.424 4.037 50 0 DIAARN O=C(CCc1ccsc1)NCc1ccc(Cl)cc1Cl ZINC000021889522 182296986 /nfs/dbraw/zinc/29/69/86/182296986.db2.gz ZYNDOYMHFDSKSN-UHFFFAOYSA-N 0 0 314.237 4.304 50 0 DIAARN Cc1occc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022021193 182304437 /nfs/dbraw/zinc/30/44/37/182304437.db2.gz PBEPVHXZNAPYAX-UHFFFAOYSA-N 0 0 313.353 4.272 50 0 DIAARN COc1ccc(COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1F ZINC000022134756 182310820 /nfs/dbraw/zinc/31/08/20/182310820.db2.gz LLGRFKPHIQKVAB-GFCCVEGCSA-N 0 0 314.356 4.412 50 0 DIAARN COc1ccc(COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1F ZINC000022134755 182310852 /nfs/dbraw/zinc/31/08/52/182310852.db2.gz LLGRFKPHIQKVAB-LBPRGKRZSA-N 0 0 314.356 4.412 50 0 DIAARN CN(Cc1ccsc1)C(=O)c1cc2c(cccc2F)s1 ZINC000021935602 182299212 /nfs/dbraw/zinc/29/92/12/182299212.db2.gz ASSVLFZKTWULOL-UHFFFAOYSA-N 0 0 305.399 4.374 50 0 DIAARN CN(Cc1ccsc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000021935631 182299245 /nfs/dbraw/zinc/29/92/45/182299245.db2.gz HOZCNLKRPJINDP-UHFFFAOYSA-N 0 0 312.438 4.211 50 0 DIAARN Cc1cccc(-c2cc(C(=O)N(CC(C)C)CC(C)C)no2)c1 ZINC000022330151 182318084 /nfs/dbraw/zinc/31/80/84/182318084.db2.gz IKRMAHXGKYPBHZ-UHFFFAOYSA-N 0 0 314.429 4.404 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@H](NC(=O)[C@@H]1CC=CCC1)C3 ZINC000022331681 182319021 /nfs/dbraw/zinc/31/90/21/182319021.db2.gz RHALYAJGDMMTJM-CVEARBPZSA-N 0 0 322.452 4.060 50 0 DIAARN CCOc1cc2ccccc2cc1C(=O)Nc1cc(C)ccn1 ZINC000022190255 182312722 /nfs/dbraw/zinc/31/27/22/182312722.db2.gz ZDBHWCXRMGFOBI-UHFFFAOYSA-N 0 0 306.365 4.194 50 0 DIAARN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000022551844 182326184 /nfs/dbraw/zinc/32/61/84/182326184.db2.gz FFYLBJYWPZLJNQ-CYBMUJFWSA-N 0 0 321.207 4.366 50 0 DIAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3O)c2)cs1 ZINC000022747006 182332441 /nfs/dbraw/zinc/33/24/41/182332441.db2.gz ONBSCWFIGYTHRM-UHFFFAOYSA-N 0 0 310.378 4.076 50 0 DIAARN Cc1noc(-c2cccs2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000022648869 182329598 /nfs/dbraw/zinc/32/95/98/182329598.db2.gz PDILUWQYIMIGDC-NSHDSACASA-N 0 0 312.394 4.203 50 0 DIAARN Cc1cc(C(=O)CSC2=Nc3ccccc3CS2)c(C)[nH]1 ZINC000022416963 182321641 /nfs/dbraw/zinc/32/16/41/182321641.db2.gz UGRHGBVXBBYDGC-UHFFFAOYSA-N 0 0 316.451 4.482 50 0 DIAARN COc1ccc(F)cc1-c1csc(NCc2ccco2)n1 ZINC000022504210 182323665 /nfs/dbraw/zinc/32/36/65/182323665.db2.gz JKLMRWYQMOWPNI-UHFFFAOYSA-N 0 0 304.346 4.163 50 0 DIAARN CC[C@@H](NC(=O)Cc1ccccc1C)c1ccc(Cl)cc1 ZINC000022491721 182323758 /nfs/dbraw/zinc/32/37/58/182323758.db2.gz PITJHHRIWXEFHM-QGZVFWFLSA-N 0 0 301.817 4.458 50 0 DIAARN Cc1ccc(CNC(=O)N(C)[C@@H](C)c2cccs2)cc1F ZINC000023174559 182352892 /nfs/dbraw/zinc/35/28/92/182352892.db2.gz FDUXGKKIDSDVKF-LBPRGKRZSA-N 0 0 306.406 4.098 50 0 DIAARN COc1ccc(NC(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000023232865 182353853 /nfs/dbraw/zinc/35/38/53/182353853.db2.gz OTFVBPCQHYBQPO-UHFFFAOYSA-N 0 0 322.767 4.152 50 0 DIAARN O=C(CCc1ccc(-c2ccccc2)o1)NOCc1ccccc1 ZINC000023040063 182345557 /nfs/dbraw/zinc/34/55/57/182345557.db2.gz NUTIOLRYWHBXEW-UHFFFAOYSA-N 0 0 321.376 4.127 50 0 DIAARN C[C@@H](NC(=O)CCc1ccccc1O)c1cccc2ccccc21 ZINC000023433792 182360733 /nfs/dbraw/zinc/36/07/33/182360733.db2.gz VDXXWYKUEQAOOL-OAHLLOKOSA-N 0 0 319.404 4.355 50 0 DIAARN CCOc1ccc(C(=O)N[C@H](C)c2cccs2)cc1OCC ZINC000023435750 182361539 /nfs/dbraw/zinc/36/15/39/182361539.db2.gz MEXADHXGHUMTGZ-GFCCVEGCSA-N 0 0 319.426 4.037 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C1(C)C ZINC000023763303 182367957 /nfs/dbraw/zinc/36/79/57/182367957.db2.gz YAUAFGPTXQMMON-FZMZJTMJSA-N 0 0 315.442 4.315 50 0 DIAARN CCC(CC)C(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000023993928 182371564 /nfs/dbraw/zinc/37/15/64/182371564.db2.gz QRSWFQAZTHIEGC-UHFFFAOYSA-N 0 0 322.412 4.079 50 0 DIAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000023996823 182371957 /nfs/dbraw/zinc/37/19/57/182371957.db2.gz VMDSBEFTUWUUOZ-SFHVURJKSA-N 0 0 322.795 4.254 50 0 DIAARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)s1 ZINC000024070002 182374098 /nfs/dbraw/zinc/37/40/98/182374098.db2.gz YAWDADBKCHFYJW-UHFFFAOYSA-N 0 0 315.847 4.128 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2cc(C)sc2C)cc1 ZINC000024769459 182390762 /nfs/dbraw/zinc/39/07/62/182390762.db2.gz UGQQSGFMOJYSKG-UHFFFAOYSA-N 0 0 302.443 4.463 50 0 DIAARN COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1Cl ZINC000024833176 182392085 /nfs/dbraw/zinc/39/20/85/182392085.db2.gz ZDTLDALVFCUIHR-HNNXBMFYSA-N 0 0 315.800 4.407 50 0 DIAARN Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCCCCC1 ZINC000024478203 182381458 /nfs/dbraw/zinc/38/14/58/182381458.db2.gz NZKXMAUYSWCIQQ-UHFFFAOYSA-N 0 0 302.805 4.213 50 0 DIAARN C[C@@H](Nc1ccc2c(c1)CCC2)c1nnc(-c2ccccc2)o1 ZINC000024518461 182382825 /nfs/dbraw/zinc/38/28/25/182382825.db2.gz VRTWCCBOUCUYEZ-CYBMUJFWSA-N 0 0 305.381 4.398 50 0 DIAARN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)C1CC1 ZINC000024658852 182386581 /nfs/dbraw/zinc/38/65/81/182386581.db2.gz KIEHSPLMAUMHQG-GOSISDBHSA-N 0 0 311.450 4.243 50 0 DIAARN Cc1noc(CNc2cc(Cl)ccc2Oc2ccccc2)n1 ZINC000024661989 182387106 /nfs/dbraw/zinc/38/71/06/182387106.db2.gz AYMLCPJKXFCZLS-UHFFFAOYSA-N 0 0 315.760 4.436 50 0 DIAARN Cc1ccc(NC(=O)c2cccc3ncccc32)c2cccnc12 ZINC000024832722 182392380 /nfs/dbraw/zinc/39/23/80/182392380.db2.gz PWXAFKYIWHLMSW-UHFFFAOYSA-N 0 0 313.360 4.344 50 0 DIAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024692425 182387613 /nfs/dbraw/zinc/38/76/13/182387613.db2.gz HTYNFFSBASMKJD-OAHLLOKOSA-N 0 0 320.392 4.156 50 0 DIAARN CC(=O)c1cccc(NC(=O)CCc2ccc(C)c(Cl)c2)c1 ZINC000024689879 182387640 /nfs/dbraw/zinc/38/76/40/182387640.db2.gz AVCYHGFBFPDSIU-UHFFFAOYSA-N 0 0 315.800 4.422 50 0 DIAARN COc1ccccc1-c1csc(Cc2cn3ccccc3n2)n1 ZINC000024989564 182397546 /nfs/dbraw/zinc/39/75/46/182397546.db2.gz YDPCBXKHXGLDGK-UHFFFAOYSA-N 0 0 321.405 4.057 50 0 DIAARN C/C=C/c1ccc(OCC(=O)N[C@@H](C)CCC(C)C)c(OC)c1 ZINC000024989244 182397722 /nfs/dbraw/zinc/39/77/22/182397722.db2.gz MYELAABTXWVYOJ-LFAOLKIESA-N 0 0 319.445 4.048 50 0 DIAARN Cc1cccc(C2=N/C(=C\c3cc4ccccc4o3)C(=O)O2)c1 ZINC000024888947 182393701 /nfs/dbraw/zinc/39/37/01/182393701.db2.gz FRATXUKDGPBSRB-WJDWOHSUSA-N 0 0 303.317 4.086 50 0 DIAARN COc1ccc(Cl)cc1C(=O)NC1(c2ccccc2)CCC1 ZINC000024865186 182394030 /nfs/dbraw/zinc/39/40/30/182394030.db2.gz XAZIWONSDVDBQY-UHFFFAOYSA-N 0 0 315.800 4.158 50 0 DIAARN O=C(CCCC(=O)c1cccs1)Nc1ccc2ccccc2n1 ZINC000024926418 182395212 /nfs/dbraw/zinc/39/52/12/182395212.db2.gz HEBLUWWFAOFHFE-UHFFFAOYSA-N 0 0 324.405 4.288 50 0 DIAARN CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCc2ccccc21 ZINC000024969039 182395858 /nfs/dbraw/zinc/39/58/58/182395858.db2.gz MJNDILVHXMGXOI-KRWDZBQOSA-N 0 0 317.791 4.168 50 0 DIAARN O=C(NCc1cccs1)c1ccc(-c2ccccc2F)o1 ZINC000024983943 182397132 /nfs/dbraw/zinc/39/71/32/182397132.db2.gz IIFFPNQLDJUGLN-UHFFFAOYSA-N 0 0 301.342 4.077 50 0 DIAARN Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1 ZINC000025297296 182407428 /nfs/dbraw/zinc/40/74/28/182407428.db2.gz LEXRPFNOSFQCSR-ZDUSSCGKSA-N 0 0 319.351 4.396 50 0 DIAARN Cc1ccccc1-n1ccnc1SCC(=O)c1ccccc1 ZINC000026047043 182429401 /nfs/dbraw/zinc/42/94/01/182429401.db2.gz PIXSJHGZMSBKSO-UHFFFAOYSA-N 0 0 308.406 4.156 50 0 DIAARN Cc1cccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 ZINC000026254175 182434517 /nfs/dbraw/zinc/43/45/17/182434517.db2.gz ZWWKKROWWZUWBI-UHFFFAOYSA-N 0 0 318.376 4.221 50 0 DIAARN COc1ccc(C)cc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000026783091 182453484 /nfs/dbraw/zinc/45/34/84/182453484.db2.gz VDRWKLBBXRWJIC-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN FC(F)(F)c1nc(Cl)c2cccc(Br)c2n1 ZINC000026894574 182457649 /nfs/dbraw/zinc/45/76/49/182457649.db2.gz QZXRHWPACDPMTB-UHFFFAOYSA-N 0 0 311.488 4.065 50 0 DIAARN COc1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000027973222 182500872 /nfs/dbraw/zinc/50/08/72/182500872.db2.gz OUTTWKCZCLBWJO-UHFFFAOYSA-N 0 0 308.381 4.056 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C)ccc1F ZINC000028229854 182514293 /nfs/dbraw/zinc/51/42/93/182514293.db2.gz IDEIBYQJPSTGJA-UHFFFAOYSA-N 0 0 323.371 4.189 50 0 DIAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000029240654 182557696 /nfs/dbraw/zinc/55/76/96/182557696.db2.gz AIUZGTARJKBDHG-ANYFNZRUSA-N 0 0 309.287 4.189 50 0 DIAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000100096113 193794567 /nfs/dbraw/zinc/79/45/67/193794567.db2.gz AXWYLXKJHLTUFA-ROUUACIJSA-N 0 0 321.376 4.159 50 0 DIAARN C[C@H]1c2cccn2CCN1Cc1csc(Nc2ccccc2)n1 ZINC000028963212 182547711 /nfs/dbraw/zinc/54/77/11/182547711.db2.gz FIUVKDZWHZEHRW-AWEZNQCLSA-N 0 0 324.453 4.265 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000031082552 182605767 /nfs/dbraw/zinc/60/57/67/182605767.db2.gz BFGPUERDVVLMLI-UHFFFAOYSA-N 0 0 306.365 4.194 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c2cccnc12 ZINC000031095442 182606397 /nfs/dbraw/zinc/60/63/97/182606397.db2.gz IRTYAKYIGJYQMT-ZDUSSCGKSA-N 0 0 324.355 4.088 50 0 DIAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1OC ZINC000031095015 182606691 /nfs/dbraw/zinc/60/66/91/182606691.db2.gz RPDVGQGUYFOBOF-AWEZNQCLSA-N 0 0 316.426 4.298 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)NCCc2cccc3cccnc32)C1(C)C ZINC000032076162 182633338 /nfs/dbraw/zinc/63/33/38/182633338.db2.gz WGKRKUILWWALSA-ROUUACIJSA-N 0 0 322.452 4.132 50 0 DIAARN Nc1nc2c(s1)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000032092399 182634274 /nfs/dbraw/zinc/63/42/74/182634274.db2.gz KJHPYWDFDJMLBZ-LURJTMIESA-N 0 0 314.197 4.156 50 0 DIAARN O=C(/C=C/c1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032094074 182634283 /nfs/dbraw/zinc/63/42/83/182634283.db2.gz KDAYOTBVKQONGK-YRNVUSSQSA-N 0 0 316.404 4.372 50 0 DIAARN Clc1ccccc1C1=Nc2ncnn2[C@@H](c2cccs2)C1 ZINC000100637820 193802510 /nfs/dbraw/zinc/80/25/10/193802510.db2.gz ATLXMYQGSVMIIT-CYBMUJFWSA-N 0 0 314.801 4.049 50 0 DIAARN O=C(c1cc2c(s1)CCCC2)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000032748037 182658352 /nfs/dbraw/zinc/65/83/52/182658352.db2.gz JIACQZCFJQTGKL-DZGCQCFKSA-N 0 0 303.471 4.279 50 0 DIAARN O=C(Nc1ccccc1F)c1csc(Cc2ccccc2)n1 ZINC000032645797 182652759 /nfs/dbraw/zinc/65/27/59/182652759.db2.gz CGSNKFPQRITLAR-UHFFFAOYSA-N 0 0 312.369 4.125 50 0 DIAARN Cc1ccc(CCCNC(=O)c2c[nH]c3ccccc23)c(C)c1 ZINC000032741396 182657536 /nfs/dbraw/zinc/65/75/36/182657536.db2.gz VNBNSHWWSSAMKA-UHFFFAOYSA-N 0 0 306.409 4.147 50 0 DIAARN O=C(CC[C@H]1CCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032816047 182666919 /nfs/dbraw/zinc/66/69/19/182666919.db2.gz JTBJOEVKWLSOLX-QGZVFWFLSA-N 0 0 307.393 4.156 50 0 DIAARN CCCC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960703 182684685 /nfs/dbraw/zinc/68/46/85/182684685.db2.gz FFEMDQMXNBHEBX-UHFFFAOYSA-N 0 0 307.397 4.087 50 0 DIAARN Cc1ccc(CCNC(=O)c2cc(C)nc3c(C)cccc23)cc1 ZINC000032961531 182685405 /nfs/dbraw/zinc/68/54/05/182685405.db2.gz HDWOEKVKWUDIJH-UHFFFAOYSA-N 0 0 318.420 4.133 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)NC[C@@H](C)c3ccccc3)c2c1 ZINC000032961499 182685411 /nfs/dbraw/zinc/68/54/11/182685411.db2.gz XHPPXHLYNUWKJW-OAHLLOKOSA-N 0 0 318.420 4.385 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2Cl)o1 ZINC000033049034 182690222 /nfs/dbraw/zinc/69/02/22/182690222.db2.gz NDKQEMVEPWNVKW-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN CSc1ccccc1C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000032930658 182682035 /nfs/dbraw/zinc/68/20/35/182682035.db2.gz PAGYAHACIODVFE-LBPRGKRZSA-N 0 0 319.857 4.423 50 0 DIAARN Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000033192620 182695991 /nfs/dbraw/zinc/69/59/91/182695991.db2.gz RHVLRGKCMNFOFW-MRVPVSSYSA-N 0 0 312.822 4.312 50 0 DIAARN Cc1ccc(CNC(=O)c2cc(C)nc3c(C)cccc23)cc1 ZINC000033252828 182697952 /nfs/dbraw/zinc/69/79/52/182697952.db2.gz ZBGKSKLCJLFQEX-UHFFFAOYSA-N 0 0 304.393 4.090 50 0 DIAARN Cc1ccc(Nc2nc(C(=O)NC3CCCC3)cs2)c(C)c1 ZINC000033280736 182700131 /nfs/dbraw/zinc/70/01/31/182700131.db2.gz TURYVUUVOULVEL-UHFFFAOYSA-N 0 0 315.442 4.176 50 0 DIAARN Cc1csc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)n1 ZINC000033311108 182701953 /nfs/dbraw/zinc/70/19/53/182701953.db2.gz VSLDECAEQZTDRX-YFHOEESVSA-N 0 0 300.427 4.401 50 0 DIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1ccc(C)cc1 ZINC000035536514 182779496 /nfs/dbraw/zinc/77/94/96/182779496.db2.gz DDKDJFWEHFWQQC-UHFFFAOYSA-N 0 0 324.355 4.028 50 0 DIAARN Nc1c2ccc(-c3ccncc3)nc2sc1-c1ccncc1 ZINC000036358912 182819385 /nfs/dbraw/zinc/81/93/85/182819385.db2.gz UOCLTUVZQDONIJ-UHFFFAOYSA-N 0 0 304.378 4.003 50 0 DIAARN Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000036621121 182830985 /nfs/dbraw/zinc/83/09/85/182830985.db2.gz DWHLLCDRHNPLQF-SFHVURJKSA-N 0 0 312.388 4.181 50 0 DIAARN CCCN(CCC)c1cc(Oc2ccc(C)cc2OC)ncn1 ZINC000037378378 182885132 /nfs/dbraw/zinc/88/51/32/182885132.db2.gz RRQYVPQQDNYAIN-UHFFFAOYSA-N 0 0 315.417 4.212 50 0 DIAARN CCNC(=O)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037526044 182904390 /nfs/dbraw/zinc/90/43/90/182904390.db2.gz WOMFTIWYIXBCQR-UHFFFAOYSA-N 0 0 318.829 4.154 50 0 DIAARN Brc1ccccc1-c1noc(Cc2ccccc2)n1 ZINC000038537046 183001570 /nfs/dbraw/zinc/00/15/70/183001570.db2.gz LPXBFTYWZLFFBZ-UHFFFAOYSA-N 0 0 315.170 4.090 50 0 DIAARN O=C(NCc1cccc(Oc2ccc(F)cc2)c1)c1ccco1 ZINC000038679893 183006144 /nfs/dbraw/zinc/00/61/44/183006144.db2.gz HXFCJMOSLIUXCT-UHFFFAOYSA-N 0 0 311.312 4.141 50 0 DIAARN Cc1ccccc1CN(C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000040071598 183031219 /nfs/dbraw/zinc/03/12/19/183031219.db2.gz YQMODFOONNQRHY-ZDUSSCGKSA-N 0 0 313.426 4.300 50 0 DIAARN O=C(Cc1ccc(F)cc1)NC1CCC(c2ccccc2)CC1 ZINC000040070313 183030454 /nfs/dbraw/zinc/03/04/54/183030454.db2.gz BCVQCUXPBXPRNK-UHFFFAOYSA-N 0 0 311.400 4.211 50 0 DIAARN C[C@@H]1c2ccsc2CCN1C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000040062005 183030589 /nfs/dbraw/zinc/03/05/89/183030589.db2.gz FCFFHEYQSCYDKA-SNVBAGLBSA-N 0 0 314.385 4.128 50 0 DIAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)s1 ZINC000040069852 183030614 /nfs/dbraw/zinc/03/06/14/183030614.db2.gz RLGSIWWAFDOHFG-SNVBAGLBSA-N 0 0 309.818 4.243 50 0 DIAARN CCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 ZINC000039416921 183018330 /nfs/dbraw/zinc/01/83/30/183018330.db2.gz MVEFZZKZBYQFPP-UHFFFAOYSA-N 0 0 314.341 4.174 50 0 DIAARN C[C@@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1 ZINC000040062479 183031020 /nfs/dbraw/zinc/03/10/20/183031020.db2.gz YBHXDNNKXFRIBD-OAHLLOKOSA-N 0 0 324.424 4.447 50 0 DIAARN CCN(C(=O)Nc1ccccc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000040150514 183040129 /nfs/dbraw/zinc/04/01/29/183040129.db2.gz HDQJGNXTLNRVTH-ZDUSSCGKSA-N 0 0 316.376 4.449 50 0 DIAARN CCOc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3C)sc2C)cc1 ZINC000040159996 183040981 /nfs/dbraw/zinc/04/09/81/183040981.db2.gz BQYLIENQHPLNMC-HZMBPMFUSA-N 0 0 316.426 4.112 50 0 DIAARN C[C@H](NC(=O)N[C@H]1CCSc2ccccc21)c1cccs1 ZINC000040071111 183031540 /nfs/dbraw/zinc/03/15/40/183031540.db2.gz UTUOQVGVIVAFKU-AAEUAGOBSA-N 0 0 318.467 4.345 50 0 DIAARN O=C(CCc1ccccc1)Nc1cccnc1Oc1ccccc1 ZINC000040087982 183032838 /nfs/dbraw/zinc/03/28/38/183032838.db2.gz MWSBACWUTGKEGO-UHFFFAOYSA-N 0 0 318.376 4.445 50 0 DIAARN CC(C)c1ccccc1NC(=O)NCc1cc(F)cc(F)c1 ZINC000040097301 183033987 /nfs/dbraw/zinc/03/39/87/183033987.db2.gz UHVJWDWDTYFJNE-UHFFFAOYSA-N 0 0 304.340 4.410 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000040097118 183034171 /nfs/dbraw/zinc/03/41/71/183034171.db2.gz JSUNECUFIGYMAO-QWRGUYRKSA-N 0 0 316.323 4.095 50 0 DIAARN CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C)c1C ZINC000040095309 183034414 /nfs/dbraw/zinc/03/44/14/183034414.db2.gz YXMDNGUFHKERHA-UHFFFAOYSA-N 0 0 300.377 4.497 50 0 DIAARN CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccco1 ZINC000040103342 183034664 /nfs/dbraw/zinc/03/46/64/183034664.db2.gz ALVBEQASRYCCTJ-UHFFFAOYSA-N 0 0 306.793 4.380 50 0 DIAARN CCOc1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040098770 183034689 /nfs/dbraw/zinc/03/46/89/183034689.db2.gz XAIHMFOXGYPKCV-LSDHHAIUSA-N 0 0 302.418 4.129 50 0 DIAARN CCc1cccc(CC)c1NC(=O)NCc1ccccc1F ZINC000040098982 183034864 /nfs/dbraw/zinc/03/48/64/183034864.db2.gz OKIRJHBVYDQYOW-UHFFFAOYSA-N 0 0 300.377 4.272 50 0 DIAARN C[C@H](Cc1ccccc1Cl)NC(=O)CCc1ccsc1 ZINC000040106901 183036108 /nfs/dbraw/zinc/03/61/08/183036108.db2.gz QJEOJYVRWHNICW-GFCCVEGCSA-N 0 0 307.846 4.082 50 0 DIAARN CN(c1ccccc1)c1ccccc1NC(=O)c1ccccn1 ZINC000040114461 183036855 /nfs/dbraw/zinc/03/68/55/183036855.db2.gz IGPIMKZAODEUGM-UHFFFAOYSA-N 0 0 303.365 4.102 50 0 DIAARN CCC(=O)Nc1ccc(C)c(NC(=O)NC2CCC(C)CC2)c1 ZINC000040121336 183038819 /nfs/dbraw/zinc/03/88/19/183038819.db2.gz GGTMHOPTKUBQJU-UHFFFAOYSA-N 0 0 317.433 4.044 50 0 DIAARN COc1ccccc1NC(=O)c1c(Cl)c2ccccc2n1C ZINC000040142987 183039515 /nfs/dbraw/zinc/03/95/15/183039515.db2.gz FMZALQYYCRZFLI-UHFFFAOYSA-N 0 0 314.772 4.093 50 0 DIAARN O=C(Nc1nncs1)c1ccc(-c2ccccc2Cl)s1 ZINC000040286564 183051100 /nfs/dbraw/zinc/05/11/00/183051100.db2.gz DIMXRPPVXJGGDD-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN Cn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040410201 183062775 /nfs/dbraw/zinc/06/27/75/183062775.db2.gz HGFJOMUCXAOJGT-UHFFFAOYSA-N 0 0 306.287 4.171 50 0 DIAARN O=C(c1ccc(-c2ccccc2Cl)s1)N1CCSCC1 ZINC000040268332 183049940 /nfs/dbraw/zinc/04/99/40/183049940.db2.gz KOMZBGZOIOWJMQ-UHFFFAOYSA-N 0 0 323.870 4.258 50 0 DIAARN c1nc(CN2CCC(c3nc4ccccc4s3)CC2)cs1 ZINC000040466155 183072681 /nfs/dbraw/zinc/07/26/81/183072681.db2.gz UPXZXVKGKDNNKR-UHFFFAOYSA-N 0 0 315.467 4.132 50 0 DIAARN Cc1cc(CS[C@H](C)C(=O)Nc2cccc(Cl)c2C)no1 ZINC000040511812 183087123 /nfs/dbraw/zinc/08/71/23/183087123.db2.gz FREKCQVSFKRQSE-LLVKDONJSA-N 0 0 324.833 4.205 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040525638 183092209 /nfs/dbraw/zinc/09/22/09/183092209.db2.gz ZENNGUDCWVZVFC-JTQLQIEISA-N 0 0 320.742 4.455 50 0 DIAARN O=C(Nc1cccc(Cl)c1F)N1CCC[C@H](C(F)(F)F)C1 ZINC000040526669 183092616 /nfs/dbraw/zinc/09/26/16/183092616.db2.gz BIIQYYSAMRCVRB-QMMMGPOBSA-N 0 0 324.705 4.285 50 0 DIAARN O=C(Nc1cccc(Cl)c1F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040526670 183092626 /nfs/dbraw/zinc/09/26/26/183092626.db2.gz BIIQYYSAMRCVRB-MRVPVSSYSA-N 0 0 324.705 4.285 50 0 DIAARN O=C(NC1(c2ccc(Cl)cc2)CC1)OCc1ccccc1 ZINC000040456614 183069158 /nfs/dbraw/zinc/06/91/58/183069158.db2.gz OXPXNHXDSLGNKX-UHFFFAOYSA-N 0 0 301.773 4.256 50 0 DIAARN CSCc1nnc(SCc2csc3ccccc23)o1 ZINC000040555749 183101595 /nfs/dbraw/zinc/10/15/95/183101595.db2.gz VQGUOLPCUWKQIT-UHFFFAOYSA-N 0 0 308.453 4.440 50 0 DIAARN CCN(C(=O)Nc1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1 ZINC000040556389 183102508 /nfs/dbraw/zinc/10/25/08/183102508.db2.gz MCACTWLESDDDIH-ZDUSSCGKSA-N 0 0 314.385 4.016 50 0 DIAARN CC(=O)c1ccc(Nc2nc3ccccc3c(NC3CC3)n2)cc1 ZINC000041149594 183177638 /nfs/dbraw/zinc/17/76/38/183177638.db2.gz GWKVBCQPPPYCEU-UHFFFAOYSA-N 0 0 318.380 4.150 50 0 DIAARN COc1ccc2oc(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 ZINC000041156400 183179331 /nfs/dbraw/zinc/17/93/31/183179331.db2.gz GEIFISDLAXEGTL-LBPRGKRZSA-N 0 0 309.365 4.241 50 0 DIAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)o1 ZINC000042000952 183228695 /nfs/dbraw/zinc/22/86/95/183228695.db2.gz LPFREVUQFHGDFT-YJBOKZPZSA-N 0 0 323.436 4.483 50 0 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CC[C@](C)(CCC(C)C)c1ccc(OCCOCCO)cc1 ZINC000043214996 183345397 /nfs/dbraw/zinc/34/53/97/183345397.db2.gz MXEUZASFOXCTSR-LJQANCHMSA-N 0 0 308.462 4.178 50 0 DIAARN Cc1c2ccccc2oc1[C@@H](C)NC(=S)NCc1ccco1 ZINC000044239234 183399538 /nfs/dbraw/zinc/39/95/38/183399538.db2.gz GGIVPQAWYGZVCY-GFCCVEGCSA-N 0 0 314.410 4.060 50 0 DIAARN COc1ccc(NC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000044844982 183442440 /nfs/dbraw/zinc/44/24/40/183442440.db2.gz HYUGQAOACSMMGN-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1F ZINC000045089760 183481003 /nfs/dbraw/zinc/48/10/03/183481003.db2.gz PPGYLOJDNLXQMO-LBPRGKRZSA-N 0 0 319.401 4.095 50 0 DIAARN COC(=O)c1c(Nc2cccc(C)c2C)onc1-c1ccccc1 ZINC000046914742 183573077 /nfs/dbraw/zinc/57/30/77/183573077.db2.gz JAQJOASYZVWZPZ-UHFFFAOYSA-N 0 0 322.364 4.489 50 0 DIAARN Cc1oc(-c2ccco2)nc1CN(C)c1ccc(F)c(F)c1 ZINC000159458295 197355258 /nfs/dbraw/zinc/35/52/58/197355258.db2.gz GLJRCMGTIVDABB-UHFFFAOYSA-N 0 0 304.296 4.158 50 0 DIAARN 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Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)c1 ZINC000065030124 184308891 /nfs/dbraw/zinc/30/88/91/184308891.db2.gz HUMMMWRGCBRGPL-UHFFFAOYSA-N 0 0 306.340 4.448 50 0 DIAARN COC(=O)c1cc(Nc2cccc(OC)c2)c2cc(C)ccc2n1 ZINC000065033558 184309017 /nfs/dbraw/zinc/30/90/17/184309017.db2.gz RWNNLWMFBBWSME-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN COC(=O)c1cc(Nc2cccc(F)c2)c2cccc(F)c2n1 ZINC000065033688 184309091 /nfs/dbraw/zinc/30/90/91/184309091.db2.gz MCFOWJRKTOXKMX-UHFFFAOYSA-N 0 0 314.291 4.043 50 0 DIAARN CCc1ccc(Nc2cc(C(=O)OC)nc3ccccc32)cc1 ZINC000065033530 184309101 /nfs/dbraw/zinc/30/91/01/184309101.db2.gz QMSVMTGRBJMWJN-UHFFFAOYSA-N 0 0 306.365 4.327 50 0 DIAARN COC(=O)c1cc(Nc2ccc(F)cc2)c2cc(C)ccc2n1 ZINC000065033557 184309110 /nfs/dbraw/zinc/30/91/10/184309110.db2.gz QFSZKNQPRMDUIV-UHFFFAOYSA-N 0 0 310.328 4.213 50 0 DIAARN COc1cccc(NC(=O)c2ccc(-c3cccc(C)c3)nc2)c1 ZINC000065030020 184309117 /nfs/dbraw/zinc/30/91/17/184309117.db2.gz OJJTWOQKXORTBL-UHFFFAOYSA-N 0 0 318.376 4.318 50 0 DIAARN COCc1nc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cs1 ZINC000065042813 184309151 /nfs/dbraw/zinc/30/91/51/184309151.db2.gz QBYMFWJZLUHBNG-UHFFFAOYSA-N 0 0 319.426 4.115 50 0 DIAARN COc1cc(-c2cccc(C)c2)nc2ccc(NC(C)=O)cc21 ZINC000065034303 184309383 /nfs/dbraw/zinc/30/93/83/184309383.db2.gz NSCFMSVFEFBXNJ-UHFFFAOYSA-N 0 0 306.365 4.177 50 0 DIAARN CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(F)cc3)c2c1 ZINC000065033752 184309411 /nfs/dbraw/zinc/30/94/11/184309411.db2.gz ZGNHETUKZDQIHB-UHFFFAOYSA-N 0 0 324.355 4.467 50 0 DIAARN CCc1ccc(CNC(=O)c2ccnc(-c3cccs3)c2)cc1 ZINC000065063100 184309701 /nfs/dbraw/zinc/30/97/01/184309701.db2.gz OXRLCIFSVIXYIZ-UHFFFAOYSA-N 0 0 322.433 4.303 50 0 DIAARN Cc1ccc(-c2nc(C(=O)NCc3cccs3)cs2)s1 ZINC000065086487 184310368 /nfs/dbraw/zinc/31/03/68/184310368.db2.gz AZBLUNWNDYNVGI-UHFFFAOYSA-N 0 0 320.464 4.172 50 0 DIAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)cc(C)c1 ZINC000065114097 184310767 /nfs/dbraw/zinc/31/07/67/184310767.db2.gz YVTQGAZYYLLPJC-UHFFFAOYSA-N 0 0 321.380 4.085 50 0 DIAARN Cc1ccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1 ZINC000065148874 184311505 /nfs/dbraw/zinc/31/15/05/184311505.db2.gz JXRGNWFDDVGWBR-UHFFFAOYSA-N 0 0 319.408 4.077 50 0 DIAARN CCCn1cc2c3c1cccc3CN(C(=O)CC(C)(C)C)CC2 ZINC000065148636 184311536 /nfs/dbraw/zinc/31/15/36/184311536.db2.gz KHMNXFAKKJUFJF-UHFFFAOYSA-N 0 0 312.457 4.372 50 0 DIAARN C(=Cc1nc(-c2cccc(-c3cc[nH]n3)c2)no1)c1cccs1 ZINC000065137170 184311795 /nfs/dbraw/zinc/31/17/95/184311795.db2.gz HVXOPIMKPZNKEN-VOTSOKGWSA-N 0 0 320.377 4.359 50 0 DIAARN CC(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1 ZINC000065152845 184311842 /nfs/dbraw/zinc/31/18/42/184311842.db2.gz ZAHYCYBWIRLWRQ-UHFFFAOYSA-N 0 0 307.353 4.112 50 0 DIAARN Cc1cccc(-c2ncccc2CNC(=O)CC2CCCC2)c1 ZINC000065171213 184313542 /nfs/dbraw/zinc/31/35/42/184313542.db2.gz WRALQKQOXAQIRX-UHFFFAOYSA-N 0 0 308.425 4.254 50 0 DIAARN CCSc1ccc(-c2cccc(NC(=O)C(C)(C)C)c2)nn1 ZINC000065185922 184314010 /nfs/dbraw/zinc/31/40/10/184314010.db2.gz ICHAOCMJZFJASB-UHFFFAOYSA-N 0 0 315.442 4.240 50 0 DIAARN CCn1ccc2c1cccc2CCC(=O)NCc1cccc(F)c1 ZINC000065210228 184314510 /nfs/dbraw/zinc/31/45/10/184314510.db2.gz FXZWUSMIUPKJCI-UHFFFAOYSA-N 0 0 324.399 4.049 50 0 DIAARN CCn1ccc2c1cccc2CCC(=O)Nc1ccccc1OC ZINC000065210237 184314676 /nfs/dbraw/zinc/31/46/76/184314676.db2.gz OXGBMISEPRRKRT-UHFFFAOYSA-N 0 0 322.408 4.241 50 0 DIAARN CC(C)c1nnc(-c2sccc2NC(=O)c2ccsc2)o1 ZINC000065218730 184315056 /nfs/dbraw/zinc/31/50/56/184315056.db2.gz ZZUPEDMYVAJRLA-UHFFFAOYSA-N 0 0 319.411 4.235 50 0 DIAARN Fc1cccc(-c2noc(-c3ccc(NC4CCCC4)nc3)n2)c1 ZINC000064676865 184302277 /nfs/dbraw/zinc/30/22/77/184302277.db2.gz HEWGQVQRYCXDKD-UHFFFAOYSA-N 0 0 324.359 4.292 50 0 DIAARN CCCn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000064667758 184302337 /nfs/dbraw/zinc/30/23/37/184302337.db2.gz ANUGHUHOVSWXQK-UHFFFAOYSA-N 0 0 304.802 4.188 50 0 DIAARN Cc1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)cs1 ZINC000064677345 184302793 /nfs/dbraw/zinc/30/27/93/184302793.db2.gz TTYHSUYRLVDXGS-UHFFFAOYSA-N 0 0 300.427 4.181 50 0 DIAARN C/C(=C\c1ccccc1)[C@H]1CC(=O)Nc2c1c(C(C)(C)C)nn2C ZINC000065385356 184333055 /nfs/dbraw/zinc/33/30/55/184333055.db2.gz TZUJWJWPFXKRPW-HFBDAHEESA-N 0 0 323.440 4.247 50 0 DIAARN Clc1cccc(-c2nn3c(nnc3-c3ccsc3)s2)c1 ZINC000065356328 184328562 /nfs/dbraw/zinc/32/85/62/184328562.db2.gz BLPNLZLZVNGGSL-UHFFFAOYSA-N 0 0 318.814 4.235 50 0 DIAARN c1csc(-c2ccnc3nc(SCc4ccccc4)nn32)c1 ZINC000065363648 184328745 /nfs/dbraw/zinc/32/87/45/184328745.db2.gz QTLSGTJRTPWEAZ-UHFFFAOYSA-N 0 0 324.434 4.145 50 0 DIAARN FC(F)(F)CCCN1CCO[C@@H](CCCc2ccccc2)C1 ZINC000065370202 184329445 /nfs/dbraw/zinc/32/94/45/184329445.db2.gz KABJRJLBWTZLFC-INIZCTEOSA-N 0 0 315.379 4.053 50 0 DIAARN CO[C@H](C)c1ccc(-c2cc(C(=O)N3CCCCC3)ccn2)cc1 ZINC000065372394 184329720 /nfs/dbraw/zinc/32/97/20/184329720.db2.gz TTZBONHHHZOEDY-OAHLLOKOSA-N 0 0 324.424 4.082 50 0 DIAARN O=c1c2ccc[nH]c-2cn1[C@H](Cc1ccccc1)c1ccccc1 ZINC000065382995 184332530 /nfs/dbraw/zinc/33/25/30/184332530.db2.gz CSEYSPGTSCVZDW-HXUWFJFHSA-N 0 0 314.388 4.021 50 0 DIAARN Cn1ccnc1-c1c(-c2ccccc2)ncn1[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000065382497 184332677 /nfs/dbraw/zinc/33/26/77/184332677.db2.gz YEQGFYHASYQGQR-HYVNUMGLSA-N 0 0 318.424 4.312 50 0 DIAARN OCCCn1cnc(-c2ccccc2)c1-c1ccc2occc2c1 ZINC000065407005 184338797 /nfs/dbraw/zinc/33/87/97/184338797.db2.gz NRRXQVSMDMVKQP-UHFFFAOYSA-N 0 0 318.376 4.346 50 0 DIAARN Cn1c2ccccc2nc1-c1c(-c2ccccc2)ncn1CCF ZINC000065492549 184354138 /nfs/dbraw/zinc/35/41/38/184354138.db2.gz JWPFXXAWCSSIPD-UHFFFAOYSA-N 0 0 320.371 4.073 50 0 DIAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)(C)C ZINC000065403096 184337464 /nfs/dbraw/zinc/33/74/64/184337464.db2.gz LLDDKGXTKFRYIT-UHFFFAOYSA-N 0 0 314.863 4.362 50 0 DIAARN c1nc(-c2ccccc2)c(C2CC2)n1CCCc1cccnc1 ZINC000065406309 184338524 /nfs/dbraw/zinc/33/85/24/184338524.db2.gz LMOYTUZVJOJGJG-UHFFFAOYSA-N 0 0 303.409 4.455 50 0 DIAARN Cc1cc(NC(=O)[C@H](C)Sc2c(C)c(C)cc(C)c2C)on1 ZINC000065548424 184364230 /nfs/dbraw/zinc/36/42/30/184364230.db2.gz SFRSUWRHNSBTDW-AWEZNQCLSA-N 0 0 318.442 4.336 50 0 DIAARN Cc1nc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cs1 ZINC000065549170 184364318 /nfs/dbraw/zinc/36/43/18/184364318.db2.gz CZMIBFAKQPKIOF-UHFFFAOYSA-N 0 0 315.442 4.448 50 0 DIAARN Cc1ccoc1-c1nnc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000065591451 184369998 /nfs/dbraw/zinc/36/99/98/184369998.db2.gz PHBWJQGJLAZPLE-GFCCVEGCSA-N 0 0 315.398 4.037 50 0 DIAARN CCN(C(=O)c1ccc(NCc2sccc2C)cc1)C1CC1 ZINC000065500201 184355577 /nfs/dbraw/zinc/35/55/77/184355577.db2.gz QDLGVPXQURYIRW-UHFFFAOYSA-N 0 0 314.454 4.293 50 0 DIAARN CCc1cccc(C)c1NC(=O)Cn1cc(-c2ccccc2)cn1 ZINC000067711824 184481239 /nfs/dbraw/zinc/48/12/39/184481239.db2.gz FOZTZFIYXYTUHP-UHFFFAOYSA-N 0 0 319.408 4.060 50 0 DIAARN CC(C)(C)c1cn2nc(N[C@H]3CCc4ccccc43)sc2n1 ZINC000069351688 184508738 /nfs/dbraw/zinc/50/87/38/184508738.db2.gz AJWDEFZYHUYVLH-ZDUSSCGKSA-N 0 0 312.442 4.188 50 0 DIAARN Cc1ccc(-c2cncc(C(=O)Nc3ccccc3F)c2)cc1 ZINC000158355676 197265219 /nfs/dbraw/zinc/26/52/19/197265219.db2.gz SEHWVPAFCXHMGZ-UHFFFAOYSA-N 0 0 306.340 4.448 50 0 DIAARN O=C(c1cncc(-c2ccccc2)c1)N1CCCc2ccccc21 ZINC000158242761 197256484 /nfs/dbraw/zinc/25/64/84/197256484.db2.gz CKFWPTRHAUZZNL-UHFFFAOYSA-N 0 0 314.388 4.342 50 0 DIAARN O=C([O-])CCC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000157064538 197159441 /nfs/dbraw/zinc/15/94/41/197159441.db2.gz OHNLYZDDBGPJOX-CQSZACIVSA-N 0 0 315.335 4.097 50 0 DIAARN CC(C)C[C@H]1CCCCCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000154985993 197010887 /nfs/dbraw/zinc/01/08/87/197010887.db2.gz SJYOXSNWHANXAV-MRXNPFEDSA-N 0 0 305.466 4.069 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2F)o1 ZINC000120525690 195183983 /nfs/dbraw/zinc/18/39/83/195183983.db2.gz IIJUKCXCQQZARI-NHYWBVRUSA-N 0 0 317.364 4.127 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccncc2F)o1 ZINC000120525367 195184125 /nfs/dbraw/zinc/18/41/25/195184125.db2.gz IIJUKCXCQQZARI-ABAIWWIYSA-N 0 0 317.364 4.127 50 0 DIAARN Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccccc2)c(C)s1 ZINC000028356200 256531364 /nfs/dbraw/zinc/53/13/64/256531364.db2.gz IZTFLFJPXOQRNR-OLZOCXBDSA-N 0 0 302.443 4.486 50 0 DIAARN O=[S@](Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000058158369 256538266 /nfs/dbraw/zinc/53/82/66/256538266.db2.gz BSPHHHBQEMIJLK-OAQYLSRUSA-N 0 0 316.319 4.293 50 0 DIAARN CCc1nc2cc(-c3noc(Cc4cccc(F)c4)n3)ccc2o1 ZINC000065149756 256542276 /nfs/dbraw/zinc/54/22/76/256542276.db2.gz JJKKWDHZUMNYDU-UHFFFAOYSA-N 0 0 323.327 4.170 50 0 DIAARN CCc1cc2c(ncnc2N2[C@H](C)C[C@H]3CCCC[C@H]32)s1 ZINC000241465966 256602426 /nfs/dbraw/zinc/60/24/26/256602426.db2.gz NTNPFHBRBFDTDO-LALPHHSUSA-N 0 0 301.459 4.411 50 0 DIAARN COc1ccc2c(c1)SC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000252626920 256614119 /nfs/dbraw/zinc/61/41/19/256614119.db2.gz RIICMZORHHQOBQ-SCFUHWHPSA-N 0 0 302.439 4.280 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 ZINC000253499791 256616638 /nfs/dbraw/zinc/61/66/38/256616638.db2.gz NJVFRSJSXBLKOW-QGVNFLHTSA-N 0 0 314.469 4.245 50 0 biogenic DIAARN O=c1c2ccccc2[nH]c(=S)n1-c1ccc(C(F)(F)F)cc1 ZINC000000191857 257234304 /nfs/dbraw/zinc/23/43/04/257234304.db2.gz VSQBUVFFLIGXDE-UHFFFAOYSA-N 0 0 322.311 4.067 50 0 DIAARN Brc1cc2c(cc1C1SCCCS1)OCO2 ZINC000000400529 257234388 /nfs/dbraw/zinc/23/43/88/257234388.db2.gz ADJWQNNVELNXKP-UHFFFAOYSA-N 0 0 319.245 4.047 50 0 DIAARN Cc1c2ccccc2oc1C(=O)NCCCOc1cccc(C)c1 ZINC000016278565 257211276 /nfs/dbraw/zinc/21/12/76/257211276.db2.gz DGNUBUUFPSNXGN-UHFFFAOYSA-N 0 0 323.392 4.249 50 0 DIAARN CN(C(=O)/C=C\c1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000096988795 257212137 /nfs/dbraw/zinc/21/21/37/257212137.db2.gz YOWBKXHTZJHAAS-LVWOJMJRSA-N 0 0 311.812 4.499 50 0 DIAARN Cc1nc(CNc2ccccc2O[C@H](C)c2ccccc2)no1 ZINC000095409881 257271966 /nfs/dbraw/zinc/27/19/66/257271966.db2.gz WHXYTQJVOIVTKT-CYBMUJFWSA-N 0 0 309.369 4.130 50 0 DIAARN CC[C@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1nccs1 ZINC000095409955 257272026 /nfs/dbraw/zinc/27/20/26/257272026.db2.gz FNYXSIMXHPBKSB-YPMHNXCESA-N 0 0 319.430 4.122 50 0 DIAARN Cc1nnc([C@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000274159169 257237931 /nfs/dbraw/zinc/23/79/31/257237931.db2.gz GIJVQTIUHWMHLZ-NEPJUHHUSA-N 0 0 301.459 4.137 50 0 DIAARN Cc1cc(OC(F)F)ccc1NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000426689808 257244314 /nfs/dbraw/zinc/24/43/14/257244314.db2.gz CMUCUBDWEIBKLL-BETUJISGSA-N 0 0 322.355 4.026 50 0 DIAARN O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426544391 257246740 /nfs/dbraw/zinc/24/67/40/257246740.db2.gz NLEQVJKHDUZHLR-SFHVURJKSA-N 0 0 321.376 4.009 50 0 DIAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426544390 257247189 /nfs/dbraw/zinc/24/71/89/257247189.db2.gz NLEQVJKHDUZHLR-GOSISDBHSA-N 0 0 321.376 4.009 50 0 DIAARN CO[C@@H](C)c1cccc(-c2ccc(C(=O)N3CCCCC3)o2)c1 ZINC000426490375 257248508 /nfs/dbraw/zinc/24/85/08/257248508.db2.gz BRWQLCDJXBREKP-AWEZNQCLSA-N 0 0 313.397 4.280 50 0 DIAARN CCCCOc1ccc(C)cc1-c1ccc(-c2nccn2C)nn1 ZINC000426420474 257250964 /nfs/dbraw/zinc/25/09/64/257250964.db2.gz VPMBCMHWWDZSOJ-UHFFFAOYSA-N 0 0 322.412 4.031 50 0 DIAARN C[C@H](O)c1cccc(-c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000426368363 257253522 /nfs/dbraw/zinc/25/35/22/257253522.db2.gz WWJXNEKWHVWKCA-INIZCTEOSA-N 0 0 323.436 4.423 50 0 DIAARN c1cncc(CSc2nnc(CCC3CCCCC3)o2)c1 ZINC000066257313 257253756 /nfs/dbraw/zinc/25/37/56/257253756.db2.gz UZFLHWYBDUAREF-UHFFFAOYSA-N 0 0 303.431 4.270 50 0 DIAARN Cc1cc(C)c(NC(=O)N2CCC[C@H]2Cc2ccccc2)c(C)n1 ZINC000408518888 257255527 /nfs/dbraw/zinc/25/55/27/257255527.db2.gz HZWQNPOKKIBWIB-SFHVURJKSA-N 0 0 323.440 4.246 50 0 DIAARN O=C(c1cc(Cl)cs1)N(CC(F)(F)F)c1ccccn1 ZINC000408514636 257255877 /nfs/dbraw/zinc/25/58/77/257255877.db2.gz HFZJKBWACZTEKF-UHFFFAOYSA-N 0 0 320.723 4.006 50 0 DIAARN CCN(C(=O)c1ccccc1CCC(F)(F)F)c1cccnc1 ZINC000408513700 257256069 /nfs/dbraw/zinc/25/60/69/257256069.db2.gz UAOLOMLKBPGKMV-UHFFFAOYSA-N 0 0 322.330 4.243 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 ZINC000250859170 257259032 /nfs/dbraw/zinc/25/90/32/257259032.db2.gz SPPQPIJYSMWOGE-LTGKAUERSA-N 0 0 316.485 4.469 50 0 biogenic DIAARN Cc1nc(S[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C(C)C)oc1C ZINC000240278362 257259736 /nfs/dbraw/zinc/25/97/36/257259736.db2.gz DQRDZYSCMZZZDQ-UGFHNGPFSA-N 0 0 324.490 4.103 50 0 DIAARN O=C(Cc1ccc(F)cc1F)Nc1ccc(Cl)cc1Cl ZINC000000136080 257266488 /nfs/dbraw/zinc/26/64/88/257266488.db2.gz YWXRGMCTPWVMIZ-UHFFFAOYSA-N 0 0 316.134 4.453 50 0 DIAARN COC(=O)c1ccc(OC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000004771242 257267642 /nfs/dbraw/zinc/26/76/42/257267642.db2.gz UEIVWVVWIJGWCI-UHFFFAOYSA-N 0 0 319.744 4.046 50 0 DIAARN C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000028907882 257269547 /nfs/dbraw/zinc/26/95/47/257269547.db2.gz HTFSHNXJTVXDLV-SECBINFHSA-N 0 0 310.731 4.057 50 0 DIAARN CSc1nnc(CN[C@@H](c2ccccc2)C2CCCC2)s1 ZINC000069622541 184826547 /nfs/dbraw/zinc/82/65/47/184826547.db2.gz YLEHGSMKEWWFEF-HNNXBMFYSA-N 0 0 319.499 4.281 50 0 DIAARN C[C@@H]1C[C@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 ZINC000071890747 184890517 /nfs/dbraw/zinc/89/05/17/184890517.db2.gz QOLXEOIKOMEGHY-BXKDBHETSA-N 0 0 310.357 4.054 50 0 DIAARN C[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000121586527 195311256 /nfs/dbraw/zinc/31/12/56/195311256.db2.gz RKMROKCMLPANOC-CQSZACIVSA-N 0 0 322.433 4.230 50 0 DIAARN CO[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000121743893 195339474 /nfs/dbraw/zinc/33/94/74/195339474.db2.gz WYIQHXUGXZNJQK-HNNXBMFYSA-N 0 0 324.207 4.111 50 0 DIAARN CCc1cccnc1NC(=O)c1scnc1C1CCCC1 ZINC000273614625 130144805 /nfs/dbraw/zinc/14/48/05/130144805.db2.gz PLENRERIZHAUQU-UHFFFAOYSA-N 0 0 301.415 4.010 50 0 DIAARN CC(C)[C@@H]1C[C@@H](Cc2nc(Cc3ccon3)no2)c2ccccc21 ZINC000288974089 131349176 /nfs/dbraw/zinc/34/91/76/131349176.db2.gz HYLVJVNJQISVSN-GUYCJALGSA-N 0 0 323.396 4.118 50 0 DIAARN Cc1cccc(C2(NC(=O)c3ocnc3C3CC3)CCCC2)c1 ZINC000289310980 131372193 /nfs/dbraw/zinc/37/21/93/131372193.db2.gz AMMQKMQZKUQVSR-UHFFFAOYSA-N 0 0 310.397 4.060 50 0 DIAARN COc1ccc(-c2nnc(N3CCCCC3)c3ccccc32)cc1 ZINC000000085872 134427659 /nfs/dbraw/zinc/42/76/59/134427659.db2.gz UHKNSIYURJUFJR-UHFFFAOYSA-N 0 0 319.408 4.296 50 0 DIAARN Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C)cc23)c1 ZINC000006819143 134478862 /nfs/dbraw/zinc/47/88/62/134478862.db2.gz ACYHAPBJCBSEQL-LPHOPBHVSA-N 0 0 308.381 4.073 50 0 DIAARN Cc1cccc(NC(=O)N2CCOc3ccc(Cl)cc32)c1C ZINC000006842941 134479496 /nfs/dbraw/zinc/47/94/96/134479496.db2.gz QSJCCGXPCUEZQB-UHFFFAOYSA-N 0 0 316.788 4.388 50 0 DIAARN Fc1ccc(-c2cc3ncnc(N4CCCCC4)c3s2)cc1 ZINC000007987103 134485845 /nfs/dbraw/zinc/48/58/45/134485845.db2.gz LPOFTCQEEATICW-UHFFFAOYSA-N 0 0 313.401 4.488 50 0 DIAARN Cc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1 ZINC000016442528 134528016 /nfs/dbraw/zinc/52/80/16/134528016.db2.gz QTHYADWBDAMUQQ-UHFFFAOYSA-N 0 0 305.377 4.054 50 0 DIAARN Cc1ccc(N2CNc3c(sc4nc(C)cc(C)c43)C2=O)cc1 ZINC000021169237 134651456 /nfs/dbraw/zinc/65/14/56/134651456.db2.gz JRLKBNCJDCAWRJ-UHFFFAOYSA-N 0 0 323.421 4.251 50 0 DIAARN Cc1cc(F)cc2c1N(C(=O)c1ccc3ccccc3n1)CCC2 ZINC000066786184 134831405 /nfs/dbraw/zinc/83/14/05/134831405.db2.gz CYLRRZPMCSODDL-UHFFFAOYSA-N 0 0 320.367 4.275 50 0 DIAARN CC(=O)N(C)c1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000129114234 196021087 /nfs/dbraw/zinc/02/10/87/196021087.db2.gz IBNRFAZVNYYDCW-CHWSQXEVSA-N 0 0 314.351 4.202 50 0 DIAARN CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 ZINC000071405990 262542805 /nfs/dbraw/zinc/54/28/05/262542805.db2.gz YFVLMDMKIYVMJP-UHFFFAOYSA-N 0 0 319.213 4.110 50 0 DIAARN CC(=O)N(C)Cc1cccc(NCc2cccc(Cl)c2F)c1 ZINC000133266029 196326483 /nfs/dbraw/zinc/32/64/83/196326483.db2.gz ZUZCGUOWJOFYLP-UHFFFAOYSA-N 0 0 320.795 4.070 50 0 DIAARN O=C(NCCc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000013698226 262508320 /nfs/dbraw/zinc/50/83/20/262508320.db2.gz NTGKWNDYJGUEIO-UHFFFAOYSA-N 0 0 300.210 4.027 50 0 DIAARN CCOC(=O)c1ccc2[nH]c(C)c(C/C=C(\C)Cl)c(=O)c2c1 ZINC000000081147 262527903 /nfs/dbraw/zinc/52/79/03/262527903.db2.gz AMBUUNLKSLJLMQ-BJMVGYQFSA-N 0 0 319.788 4.111 50 0 DIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C(F)(F)F ZINC000000081347 262528040 /nfs/dbraw/zinc/52/80/40/262528040.db2.gz YSPSEORQLFGKCQ-UHFFFAOYSA-N 0 0 322.311 4.464 50 0 DIAARN CC(C)c1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 ZINC000000464787 262529841 /nfs/dbraw/zinc/52/98/41/262529841.db2.gz FRVDJRUBOGHOHS-UHFFFAOYSA-N 0 0 308.333 4.136 50 0 DIAARN Cc1cc(-c2nc(CCc3ccccc3)no2)c2ccccc2n1 ZINC000032587250 262540126 /nfs/dbraw/zinc/54/01/26/262540126.db2.gz UDQNAQSSYKIFPE-UHFFFAOYSA-N 0 0 315.376 4.378 50 0 DIAARN O=C(Nc1cnn(-c2ccccc2)c1)N1CCC2(C1)CCCCC2 ZINC000173558967 332832860 /nfs/dbraw/zinc/83/28/60/332832860.db2.gz OGJMZNFLPBBKKU-UHFFFAOYSA-N 0 0 324.428 4.060 50 0 DIAARN C[C@@H]1CCC[C@H](C)N1C(=O)Nc1cccc(Br)c1 ZINC000000398260 331462043 /nfs/dbraw/zinc/46/20/43/331462043.db2.gz DRKSPKYNWIZUDL-PHIMTYICSA-N 0 0 311.223 4.244 50 0 DIAARN Cc1cc(Cl)ccc1OCC(=O)NC1CCCCCCC1 ZINC000000476840 331463322 /nfs/dbraw/zinc/46/33/22/331463322.db2.gz CWADQANYQMQCSG-UHFFFAOYSA-N 0 0 309.837 4.256 50 0 DIAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OC(F)F ZINC000003362695 331479810 /nfs/dbraw/zinc/47/98/10/331479810.db2.gz HPVAXLFXGQDDKM-HNNXBMFYSA-N 0 0 317.335 4.095 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1 ZINC000003387716 331480032 /nfs/dbraw/zinc/48/00/32/331480032.db2.gz SHHKAZBWJDZSTA-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN C[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000003413656 331480567 /nfs/dbraw/zinc/48/05/67/331480567.db2.gz OCZAMYHAZJULFG-LBPRGKRZSA-N 0 0 305.324 4.420 50 0 DIAARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccccc2Cl)c1 ZINC000004620786 331486733 /nfs/dbraw/zinc/48/67/33/331486733.db2.gz NDYRTHVONQFJAS-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN O=C(N[C@H]1CCSc2ccccc21)c1cc2ccccc2o1 ZINC000005425852 331491203 /nfs/dbraw/zinc/49/12/03/331491203.db2.gz BGHWHLPABISELT-AWEZNQCLSA-N 0 0 309.390 4.400 50 0 DIAARN O=C(NCc1ccccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000006322913 331495399 /nfs/dbraw/zinc/49/53/99/331495399.db2.gz NRTJFAVNSBAIAW-UHFFFAOYSA-N 0 0 313.159 4.454 50 0 DIAARN COc1ccc(-c2csc(-c3c(C)nc4ccccn43)n2)cc1 ZINC000006566810 331497097 /nfs/dbraw/zinc/49/70/97/331497097.db2.gz PDQGTYDGSWSIHZ-UHFFFAOYSA-N 0 0 321.405 4.442 50 0 DIAARN COc1ccc([C@H]2CCN(C(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000038566782 331505071 /nfs/dbraw/zinc/50/50/71/331505071.db2.gz IYOQVSBHUOEHKB-KRWDZBQOSA-N 0 0 324.424 4.333 50 0 DIAARN C/C(=C\c1cccc(/C=C(\C)c2cnccn2)c1)c1cnccn1 ZINC000180381194 331567476 /nfs/dbraw/zinc/56/74/76/331567476.db2.gz MDUVYDHIGKUWRH-RWPWKDLBSA-N 0 0 314.392 4.388 50 0 DIAARN Cc1nc(C(=O)Nc2ccccc2F)cc2c3ccccc3[nH]c21 ZINC000018190351 331578073 /nfs/dbraw/zinc/57/80/73/331578073.db2.gz IFPLASXYGCJYMJ-UHFFFAOYSA-N 0 0 319.339 4.416 50 0 DIAARN CC[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000033232310 331640687 /nfs/dbraw/zinc/64/06/87/331640687.db2.gz DTYXJHQAHDLIPA-OAHLLOKOSA-N 0 0 320.392 4.265 50 0 DIAARN COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000038566769 331676260 /nfs/dbraw/zinc/67/62/60/331676260.db2.gz YNMJJYSEIZFKGO-MRXNPFEDSA-N 0 0 310.397 4.025 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 ZINC000042116027 331690406 /nfs/dbraw/zinc/69/04/06/331690406.db2.gz WWJIOBXTZDJLLC-ZDUSSCGKSA-N 0 0 305.765 4.005 50 0 DIAARN C[C@@H](c1cccc(O)c1)N(C)Cc1csc(-c2ccoc2)n1 ZINC000109783076 332283959 /nfs/dbraw/zinc/28/39/59/332283959.db2.gz ATSUHOALPDICNH-LBPRGKRZSA-N 0 0 314.410 4.302 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1 ZINC000006567082 332998440 /nfs/dbraw/zinc/99/84/40/332998440.db2.gz XQJYNKHIFPEFQZ-UHFFFAOYSA-N 0 0 318.380 4.006 50 0 DIAARN CC(C)c1csc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 ZINC000041527010 333352610 /nfs/dbraw/zinc/35/26/10/333352610.db2.gz UOVKEIBEAJQCLC-UHFFFAOYSA-N 0 0 304.390 4.076 50 0 DIAARN C[C@H](c1ccc(-c2cccc(F)c2C(=O)[O-])cc1)[NH+]1CCCC1 ZINC000534643810 334306092 /nfs/dbraw/zinc/30/60/92/334306092.db2.gz CRRFSNNCVXTEHA-CYBMUJFWSA-N 0 0 313.372 4.348 50 0 DIAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000534638609 334310217 /nfs/dbraw/zinc/31/02/17/334310217.db2.gz VHAAXIUSVVXYJO-INIZCTEOSA-N 0 0 320.795 4.391 50 0 DIAARN O=c1[nH]ccc2cc(-c3cc(OC(F)(F)F)ccc3O)ccc12 ZINC000534649183 334316738 /nfs/dbraw/zinc/31/67/38/334316738.db2.gz RTDWATKKVWFDKE-UHFFFAOYSA-N 0 0 321.254 4.212 50 0 DIAARN C[C@H](C1CCCCC1)N(C)C(=O)c1cc(COC(C)(C)C)on1 ZINC000330398942 334777913 /nfs/dbraw/zinc/77/79/13/334777913.db2.gz RANCEWUCHYGWPG-CYBMUJFWSA-N 0 0 322.449 4.031 50 0 DIAARN Cc1c2cccc(C)c2oc1C(=O)NC(C)(C)c1ccc(C)nc1 ZINC000332398664 336170782 /nfs/dbraw/zinc/17/07/82/336170782.db2.gz ZFAPLXQLBJWDKE-UHFFFAOYSA-N 0 0 322.408 4.418 50 0 DIAARN O=C1CCCCCCCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000000402231 336220215 /nfs/dbraw/zinc/22/02/15/336220215.db2.gz OZGAIOPEJVJLQE-GOSISDBHSA-N 0 0 322.470 4.313 50 0 DIAARN Cc1c2cccc(C)c2oc1C(=O)Nc1ccnn1C(C)(C)C ZINC000107122926 336390664 /nfs/dbraw/zinc/39/06/64/336390664.db2.gz VNOXJIDNCGYXER-UHFFFAOYSA-N 0 0 311.385 4.253 50 0 DIAARN Cc1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)cc1 ZINC000376729282 337040046 /nfs/dbraw/zinc/04/00/46/337040046.db2.gz PBGUBYMQPYXZLU-UHFFFAOYSA-N 0 0 321.424 4.078 50 0 DIAARN COc1ccc(OC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000021598941 337335150 /nfs/dbraw/zinc/33/51/50/337335150.db2.gz IFINGWGLZYGEHH-UHFFFAOYSA-N 0 0 317.391 4.099 50 0 DIAARN C[C@H](CCOc1ccccc1)c1nc([C@H]2Cc3ccccc32)no1 ZINC000547005226 341191247 /nfs/dbraw/zinc/19/12/47/341191247.db2.gz ZUAXJXUVVYJASF-KDOFPFPSSA-N 0 0 320.392 4.330 50 0 DIAARN CC[C@H](C)c1ccccc1OC[C@@H](O)CSc1ccccn1 ZINC000016839867 522049255 /nfs/dbraw/zinc/04/92/55/522049255.db2.gz CYLFCYUGWXBBNM-LSDHHAIUSA-N 0 0 317.454 4.127 50 0 DIAARN Cc1cc([C@H](C)NC(=O)C[C@@H](C)c2c(C)noc2C)c(C)s1 ZINC000129798204 525503672 /nfs/dbraw/zinc/50/36/72/525503672.db2.gz WIZGPNQQCFPSAX-KOLCDFICSA-N 0 0 320.458 4.341 50 0 DIAARN Cc1nnc(SCc2cncc(F)c2)n1[C@H]1CCC[C@H](C)C1 ZINC000330031552 534870688 /nfs/dbraw/zinc/87/06/88/534870688.db2.gz ADTMGPGLWBRDHC-NHYWBVRUSA-N 0 0 320.437 4.164 50 0 DIAARN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2CCCC(F)(F)C2)n1 ZINC000328586284 526740472 /nfs/dbraw/zinc/74/04/72/526740472.db2.gz OZRREXUFGCAITM-WOPDTQHZSA-N 0 0 314.376 4.281 50 0 DIAARN CC(C)c1nnc(CN[C@H]2CC(C)(C)CCc3ccccc32)o1 ZINC000328596175 528444614 /nfs/dbraw/zinc/44/46/14/528444614.db2.gz VXWIDJKZOYBBJF-INIZCTEOSA-N 0 0 313.445 4.386 50 0 DIAARN CCCOc1ccc(-c2nc(C(=O)NCC)cs2)c(Cl)c1 ZINC000037613992 563599094 /nfs/dbraw/zinc/59/90/94/563599094.db2.gz CCCAUCKPSHYGPY-UHFFFAOYSA-N 0 0 324.833 4.002 50 0 DIAARN CC(C)[C@@H](C)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000078909026 563617864 /nfs/dbraw/zinc/61/78/64/563617864.db2.gz GHHCFQOMVAIPOD-MNOVXSKESA-N 0 0 308.365 4.226 50 0 DIAARN CCCOC(=O)c1cc(CC)sc1NC(=O)c1cccs1 ZINC000005431097 563621310 /nfs/dbraw/zinc/62/13/10/563621310.db2.gz RGHDIYVRVKOTJS-UHFFFAOYSA-N 0 0 323.439 4.191 50 0 DIAARN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(F)cc1 ZINC000000461362 563630924 /nfs/dbraw/zinc/63/09/24/563630924.db2.gz ULVDRFCAEHOXTJ-UHFFFAOYSA-N 0 0 307.390 4.058 50 0 DIAARN O=C(Nc1nc2ccc(Cl)cc2s1)NC1CCCCC1 ZINC000008274547 563642520 /nfs/dbraw/zinc/64/25/20/563642520.db2.gz JNWNZBLSMJABEF-UHFFFAOYSA-N 0 0 309.822 4.404 50 0 DIAARN Cc1cc(C)cc(N2COc3ccc(Br)cc3C2)c1 ZINC000000529320 563665382 /nfs/dbraw/zinc/66/53/82/563665382.db2.gz MDVLCMDGUVGCRP-UHFFFAOYSA-N 0 0 318.214 4.422 50 0 DIAARN CC(C)[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ncc[nH]1 ZINC000225814663 563764124 /nfs/dbraw/zinc/76/41/24/563764124.db2.gz OPKABPUQCUVCAG-SNVBAGLBSA-N 0 0 318.730 4.286 50 0 DIAARN CCn1c(SC)nnc1-c1sc(-c2ccccc2)nc1C ZINC000001391450 563816956 /nfs/dbraw/zinc/81/69/56/563816956.db2.gz VYQTTYDOHANKAN-UHFFFAOYSA-N 0 0 316.455 4.119 50 0 DIAARN O=C(OCc1ccccc1Cl)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012818355 563837111 /nfs/dbraw/zinc/83/71/11/563837111.db2.gz ZUFWEJSRCYKEIG-OAHLLOKOSA-N 0 0 323.175 4.040 50 0 DIAARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1Cl ZINC000012828629 563843688 /nfs/dbraw/zinc/84/36/88/563843688.db2.gz XZFOEAWXRDLPRC-UHFFFAOYSA-N 0 0 324.808 4.457 50 0 DIAARN O=C(CCSCc1cccc(F)c1)Nc1cccc(F)c1 ZINC000013021553 563876505 /nfs/dbraw/zinc/87/65/05/563876505.db2.gz XVHXRPKHQRSDDS-UHFFFAOYSA-N 0 0 307.365 4.227 50 0 DIAARN c1nc(COc2ccccc2NC2CCSCC2)cs1 ZINC000092161251 563881909 /nfs/dbraw/zinc/88/19/09/563881909.db2.gz QZAMBCYKDQVQCM-UHFFFAOYSA-N 0 0 306.456 4.030 50 0 DIAARN C[C@@H]1CC[C@@H](OC(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000095996102 563934320 /nfs/dbraw/zinc/93/43/20/563934320.db2.gz HNMWTAZAOQGHOW-ZWNOBZJWSA-N 0 0 305.374 4.295 50 0 DIAARN CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](CSC)C2)c1 ZINC000096418014 563937044 /nfs/dbraw/zinc/93/70/44/563937044.db2.gz HDMZHXMDMZJHTA-KBPBESRZSA-N 0 0 322.474 4.081 50 0 DIAARN FC(F)(F)c1cc(Cl)ccc1OCc1nnc(C2CC2)o1 ZINC000096499901 563937406 /nfs/dbraw/zinc/93/74/06/563937406.db2.gz VSLOYALYOFHPES-UHFFFAOYSA-N 0 0 318.682 4.198 50 0 DIAARN COc1cccc(CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000002618080 563939491 /nfs/dbraw/zinc/93/94/91/563939491.db2.gz IFOLUUWKHLQEHI-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN C[C@H](Sc1ccc(F)cc1F)c1nc(-c2ccco2)no1 ZINC000029740041 563941478 /nfs/dbraw/zinc/94/14/78/563941478.db2.gz CUMGICXSPCNKOI-QMMMGPOBSA-N 0 0 308.309 4.461 50 0 DIAARN O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)s1 ZINC000010221454 563958415 /nfs/dbraw/zinc/95/84/15/563958415.db2.gz RPNMHTKPCXOBOE-UHFFFAOYSA-N 0 0 305.830 4.253 50 0 DIAARN CC(=O)c1sc(-c2ccccc2)cc1NC(=O)C(F)(F)F ZINC000000081856 563214503 /nfs/dbraw/zinc/21/45/03/563214503.db2.gz FHEZRORXGJFAIV-UHFFFAOYSA-N 0 0 313.300 4.119 50 0 DIAARN Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C(C)(C)C)n1 ZINC000000165174 563226455 /nfs/dbraw/zinc/22/64/55/563226455.db2.gz FUQZBAHGAZTFFD-UHFFFAOYSA-N 0 0 306.797 4.244 50 0 DIAARN O=C(/C=C/c1ccc(Br)cc1)NC1CCCCCC1 ZINC000000375636 563247069 /nfs/dbraw/zinc/24/70/69/563247069.db2.gz KZGFTHLEXQOXDA-FMIVXFBMSA-N 0 0 322.246 4.301 50 0 DIAARN Cc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000000332938 563241335 /nfs/dbraw/zinc/24/13/35/563241335.db2.gz YPILMSMFVUIXRQ-UHFFFAOYSA-N 0 0 306.148 4.102 50 0 DIAARN CC[C@]1(c2csc(Nc3ccccc3C)n2)CCC(=O)O1 ZINC000000345974 563242452 /nfs/dbraw/zinc/24/24/52/563242452.db2.gz VZQYOGBMAINOEG-MRXNPFEDSA-N 0 0 302.399 4.137 50 0 DIAARN 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Clc1cc2c(cc1CSc1nc3ccccc3[nH]1)OCO2 ZINC000000182759 563228492 /nfs/dbraw/zinc/22/84/92/563228492.db2.gz LHOOGFSHPOQYRS-UHFFFAOYSA-N 0 0 318.785 4.237 50 0 DIAARN COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(N(C)C)cc1 ZINC000000186168 563229120 /nfs/dbraw/zinc/22/91/20/563229120.db2.gz HPMUSXUCGRJWBE-UHFFFAOYSA-N 0 0 322.408 4.216 50 0 DIAARN Cc1ccc2nc(Nc3ccc4c(c3)OCCO4)cc(C)c2c1 ZINC000000186316 563229154 /nfs/dbraw/zinc/22/91/54/563229154.db2.gz NGAOTGSJFXEDGA-UHFFFAOYSA-N 0 0 306.365 4.366 50 0 DIAARN Cc1ccc2c(Cl)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)sc2c1 ZINC000000185996 563229166 /nfs/dbraw/zinc/22/91/66/563229166.db2.gz UZBQEWCSZKDTAC-GHMZBOCLSA-N 0 0 323.845 4.113 50 0 DIAARN Cc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1 ZINC000000206214 563230066 /nfs/dbraw/zinc/23/00/66/563230066.db2.gz OOJIMTFLNVFUBD-UHFFFAOYSA-N 0 0 322.433 4.297 50 0 DIAARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000000208392 563230112 /nfs/dbraw/zinc/23/01/12/563230112.db2.gz ICEBPVYZLBWHKE-HXUWFJFHSA-N 0 0 314.388 4.453 50 0 DIAARN O=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1cccnc1 ZINC000000205581 563230332 /nfs/dbraw/zinc/23/03/32/563230332.db2.gz PRZAHXMFXWAYGM-INIZCTEOSA-N 0 0 315.804 4.494 50 0 biogenic DIAARN COc1ccccc1NC(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000000205624 563230505 /nfs/dbraw/zinc/23/05/05/563230505.db2.gz WRNFCWYETUYKGZ-GFCCVEGCSA-N 0 0 314.360 4.208 50 0 DIAARN Cc1cccc(NC(=O)NC(=O)c2ccc3ccccc3c2)c1 ZINC000000209077 563230733 /nfs/dbraw/zinc/23/07/33/563230733.db2.gz NVIZYMXTVIRYFA-UHFFFAOYSA-N 0 0 304.349 4.110 50 0 DIAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000000211871 563230948 /nfs/dbraw/zinc/23/09/48/563230948.db2.gz QCRPKOHYKUUKLF-UHFFFAOYSA-N 0 0 324.424 4.326 50 0 DIAARN CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000000218091 563231445 /nfs/dbraw/zinc/23/14/45/563231445.db2.gz JVFRXJMJJBGRRB-UHFFFAOYSA-N 0 0 305.830 4.382 50 0 DIAARN COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000000235742 563232039 /nfs/dbraw/zinc/23/20/39/563232039.db2.gz ADFWAOZRJUYQNB-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3o2)c1 ZINC000000242077 563232647 /nfs/dbraw/zinc/23/26/47/563232647.db2.gz MVZGQAKDBSWVGZ-UHFFFAOYSA-N 0 0 312.394 4.175 50 0 DIAARN CCc1ccccc1NC(=O)c1ccccc1Br ZINC000000240152 563232661 /nfs/dbraw/zinc/23/26/61/563232661.db2.gz ZKDYZGYSUGVKNR-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN CSc1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000000242100 563232753 /nfs/dbraw/zinc/23/27/53/563232753.db2.gz JQNXJDUQDSHTLR-UHFFFAOYSA-N 0 0 308.450 4.448 50 0 DIAARN O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000000240986 563232844 /nfs/dbraw/zinc/23/28/44/563232844.db2.gz QGTZDOXHDQBPKT-UHFFFAOYSA-N 0 0 316.356 4.393 50 0 DIAARN COc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000000245712 563233605 /nfs/dbraw/zinc/23/36/05/563233605.db2.gz DKSNSMZPYHVYKD-UHFFFAOYSA-N 0 0 303.361 4.199 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000000253048 563233932 /nfs/dbraw/zinc/23/39/32/563233932.db2.gz XYLPRYCZUUZNSX-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN Cc1sc(NC(=O)c2cccnc2)nc1-c1cc(C)ccc1C ZINC000000260391 563234105 /nfs/dbraw/zinc/23/41/05/563234105.db2.gz WILYRZJXJWFTPK-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000000260707 563234153 /nfs/dbraw/zinc/23/41/53/563234153.db2.gz CGUNDMXTDHRITR-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000000271583 563235099 /nfs/dbraw/zinc/23/50/99/563235099.db2.gz REEBOOBKPCZVRH-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000276237 563235293 /nfs/dbraw/zinc/23/52/93/563235293.db2.gz UHQAOZKHUQIJKC-UHFFFAOYSA-N 0 0 310.275 4.358 50 0 DIAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000000273806 563235315 /nfs/dbraw/zinc/23/53/15/563235315.db2.gz HMCZRNIZFJNCEY-UHFFFAOYSA-N 0 0 301.345 4.170 50 0 DIAARN CCc1cccc(C)c1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000000272600 563235524 /nfs/dbraw/zinc/23/55/24/563235524.db2.gz IJMUTGZZIGWUMR-UHFFFAOYSA-N 0 0 317.454 4.283 50 0 DIAARN Cc1cccc(NC(=O)c2cccc(Br)c2)c1C ZINC000000299105 563237156 /nfs/dbraw/zinc/23/71/56/563237156.db2.gz JSFYVFWQZAOEFH-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000000303844 563237674 /nfs/dbraw/zinc/23/76/74/563237674.db2.gz CTCTVTGCTDYUIW-UHFFFAOYSA-N 0 0 305.324 4.106 50 0 DIAARN O=C(NC(=O)c1cccc2ccccc21)Nc1ccc(Cl)cc1 ZINC000000300637 563237917 /nfs/dbraw/zinc/23/79/17/563237917.db2.gz ORJBZNWXGLUAOM-UHFFFAOYSA-N 0 0 324.767 4.455 50 0 DIAARN CC(C)(C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C(C)(C)C)CC3 ZINC000000304440 563238250 /nfs/dbraw/zinc/23/82/50/563238250.db2.gz AHRBRPDOZTVILY-JTQLQIEISA-N 0 0 318.486 4.433 50 0 DIAARN COc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1C ZINC000000306740 563238281 /nfs/dbraw/zinc/23/82/81/563238281.db2.gz RXORBSWNYTVNTO-UHFFFAOYSA-N 0 0 314.312 4.350 50 0 DIAARN Cc1cc(Cl)ccc1NC(=S)NCc1ccc(F)cc1 ZINC000000306929 563238338 /nfs/dbraw/zinc/23/83/38/563238338.db2.gz GTJHWAZGBZAGJZ-UHFFFAOYSA-N 0 0 308.809 4.274 50 0 DIAARN Fc1ccccc1COc1ccc(C(=S)N2CCCC2)cc1 ZINC000000306713 563238649 /nfs/dbraw/zinc/23/86/49/563238649.db2.gz JFQIUEJMDJFBSH-UHFFFAOYSA-N 0 0 315.413 4.176 50 0 DIAARN CC(=O)Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1 ZINC000000308187 563238962 /nfs/dbraw/zinc/23/89/62/563238962.db2.gz KYTZHZKQDHKRAE-UHFFFAOYSA-N 0 0 321.471 4.086 50 0 DIAARN c1sc(N2CCN(c3ccccc3)CC2)nc1-c1ccccc1 ZINC000000309977 563238965 /nfs/dbraw/zinc/23/89/65/563238965.db2.gz XKHBELQLEUJDST-UHFFFAOYSA-N 0 0 321.449 4.137 50 0 DIAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccccc3c2N1 ZINC000000310974 563239701 /nfs/dbraw/zinc/23/97/01/563239701.db2.gz WFDYRWNXOWKPFB-INIZCTEOSA-N 0 0 317.344 4.043 50 0 DIAARN COc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1 ZINC000000316404 563240259 /nfs/dbraw/zinc/24/02/59/563240259.db2.gz OLISRXZWWDYXDI-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN C[C@H](CCc1ccccc1)N1C(=S)N[C@H]2C=C(Cl)C=C[C@H]21 ZINC000000314297 563240396 /nfs/dbraw/zinc/24/03/96/563240396.db2.gz DGQPNDLUJBWOAD-UHOFOFEASA-N 0 0 318.873 4.039 50 0 DIAARN Cc1nsc2sc(Br)c(Br)c12 ZINC000000337189 563242124 /nfs/dbraw/zinc/24/21/24/563242124.db2.gz WPGRDLJXDUKQEC-UHFFFAOYSA-N 0 0 313.039 4.191 50 0 DIAARN Cc1ccc(C(=O)Oc2cc(Cl)nnc2-c2ccccc2)cc1 ZINC000000344213 563242396 /nfs/dbraw/zinc/24/23/96/563242396.db2.gz JPZOWHBUGKWUEC-UHFFFAOYSA-N 0 0 324.767 4.325 50 0 DIAARN O=C(Nc1cccnc1)c1sc2cc(F)ccc2c1Cl ZINC000000342463 563242475 /nfs/dbraw/zinc/24/24/75/563242475.db2.gz IFUGFCGWLOMYBJ-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN COc1ccccc1-n1c(C)cc(SC)c(C(C)=O)c1=S ZINC000000344320 563242674 /nfs/dbraw/zinc/24/26/74/563242674.db2.gz SFIAPCMCAFXBIT-UHFFFAOYSA-N 0 0 319.451 4.448 50 0 DIAARN CSc1cccc(NC(=O)COc2c(C)cccc2C)c1 ZINC000000361037 563244226 /nfs/dbraw/zinc/24/42/26/563244226.db2.gz CEESYLFRAUMEQR-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN COc1ccc(CCCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000361024 563244335 /nfs/dbraw/zinc/24/43/35/563244335.db2.gz XAJSZTMSONHVBE-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(C)c(Br)c2)c1 ZINC000000359116 563244409 /nfs/dbraw/zinc/24/44/09/563244409.db2.gz JEEKZZVEFBUGPL-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN C[C@@H]1CC(C)(C)N([C@@H](O)C(Cl)(Cl)Cl)c2ccccc21 ZINC000000361818 563244732 /nfs/dbraw/zinc/24/47/32/563244732.db2.gz SRAQWSQXHMWXAT-SKDRFNHKSA-N 0 0 322.663 4.467 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000000363435 563245233 /nfs/dbraw/zinc/24/52/33/563245233.db2.gz HHWPYKQCLZPZMD-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000363752 563245516 /nfs/dbraw/zinc/24/55/16/563245516.db2.gz ASRGJVFVABOXKW-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN CCOc1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000000367295 563245807 /nfs/dbraw/zinc/24/58/07/563245807.db2.gz YFUGSMZGOMMVTK-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C)c2)c1 ZINC000000365534 563245926 /nfs/dbraw/zinc/24/59/26/563245926.db2.gz LPXFIJJJLSDNIU-UHFFFAOYSA-N 0 0 317.772 4.077 50 0 DIAARN CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 ZINC000000365085 563246118 /nfs/dbraw/zinc/24/61/18/563246118.db2.gz DBPOVYRITHHGRH-CYBMUJFWSA-N 0 0 301.411 4.123 50 0 DIAARN Cc1cccc(NC(=O)CCCC(=O)Nc2cccc(C)c2)c1 ZINC000000369796 563246478 /nfs/dbraw/zinc/24/64/78/563246478.db2.gz CZCCFMWRMZLYDH-UHFFFAOYSA-N 0 0 310.397 4.051 50 0 DIAARN COc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC(F)F ZINC000000374292 563246980 /nfs/dbraw/zinc/24/69/80/563246980.db2.gz QNFLDPSEMCPKMN-UHFFFAOYSA-N 0 0 321.323 4.166 50 0 DIAARN Cc1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000000380185 563247469 /nfs/dbraw/zinc/24/74/69/563247469.db2.gz LGXSFHNTKPFKOG-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN O=C(OCc1nc2c(ccc3ccccc23)[nH]1)C1CCCCC1 ZINC000000381304 563247560 /nfs/dbraw/zinc/24/75/60/563247560.db2.gz ZMNREELWNNHAIG-UHFFFAOYSA-N 0 0 308.381 4.340 50 0 DIAARN CCOc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 ZINC000000380038 563247696 /nfs/dbraw/zinc/24/76/96/563247696.db2.gz HMGYDFMTMUDXQY-CQSZACIVSA-N 0 0 315.438 4.346 50 0 DIAARN CCOc1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000000379583 563247757 /nfs/dbraw/zinc/24/77/57/563247757.db2.gz RIWBNDSNHRNABV-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN COc1ccc2c(c1)C(=O)N(Cc1ccccc1)[C@H]1CCCC[C@@H]21 ZINC000000384451 563248419 /nfs/dbraw/zinc/24/84/19/563248419.db2.gz MNMAEQVSXROYEC-ICSRJNTNSA-N 0 0 321.420 4.377 50 0 DIAARN COc1ccc(CNC(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000000387712 563249383 /nfs/dbraw/zinc/24/93/83/563249383.db2.gz CNBSNVNSRDWCMC-UHFFFAOYSA-N 0 0 323.392 4.297 50 0 DIAARN Cc1cc2nc(Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C ZINC000000394038 563249871 /nfs/dbraw/zinc/24/98/71/563249871.db2.gz BMTYNKWFBUDWAH-UHFFFAOYSA-N 0 0 304.397 4.264 50 0 DIAARN O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1 ZINC000000395588 563249894 /nfs/dbraw/zinc/24/98/94/563249894.db2.gz FHESUNXRPBHDQM-UHFFFAOYSA-N 0 0 318.328 4.125 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)OCc1ccc(F)cc1 ZINC000000397756 563250551 /nfs/dbraw/zinc/25/05/51/563250551.db2.gz MMJFXCODQJNOPL-UHFFFAOYSA-N 0 0 309.724 4.236 50 0 DIAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000000401762 563251274 /nfs/dbraw/zinc/25/12/74/563251274.db2.gz MLAXIXCOTZHDRD-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)C(C)(C)C)c12 ZINC000000409127 563252061 /nfs/dbraw/zinc/25/20/61/563252061.db2.gz AKTUMLFKDPZXGJ-UHFFFAOYSA-N 0 0 316.397 4.048 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000000433178 563253295 /nfs/dbraw/zinc/25/32/95/563253295.db2.gz NMSFYMYFGRLCRF-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCCC1 ZINC000000433859 563253475 /nfs/dbraw/zinc/25/34/75/563253475.db2.gz WFPPTRFOJWXSRY-UHFFFAOYSA-N 0 0 316.404 4.446 50 0 DIAARN CCNC(=O)c1cc(-c2ccc(CC)cc2)nc2ccccc21 ZINC000000433102 563253490 /nfs/dbraw/zinc/25/34/90/563253490.db2.gz IZLFMEYYYYTPLA-UHFFFAOYSA-N 0 0 304.393 4.214 50 0 DIAARN COc1ccc(C=O)cc1OCc1ccc(Cl)cc1Cl ZINC000000438717 563253999 /nfs/dbraw/zinc/25/39/99/563253999.db2.gz PQEBIWPTBHQIQJ-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN Cc1ccc(C)c(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000000441159 563254065 /nfs/dbraw/zinc/25/40/65/563254065.db2.gz WKQYPZJZDPNFPA-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN Fc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000000442992 563254363 /nfs/dbraw/zinc/25/43/63/563254363.db2.gz LHKOQTGGKWWHRW-UHFFFAOYSA-N 0 0 319.133 4.305 50 0 DIAARN Cc1cc(C)c(OCC(=O)Nc2ccccc2C)c(Cl)c1 ZINC000000443563 563254908 /nfs/dbraw/zinc/25/49/08/563254908.db2.gz UHWIVXIMUVGYKY-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000444640 563255098 /nfs/dbraw/zinc/25/50/98/563255098.db2.gz YRSGXKSVWLMXMX-NTEUORMPSA-N 0 0 308.381 4.077 50 0 DIAARN COc1ccc(CSc2nc3ccccc3n2C)cc1F ZINC000000446364 563255638 /nfs/dbraw/zinc/25/56/38/563255638.db2.gz MACBIICZUUGZJP-UHFFFAOYSA-N 0 0 302.374 4.013 50 0 DIAARN COc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000448286 563255710 /nfs/dbraw/zinc/25/57/10/563255710.db2.gz QWRHSNHNGIUKIW-UHFFFAOYSA-N 0 0 310.275 4.358 50 0 DIAARN CC(C)CN(CC(C)C)C(=O)c1ccccc1Br ZINC000000449698 563256075 /nfs/dbraw/zinc/25/60/75/563256075.db2.gz ZMYJDCDBJKVCDW-UHFFFAOYSA-N 0 0 312.251 4.203 50 0 DIAARN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2)cc1 ZINC000000451240 563256161 /nfs/dbraw/zinc/25/61/61/563256161.db2.gz VHEYCWSZIUGSIR-HZPDHXFCSA-N 0 0 311.425 4.141 50 0 DIAARN O=C1c2cc3ccccc3cc2C(=O)N1c1cccc(Cl)c1 ZINC000000452113 563256825 /nfs/dbraw/zinc/25/68/25/563256825.db2.gz DLIORDKWGQSNQA-UHFFFAOYSA-N 0 0 307.736 4.294 50 0 DIAARN Cc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1F ZINC000000455406 563257087 /nfs/dbraw/zinc/25/70/87/563257087.db2.gz HQVBXGMMUUSXEM-UHFFFAOYSA-N 0 0 307.752 4.195 50 0 DIAARN Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1C ZINC000000454772 563257203 /nfs/dbraw/zinc/25/72/03/563257203.db2.gz JHJCKMROXRCBNV-UHFFFAOYSA-N 0 0 324.405 4.176 50 0 DIAARN Cc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000454176 563257223 /nfs/dbraw/zinc/25/72/23/563257223.db2.gz FUAFPBAYVIOHOI-ZDUSSCGKSA-N 0 0 319.857 4.445 50 0 DIAARN Cc1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000000455220 563257248 /nfs/dbraw/zinc/25/72/48/563257248.db2.gz ZEFVPYOCDYAWMN-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000000457077 563257778 /nfs/dbraw/zinc/25/77/78/563257778.db2.gz HXGUWPSHVJSFDS-UHFFFAOYSA-N 0 0 312.438 4.047 50 0 DIAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccs1 ZINC000000456954 563257973 /nfs/dbraw/zinc/25/79/73/563257973.db2.gz KIEXESVVWYRPFM-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN C[C@H]1CCC[C@H](C)N1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000000460710 563258343 /nfs/dbraw/zinc/25/83/43/563258343.db2.gz VZWDDHKVUYNTOD-STQMWFEESA-N 0 0 309.837 4.287 50 0 DIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 ZINC000000461908 563259122 /nfs/dbraw/zinc/25/91/22/563259122.db2.gz UJUBYLACBLVSJM-UHFFFAOYSA-N 0 0 315.800 4.087 50 0 DIAARN Cc1ccc(OCC(=O)c2ccc(Br)cc2)cc1C ZINC000000466997 563259383 /nfs/dbraw/zinc/25/93/83/563259383.db2.gz NQVOHFKWXAEDCO-UHFFFAOYSA-N 0 0 319.198 4.328 50 0 DIAARN CC(C)Oc1cc(C(=O)NC2CCCCC2)c2ccccc2n1 ZINC000000467619 563259445 /nfs/dbraw/zinc/25/94/45/563259445.db2.gz ZNJXIPDDWBGKSQ-UHFFFAOYSA-N 0 0 312.413 4.085 50 0 DIAARN Cc1cc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)no1 ZINC000000464653 563259493 /nfs/dbraw/zinc/25/94/93/563259493.db2.gz JBAQLFBALAZIFB-GHRIWEEISA-N 0 0 304.349 4.162 50 0 DIAARN Cc1nc2ccccc2c2c1C(=O)N(C1CCCCCCC1)C2=O ZINC000000467959 563260107 /nfs/dbraw/zinc/26/01/07/563260107.db2.gz OZOINWKYMULJRK-UHFFFAOYSA-N 0 0 322.408 4.252 50 0 DIAARN COc1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 ZINC000000469887 563260185 /nfs/dbraw/zinc/26/01/85/563260185.db2.gz YOBKGXXALWFENT-CYBMUJFWSA-N 0 0 301.411 4.123 50 0 DIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000000471813 563260588 /nfs/dbraw/zinc/26/05/88/563260588.db2.gz BYSMFNTYNZUOGE-OAHLLOKOSA-N 0 0 319.788 4.145 50 0 DIAARN Cc1cccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)c1 ZINC000000473986 563261340 /nfs/dbraw/zinc/26/13/40/563261340.db2.gz CRTVIMKSSWXKIC-UHFFFAOYSA-N 0 0 304.393 4.348 50 0 DIAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000000475385 563261565 /nfs/dbraw/zinc/26/15/65/563261565.db2.gz AXNSNWACUZDKGJ-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN CCOc1ccc(C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000000476471 563261594 /nfs/dbraw/zinc/26/15/94/563261594.db2.gz UXOJKSASFCORAP-CYBMUJFWSA-N 0 0 313.372 4.206 50 0 DIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CCCCCC1 ZINC000000476298 563261800 /nfs/dbraw/zinc/26/18/00/563261800.db2.gz ZORGBFBWSHUFAR-CYBMUJFWSA-N 0 0 309.837 4.255 50 0 DIAARN Cc1c(C(=O)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000000478309 563262278 /nfs/dbraw/zinc/26/22/78/563262278.db2.gz UEYKQFKCXMRWNW-UHFFFAOYSA-N 0 0 318.328 4.387 50 0 biogenic DIAARN CC(C)Oc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000000479449 563262314 /nfs/dbraw/zinc/26/23/14/563262314.db2.gz FFSTXISXZXPYMJ-UHFFFAOYSA-N 0 0 313.441 4.028 50 0 DIAARN CC(=O)O[C@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 ZINC000000481570 563262946 /nfs/dbraw/zinc/26/29/46/563262946.db2.gz SBKMXGVIXAFDHO-IAGOWNOFSA-N 0 0 317.772 4.112 50 0 DIAARN O=c1c2c(-c3cccs3)csc2ncn1-c1ccccc1 ZINC000000502328 563263484 /nfs/dbraw/zinc/26/34/84/563263484.db2.gz HFQWXVVHHPYILW-UHFFFAOYSA-N 0 0 310.403 4.176 50 0 DIAARN Nc1nc(SCc2ccccc2)nc2sc3c(c21)CCC3 ZINC000000495536 563263550 /nfs/dbraw/zinc/26/35/50/563263550.db2.gz RCUCCTQGFYUSHG-UHFFFAOYSA-N 0 0 313.451 4.055 50 0 DIAARN Cc1ccc(C(=O)Nc2ccccc2Br)cc1C ZINC000000514155 563264020 /nfs/dbraw/zinc/26/40/20/563264020.db2.gz KPIPEMUEASCIDI-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1cc2nc(NC(=O)NC3CCCCC3)sc2cc1C ZINC000000528987 563264786 /nfs/dbraw/zinc/26/47/86/563264786.db2.gz YUGNSXJDANESTR-UHFFFAOYSA-N 0 0 303.431 4.367 50 0 DIAARN Cc1ccc(SCC(=O)N2N=CC[C@H]2c2ccccc2)cc1 ZINC000000544461 563265220 /nfs/dbraw/zinc/26/52/20/563265220.db2.gz XKOSPQCGTDSZJZ-KRWDZBQOSA-N 0 0 310.422 4.047 50 0 DIAARN Cc1ccc(SCC(=O)N2N=CC[C@@H]2c2ccccc2)cc1 ZINC000000544460 563265496 /nfs/dbraw/zinc/26/54/96/563265496.db2.gz XKOSPQCGTDSZJZ-QGZVFWFLSA-N 0 0 310.422 4.047 50 0 DIAARN Cc1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1C ZINC000000556145 563265915 /nfs/dbraw/zinc/26/59/15/563265915.db2.gz YKLMQDCODXEPFK-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccccc2)c(C)c1 ZINC000000552669 563266138 /nfs/dbraw/zinc/26/61/38/563266138.db2.gz NSGXVUYONRSOBY-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1C ZINC000000573502 563267719 /nfs/dbraw/zinc/26/77/19/563267719.db2.gz HJZMNCYBKPKQRC-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN CCc1ccc(CC)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000000575948 563267771 /nfs/dbraw/zinc/26/77/71/563267771.db2.gz FHZZEFQDHFCNRE-UHFFFAOYSA-N 0 0 317.454 4.229 50 0 DIAARN Cc1sc2[nH]c(=S)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000000586172 563268366 /nfs/dbraw/zinc/26/83/66/563268366.db2.gz WMASTILJZKYNKN-UHFFFAOYSA-N 0 0 302.424 4.035 50 0 DIAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3C(F)(F)F)cc1 ZINC000000610264 563268882 /nfs/dbraw/zinc/26/88/82/563268882.db2.gz KEULBIUOYVYXRG-UHFFFAOYSA-N 0 0 321.302 4.041 50 0 DIAARN CSc1ccccc1NC(=O)CSc1ccc(C)cc1 ZINC000000612007 563268884 /nfs/dbraw/zinc/26/88/84/563268884.db2.gz AEWBWUPAOOCCDF-UHFFFAOYSA-N 0 0 303.452 4.448 50 0 DIAARN Fc1ccc(NC(=S)N2CCc3ccccc3C2)cc1Cl ZINC000000612379 563269421 /nfs/dbraw/zinc/26/94/21/563269421.db2.gz AMHHZAWQGDLIBH-UHFFFAOYSA-N 0 0 320.820 4.234 50 0 DIAARN COc1ccc(OC)c(NC(=S)Nc2cc(C)cc(C)c2)c1 ZINC000000612704 563269439 /nfs/dbraw/zinc/26/94/39/563269439.db2.gz ABRNXGBWJWRPIT-UHFFFAOYSA-N 0 0 316.426 4.130 50 0 DIAARN CCOC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000613718 563269450 /nfs/dbraw/zinc/26/94/50/563269450.db2.gz KQRSTNBCVYQNJM-UHFFFAOYSA-N 0 0 318.760 4.161 50 0 DIAARN Fc1ccccc1C1N=NC(=S)N1c1cccc(Cl)c1 ZINC000000616460 563270199 /nfs/dbraw/zinc/27/01/99/563270199.db2.gz PKOMLSMYQDYONW-UHFFFAOYSA-N 0 0 305.765 4.016 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000000618865 563270339 /nfs/dbraw/zinc/27/03/39/563270339.db2.gz NOSJRIVSBJBHFQ-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CCCC(=O)Nc1ccccc1NC(=O)CCC1CCCC1 ZINC000000618166 563270527 /nfs/dbraw/zinc/27/05/27/563270527.db2.gz KTYHZIVXPKFCSN-UHFFFAOYSA-N 0 0 302.418 4.334 50 0 DIAARN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1OCC ZINC000000618436 563270628 /nfs/dbraw/zinc/27/06/28/563270628.db2.gz GRDQLHZANDRMAW-UHFFFAOYSA-N 0 0 319.445 4.327 50 0 DIAARN COc1cccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000000620373 563271038 /nfs/dbraw/zinc/27/10/38/563271038.db2.gz DRNGAFVGHKPDKJ-LJQANCHMSA-N 0 0 309.409 4.357 50 0 DIAARN Cc1nn(C(=O)C2CC2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000621402 563271073 /nfs/dbraw/zinc/27/10/73/563271073.db2.gz MUWZYMATJKPWEO-UHFFFAOYSA-N 0 0 306.818 4.355 50 0 DIAARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccco1 ZINC000000778619 563271826 /nfs/dbraw/zinc/27/18/26/563271826.db2.gz KDVFQNOKIVNOAB-UHFFFAOYSA-N 0 0 322.295 4.479 50 0 DIAARN CCn1ccc(C(=O)Nc2ccccc2Sc2ccccc2)n1 ZINC000001002131 563273646 /nfs/dbraw/zinc/27/36/46/563273646.db2.gz OSZIRXIIQRTHQM-UHFFFAOYSA-N 0 0 323.421 4.307 50 0 DIAARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)o1 ZINC000001002099 563273823 /nfs/dbraw/zinc/27/38/23/563273823.db2.gz NAPDEVDDPOCUDN-UHFFFAOYSA-N 0 0 301.239 4.307 50 0 DIAARN CC(=O)O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 ZINC000000988104 563273974 /nfs/dbraw/zinc/27/39/74/563273974.db2.gz SBKMXGVIXAFDHO-SJORKVTESA-N 0 0 317.772 4.112 50 0 DIAARN COc1ccc(NC(=O)Cc2cccc3ccccc32)cc1OC ZINC000001009419 563274445 /nfs/dbraw/zinc/27/44/45/563274445.db2.gz DCKKXJJIRMJRBR-UHFFFAOYSA-N 0 0 321.376 4.038 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1 ZINC000001032082 563275409 /nfs/dbraw/zinc/27/54/09/563275409.db2.gz CZBPYWHNBKVBMC-UHFFFAOYSA-N 0 0 305.333 4.071 50 0 DIAARN O=C(Nc1ccc(COCC(F)(F)F)cc1)c1cccs1 ZINC000001107056 563277894 /nfs/dbraw/zinc/27/78/94/563277894.db2.gz QDYLSCFNZMRCSS-UHFFFAOYSA-N 0 0 315.316 4.079 50 0 DIAARN Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)CCCC3)c1 ZINC000001163686 563278439 /nfs/dbraw/zinc/27/84/39/563278439.db2.gz AODOBISXUMENSB-UHFFFAOYSA-N 0 0 309.409 4.200 50 0 DIAARN CC(C)(C)c1cc(C(=O)Nc2nc3ccccc3s2)ccn1 ZINC000001314996 563280607 /nfs/dbraw/zinc/28/06/07/563280607.db2.gz MBGZTKCRLRLDSL-UHFFFAOYSA-N 0 0 311.410 4.241 50 0 DIAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1 ZINC000001386422 563281426 /nfs/dbraw/zinc/28/14/26/563281426.db2.gz YXRZPWSCYIXPDK-UHFFFAOYSA-N 0 0 320.348 4.113 50 0 DIAARN O=C1CCC[C@H](Sc2nnc(SC3CCCC3)s2)C1 ZINC000001387003 563281480 /nfs/dbraw/zinc/28/14/80/563281480.db2.gz FAQJMAPEWLKYCY-NSHDSACASA-N 0 0 314.501 4.177 50 0 DIAARN COc1ccc(Nc2ncnc3cc(Cl)ccc32)c(OC)c1 ZINC000001387059 563282055 /nfs/dbraw/zinc/28/20/55/563282055.db2.gz WLIDDHPHFYKTRV-UHFFFAOYSA-N 0 0 315.760 4.044 50 0 DIAARN COC(=O)c1cc2cc(NC(=O)c3cccs3)ccc2s1 ZINC000001392861 563282101 /nfs/dbraw/zinc/28/21/01/563282101.db2.gz GSSGIHAKGHVUHB-UHFFFAOYSA-N 0 0 317.391 4.002 50 0 DIAARN CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000001392582 563282117 /nfs/dbraw/zinc/28/21/17/563282117.db2.gz UKFLZUSGGMHTAF-UHFFFAOYSA-N 0 0 312.438 4.111 50 0 DIAARN CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCC1=O ZINC000001394519 563282318 /nfs/dbraw/zinc/28/23/18/563282318.db2.gz VTSQWOUUCINPRV-HOCLYGCPSA-N 0 0 323.820 4.277 50 0 DIAARN COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000001397618 563282669 /nfs/dbraw/zinc/28/26/69/563282669.db2.gz RJBRCKFSLRTDBS-OAHLLOKOSA-N 0 0 320.747 4.009 50 0 DIAARN COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000001397573 563282799 /nfs/dbraw/zinc/28/27/99/563282799.db2.gz ORJDDJNWYJLTSK-MRXNPFEDSA-N 0 0 316.784 4.178 50 0 DIAARN CC(=O)c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000001426050 563283469 /nfs/dbraw/zinc/28/34/69/563283469.db2.gz XPEPATLTXAWZGQ-UHFFFAOYSA-N 0 0 315.372 4.393 50 0 DIAARN COc1ccc(-c2csc(C(=O)N3CCCCC3)c2)cc1 ZINC000001501498 563284849 /nfs/dbraw/zinc/28/48/49/563284849.db2.gz JDLOWQIIDVILCA-UHFFFAOYSA-N 0 0 301.411 4.050 50 0 DIAARN CCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001739278 563294579 /nfs/dbraw/zinc/29/45/79/563294579.db2.gz IGOSJDPBTLTXOW-UHFFFAOYSA-N 0 0 311.406 4.203 50 0 DIAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c1 ZINC000001791414 563295655 /nfs/dbraw/zinc/29/56/55/563295655.db2.gz DCYFHCXAWLPHND-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccncc1 ZINC000001791418 563295711 /nfs/dbraw/zinc/29/57/11/563295711.db2.gz HQCHZJVZTOXQFP-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Cc1ccc(N2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 ZINC000001787891 563295886 /nfs/dbraw/zinc/29/58/86/563295886.db2.gz QPBHNYNQVQPNMW-GDNBJRDFSA-N 0 0 313.353 4.375 50 0 DIAARN OCCCc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000001824352 563296354 /nfs/dbraw/zinc/29/63/54/563296354.db2.gz JUKUCZMIXIZRBG-UHFFFAOYSA-N 0 0 316.404 4.163 50 0 DIAARN C[C@H](O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000001926770 563296950 /nfs/dbraw/zinc/29/69/50/563296950.db2.gz XSRQJQCUTJPEFK-JTQLQIEISA-N 0 0 321.207 4.445 50 0 DIAARN COc1ccc(OC)c(NC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000001952240 563297971 /nfs/dbraw/zinc/29/79/71/563297971.db2.gz UCKPOZWDKLDMAF-RMKNXTFCSA-N 0 0 317.772 4.009 50 0 DIAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1C ZINC000002024789 563298115 /nfs/dbraw/zinc/29/81/15/563298115.db2.gz JSHYNUHFVCPZLW-UHFFFAOYSA-N 0 0 320.392 4.449 50 0 DIAARN COc1ccc(OCCSc2nc3ccccc3s2)cc1 ZINC000002125277 563300187 /nfs/dbraw/zinc/30/01/87/563300187.db2.gz KMWXAWACGTYVEW-UHFFFAOYSA-N 0 0 317.435 4.476 50 0 DIAARN O=C(NCc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002141412 563300366 /nfs/dbraw/zinc/30/03/66/563300366.db2.gz SXTJDCAFBUAELH-UHFFFAOYSA-N 0 0 318.682 4.274 50 0 DIAARN CCc1ccc(OCCOCCOc2ccc(CC)cc2)cc1 ZINC000002190773 563301405 /nfs/dbraw/zinc/30/14/05/563301405.db2.gz KZHXCEFGXRSDTG-UHFFFAOYSA-N 0 0 314.425 4.286 50 0 DIAARN CCCOc1cccc(-c2nc3ccc(Cl)cc3c(=O)o2)c1 ZINC000002185893 563301504 /nfs/dbraw/zinc/30/15/04/563301504.db2.gz COVJIZKWNPMSBY-UHFFFAOYSA-N 0 0 315.756 4.297 50 0 DIAARN Cc1cccc(-c2nnc(SCc3ccccc3C)n2C)c1 ZINC000002224903 563302445 /nfs/dbraw/zinc/30/24/45/563302445.db2.gz RPNPPUMFHCODOQ-UHFFFAOYSA-N 0 0 309.438 4.391 50 0 DIAARN CCCCNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002344252 563302978 /nfs/dbraw/zinc/30/29/78/563302978.db2.gz MCQBSMYQTSRWJI-UHFFFAOYSA-N 0 0 310.422 4.493 50 0 DIAARN COc1cc(CO)ccc1OCc1c(Cl)cccc1Cl ZINC000002430182 563303492 /nfs/dbraw/zinc/30/34/92/563303492.db2.gz AWKZRACPHFVFDL-UHFFFAOYSA-N 0 0 313.180 4.073 50 0 DIAARN Cc1ccc(-c2cc(C(F)F)nc(N3CCCCC3)n2)cc1 ZINC000002460218 563303798 /nfs/dbraw/zinc/30/37/98/563303798.db2.gz OICFDEQJIMYSII-UHFFFAOYSA-N 0 0 303.356 4.380 50 0 DIAARN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000002485315 563304296 /nfs/dbraw/zinc/30/42/96/563304296.db2.gz LRFPRQXBDQUNSP-UHFFFAOYSA-N 0 0 316.228 4.165 50 0 DIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 ZINC000002492878 563304414 /nfs/dbraw/zinc/30/44/14/563304414.db2.gz OXMUJJPXNUBXPP-BJOHPYRUSA-N 0 0 316.401 4.441 50 0 DIAARN CCOC(=O)c1ccc(C(=O)CCc2ccc(C)cc2C)cc1 ZINC000002517483 563307272 /nfs/dbraw/zinc/30/72/72/563307272.db2.gz HHKDXRRCFCPVPB-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN CCOc1ccc(NCCC(=O)c2ccc(OCC)cc2)cc1 ZINC000002521020 563307864 /nfs/dbraw/zinc/30/78/64/563307864.db2.gz KBIDBOTYUPXZAL-UHFFFAOYSA-N 0 0 313.397 4.169 50 0 DIAARN CCCCc1ccc(NC(=O)CSc2ccc(N)cc2)cc1 ZINC000002544804 563308239 /nfs/dbraw/zinc/30/82/39/563308239.db2.gz UBVXGSIJWMJKLM-UHFFFAOYSA-N 0 0 314.454 4.342 50 0 DIAARN Cc1cc(N2C(=S)N=NC2c2ccncc2)ccc1C(C)C ZINC000002543630 563308471 /nfs/dbraw/zinc/30/84/71/563308471.db2.gz XDFSWNXPXJMPGB-UHFFFAOYSA-N 0 0 310.426 4.050 50 0 DIAARN CC(C)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 ZINC000002532635 563308540 /nfs/dbraw/zinc/30/85/40/563308540.db2.gz ABKKXKJKWWNVKT-UHFFFAOYSA-N 0 0 312.800 4.222 50 0 DIAARN Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C ZINC000002563780 563308967 /nfs/dbraw/zinc/30/89/67/563308967.db2.gz OZMQFZLYHMJMSA-UHFFFAOYSA-N 0 0 310.191 4.495 50 0 DIAARN Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCC2 ZINC000002558446 563309140 /nfs/dbraw/zinc/30/91/40/563309140.db2.gz ZSGMBNWGKGKEIY-UHFFFAOYSA-N 0 0 306.818 4.115 50 0 DIAARN CCN(CC)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002737428 563311924 /nfs/dbraw/zinc/31/19/24/563311924.db2.gz QKOGQYGGYGRZBO-UHFFFAOYSA-N 0 0 316.832 4.367 50 0 DIAARN CCN(C(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000002742503 563312035 /nfs/dbraw/zinc/31/20/35/563312035.db2.gz DVUGBGYMIUSEBE-UHFFFAOYSA-N 0 0 310.235 4.244 50 0 DIAARN Cc1cc(Cl)ccc1OCCCC(=O)NC1CCCCC1 ZINC000002742066 563312067 /nfs/dbraw/zinc/31/20/67/563312067.db2.gz BEBAEEOSEZLCJN-UHFFFAOYSA-N 0 0 309.837 4.256 50 0 DIAARN CC(C)CNC(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000002750396 563312217 /nfs/dbraw/zinc/31/22/17/563312217.db2.gz OCKVOIBEAWXXMV-UHFFFAOYSA-N 0 0 317.816 4.305 50 0 DIAARN Cc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000002749949 563312367 /nfs/dbraw/zinc/31/23/67/563312367.db2.gz MQZBASHQHDFTHV-VAWYXSNFSA-N 0 0 319.448 4.490 50 0 DIAARN CCNC(=O)c1cc2sc(C)cc2n1[C@@H](C)c1ccccc1 ZINC000034680257 563312902 /nfs/dbraw/zinc/31/29/02/563312902.db2.gz QKRGZTJUMRNFGA-ZDUSSCGKSA-N 0 0 312.438 4.370 50 0 DIAARN 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313.422 4.053 50 0 DIAARN Cc1ccc(CN(C)C(=O)Cc2cccc3cccnc32)c(C)c1 ZINC000032885636 563407748 /nfs/dbraw/zinc/40/77/48/563407748.db2.gz CKTFHEPKUBKYDX-UHFFFAOYSA-N 0 0 318.420 4.053 50 0 DIAARN COc1cccc(NC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000032893535 563409126 /nfs/dbraw/zinc/40/91/26/563409126.db2.gz FIGKCGLALJEETD-MLGOLLRUSA-N 0 0 314.385 4.076 50 0 DIAARN Cc1occc1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000032900581 563409645 /nfs/dbraw/zinc/40/96/45/563409645.db2.gz JKSJSEPXIJYBFS-UHFFFAOYSA-N 0 0 315.316 4.495 50 0 DIAARN Cc1ccsc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000032906969 563410875 /nfs/dbraw/zinc/41/08/75/563410875.db2.gz WSSVRNOJUKZFDN-UHFFFAOYSA-N 0 0 316.426 4.293 50 0 DIAARN COCCc1ccc(Oc2ncnc3cc(Cl)ccc32)cc1 ZINC000032907681 563411034 /nfs/dbraw/zinc/41/10/34/563411034.db2.gz YPJAXAWNPFMEHO-UHFFFAOYSA-N 0 0 314.772 4.264 50 0 DIAARN Cc1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1 ZINC000032930535 563413659 /nfs/dbraw/zinc/41/36/59/563413659.db2.gz YVGXPQSVPRQMLB-UHFFFAOYSA-N 0 0 318.376 4.112 50 0 DIAARN CN(C(=O)c1ccc(-c2ccccc2)cc1F)c1nccs1 ZINC000048230699 563415376 /nfs/dbraw/zinc/41/53/76/563415376.db2.gz VQKTTWMLGXKIQD-UHFFFAOYSA-N 0 0 312.369 4.226 50 0 DIAARN CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000020538239 563416814 /nfs/dbraw/zinc/41/68/14/563416814.db2.gz JGRWZFQCJZXSCS-LBPRGKRZSA-N 0 0 302.349 4.107 50 0 DIAARN CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)[nH]1 ZINC000021298132 563417527 /nfs/dbraw/zinc/41/75/27/563417527.db2.gz ILXRSCZVHSZGCS-UHFFFAOYSA-N 0 0 304.397 4.378 50 0 in-vitro DIAARN C[C@H](NCc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1 ZINC000069845902 563417777 /nfs/dbraw/zinc/41/77/77/563417777.db2.gz IJXTUUWBJQMBTQ-JTQLQIEISA-N 0 0 319.817 4.302 50 0 DIAARN CCCn1c2ccccc2nc1NC(=O)CCc1cccs1 ZINC000021597653 563418402 /nfs/dbraw/zinc/41/84/02/563418402.db2.gz XWAQGHXSBWAYJN-UHFFFAOYSA-N 0 0 313.426 4.079 50 0 DIAARN Cc1cccc(O[C@H](C)C(=O)N2CCCc3cc(C)ccc32)c1 ZINC000023689606 563419721 /nfs/dbraw/zinc/41/97/21/563419721.db2.gz LXHARLVZTZFIDT-MRXNPFEDSA-N 0 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IFNZFUWKUUPQTN-CALCHBBNSA-N 0 0 305.377 4.076 50 0 DIAARN Cc1ccc(-n2ccnc2S[C@@H]2CCCCC2=O)cc1C ZINC000026044483 563424482 /nfs/dbraw/zinc/42/44/82/563424482.db2.gz YBUHEULWZBVZJP-MRXNPFEDSA-N 0 0 300.427 4.093 50 0 DIAARN Cc1cc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000025879912 563424568 /nfs/dbraw/zinc/42/45/68/563424568.db2.gz VPEGOEHYVVJRLY-NRFANRHFSA-N 0 0 318.420 4.217 50 0 DIAARN Cc1ccc(-n2ccnc2S[C@@H]2CCCCCC2=O)cc1C ZINC000026044772 563424615 /nfs/dbraw/zinc/42/46/15/563424615.db2.gz FMWOTOUMSPAATB-QGZVFWFLSA-N 0 0 314.454 4.483 50 0 DIAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2ncc3ccccn32)c1 ZINC000026371985 563425937 /nfs/dbraw/zinc/42/59/37/563425937.db2.gz RLQVRFGPYYGSRX-AWEZNQCLSA-N 0 0 310.422 4.315 50 0 DIAARN O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000026905883 563426485 /nfs/dbraw/zinc/42/64/85/563426485.db2.gz IOCNLHFTIWBOHS-ICSRJNTNSA-N 0 0 305.421 4.443 50 0 DIAARN CC(=O)Nc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000026688323 563426823 /nfs/dbraw/zinc/42/68/23/563426823.db2.gz 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/nfs/dbraw/zinc/43/13/28/563431328.db2.gz LHWIQZZSFICCOI-UHFFFAOYSA-N 0 0 320.367 4.376 50 0 DIAARN Cc1nc2cc(NC(=O)CCc3ccccc3Cl)ccc2o1 ZINC000028307377 563431551 /nfs/dbraw/zinc/43/15/51/563431551.db2.gz QVBYXFCROXTFDM-UHFFFAOYSA-N 0 0 314.772 4.361 50 0 DIAARN Cc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)c1 ZINC000028292158 563431654 /nfs/dbraw/zinc/43/16/54/563431654.db2.gz YGXMEPYWNHPVJL-UHFFFAOYSA-N 0 0 320.367 4.376 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2Cl)cc1 ZINC000028579808 563432180 /nfs/dbraw/zinc/43/21/80/563432180.db2.gz SPVYMAZXMOYOLF-LLVKDONJSA-N 0 0 304.777 4.231 50 0 DIAARN CCOc1ccccc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000032958743 563432360 /nfs/dbraw/zinc/43/23/60/563432360.db2.gz JKUDPHRCIQFROZ-UHFFFAOYSA-N 0 0 324.424 4.328 50 0 DIAARN C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 ZINC000028781729 563433044 /nfs/dbraw/zinc/43/30/44/563433044.db2.gz SYOHQCWRSPDTCR-JTQLQIEISA-N 0 0 316.813 4.441 50 0 DIAARN CC(=O)c1cccc(N[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000028809882 563433202 /nfs/dbraw/zinc/43/32/02/563433202.db2.gz AKXSDDMLBXOHBY-CYBMUJFWSA-N 0 0 320.392 4.362 50 0 DIAARN CN(C)[C@H](CNc1nc2ccccc2o1)c1ccccc1Cl ZINC000029336025 563433545 /nfs/dbraw/zinc/43/35/45/563433545.db2.gz GQLBWGFJDUCKFE-OAHLLOKOSA-N 0 0 315.804 4.196 50 0 DIAARN COCc1ccccc1NC(=O)Nc1ccc(SC)cc1 ZINC000072282521 563433799 /nfs/dbraw/zinc/43/37/99/563433799.db2.gz JMYKMFCMMXBKAB-UHFFFAOYSA-N 0 0 302.399 4.199 50 0 DIAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000072285800 563434679 /nfs/dbraw/zinc/43/46/79/563434679.db2.gz ZFZQNLBUWBBOQG-BZUAXINKSA-N 0 0 312.438 4.000 50 0 DIAARN C[C@H](Sc1nc2ccccc2[nH]1)c1nc(-c2ccco2)no1 ZINC000029738100 563435427 /nfs/dbraw/zinc/43/54/27/563435427.db2.gz PQKGXGHHCDGPHN-VIFPVBQESA-N 0 0 312.354 4.059 50 0 DIAARN O=C(CC(C1CC1)C1CC1)N1CCCC[C@H]1c1nccs1 ZINC000072285947 563435493 /nfs/dbraw/zinc/43/54/93/563435493.db2.gz UULZIBLJIIOJQJ-HNNXBMFYSA-N 0 0 304.459 4.023 50 0 DIAARN Cc1cccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 ZINC000011052286 563435588 /nfs/dbraw/zinc/43/55/88/563435588.db2.gz NAPDXRYOQFIVGN-AWEZNQCLSA-N 0 0 323.392 4.011 50 0 DIAARN Cc1nccn1Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000072290951 563436051 /nfs/dbraw/zinc/43/60/51/563436051.db2.gz FOCHZRNLXNWKJM-UHFFFAOYSA-N 0 0 320.396 4.192 50 0 DIAARN Cc1cc(C)cc(COc2ccc(CO)cc2Br)c1 ZINC000029753863 563436406 /nfs/dbraw/zinc/43/64/06/563436406.db2.gz WNNCOLMJGGPEQW-UHFFFAOYSA-N 0 0 321.214 4.137 50 0 DIAARN CC(C)S(=O)(=O)Cc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000072290450 563436414 /nfs/dbraw/zinc/43/64/14/563436414.db2.gz KNOVGDFQFBJUSH-HNNXBMFYSA-N 0 0 317.454 4.183 50 0 DIAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl ZINC000030163201 563436548 /nfs/dbraw/zinc/43/65/48/563436548.db2.gz KEEFMVSOHGNPEP-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN Cc1cccc([C@H](C)C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000072292356 563437375 /nfs/dbraw/zinc/43/73/75/563437375.db2.gz XZUMOBQDWNPTEG-HOCLYGCPSA-N 0 0 314.454 4.309 50 0 DIAARN CCOc1ccc(Nc2nnc(C)c3ccccc32)cc1OCC ZINC000030618905 563437581 /nfs/dbraw/zinc/43/75/81/563437581.db2.gz CNELXCORIYDRHA-UHFFFAOYSA-N 0 0 323.396 4.479 50 0 DIAARN Cc1ccc(CN[C@@H](c2nccn2C)c2ccc(F)cc2)c(C)c1 ZINC000030644370 563437616 /nfs/dbraw/zinc/43/76/16/563437616.db2.gz IATBQHMMQRNPDI-LJQANCHMSA-N 0 0 323.415 4.055 50 0 DIAARN Cc1cccc(-c2noc(CN(C)[C@H]3CCc4ccccc43)n2)c1 ZINC000030925751 563439745 /nfs/dbraw/zinc/43/97/45/563439745.db2.gz GKZKIEPOSGWMAX-SFHVURJKSA-N 0 0 319.408 4.164 50 0 DIAARN O=C(NCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000031723432 563440303 /nfs/dbraw/zinc/44/03/03/563440303.db2.gz DUPBHTRKSWDCNL-UHFFFAOYSA-N 0 0 312.266 4.166 50 0 DIAARN Cc1ccccc1NC(=O)/C=C1/c2ccccc2CC(C)(C)N1C ZINC000032609509 563443013 /nfs/dbraw/zinc/44/30/13/563443013.db2.gz FRLKGFIHEPEJQR-UYRXBGFRSA-N 0 0 320.436 4.241 50 0 DIAARN O=S(=O)(Oc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000032602179 563443215 /nfs/dbraw/zinc/44/32/15/563443215.db2.gz AFRHRBSHQLJWES-UHFFFAOYSA-N 0 0 318.781 4.261 50 0 DIAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000033270517 563444896 /nfs/dbraw/zinc/44/48/96/563444896.db2.gz VUOQRRSEXQLNSW-AWEZNQCLSA-N 0 0 319.792 4.314 50 0 DIAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1C ZINC000033270618 563445045 /nfs/dbraw/zinc/44/50/45/563445045.db2.gz XQMYBXWLXNIJTQ-OAHLLOKOSA-N 0 0 313.401 4.223 50 0 DIAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)C1CCC1 ZINC000032960611 563446489 /nfs/dbraw/zinc/44/64/89/563446489.db2.gz PBNRWWRGDCJWCP-UHFFFAOYSA-N 0 0 319.408 4.087 50 0 DIAARN CC(C)n1cc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000072309723 563446869 /nfs/dbraw/zinc/44/68/69/563446869.db2.gz SBEZUCYKFUEIQV-NSHDSACASA-N 0 0 306.797 4.000 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1sc(N)nc1-c1ccccc1 ZINC000000091834 563446893 /nfs/dbraw/zinc/44/68/93/563446893.db2.gz RHAXXDLHKXJSPM-UHFFFAOYSA-N 0 0 323.421 4.261 50 0 DIAARN O=C1O[C@](Oc2ccccc2)(c2ccccc2)c2ccccc21 ZINC000000174536 563447075 /nfs/dbraw/zinc/44/70/75/563447075.db2.gz BXSVDIXBJXSAPS-HXUWFJFHSA-N 0 0 302.329 4.137 50 0 DIAARN O=CN1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000000436287 563447511 /nfs/dbraw/zinc/44/75/11/563447511.db2.gz ZDVYLNJZXDEJGP-HXUWFJFHSA-N 0 0 300.361 4.147 50 0 DIAARN CC(=O)OC[C@@]12CO[C@H](c3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C ZINC000000519032 563447936 /nfs/dbraw/zinc/44/79/36/563447936.db2.gz VCHXOWGOUYSRMD-TYIJSKFUSA-N 0 0 314.425 4.156 50 0 biogenic DIAARN CCN(C(=O)c1cccc(NC(=O)C(C)C)c1)C1CCCCC1 ZINC000000465645 563448033 /nfs/dbraw/zinc/44/80/33/563448033.db2.gz GQTBGOGCCJHBMU-UHFFFAOYSA-N 0 0 316.445 4.076 50 0 DIAARN COc1ccccc1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000000462545 563448195 /nfs/dbraw/zinc/44/81/95/563448195.db2.gz YGRDYWFBSYUWMW-UHFFFAOYSA-N 0 0 311.425 4.065 50 0 DIAARN Nc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 ZINC000001210991 563448240 /nfs/dbraw/zinc/44/82/40/563448240.db2.gz YDRLONDOZBTIMP-UHFFFAOYSA-N 0 0 312.423 4.047 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CCCOc1ccccc1 ZINC000001779463 563448253 /nfs/dbraw/zinc/44/82/53/563448253.db2.gz ROYAGZPEIVPDEI-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN O=C(C[C@H](c1cccs1)[C@H]1CCCCC1=O)c1ccco1 ZINC000001473373 563448347 /nfs/dbraw/zinc/44/83/47/563448347.db2.gz LADJMFXETZURBR-OLZOCXBDSA-N 0 0 302.395 4.457 50 0 DIAARN Cc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)o1 ZINC000022135252 563449606 /nfs/dbraw/zinc/44/96/06/563449606.db2.gz NYFRMWXDESQFFB-UHFFFAOYSA-N 0 0 305.333 4.071 50 0 DIAARN CC(=O)C(C(C)=O)[C@@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000004634821 563449801 /nfs/dbraw/zinc/44/98/01/563449801.db2.gz UVMXTWKYFJFXEM-GOSISDBHSA-N 0 0 314.768 4.372 50 0 DIAARN Oc1ccc(-c2nc3ccccn3c2Nc2ccccc2)cc1 ZINC000035615763 563453215 /nfs/dbraw/zinc/45/32/15/563453215.db2.gz OXWJYMKOBUNKGU-UHFFFAOYSA-N 0 0 301.349 4.451 50 0 DIAARN COCCCNC(=O)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000035561725 563453337 /nfs/dbraw/zinc/45/33/37/563453337.db2.gz DAKZVKINIPCODB-MRXNPFEDSA-N 0 0 324.852 4.003 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000032971458 563454209 /nfs/dbraw/zinc/45/42/09/563454209.db2.gz DVONIOQURIXMFK-UHFFFAOYSA-N 0 0 323.327 4.005 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000036620852 563455796 /nfs/dbraw/zinc/45/57/96/563455796.db2.gz VHAZOAMCJYBZFR-SFHVURJKSA-N 0 0 310.397 4.373 50 0 DIAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1ccccc1F ZINC000036621144 563456409 /nfs/dbraw/zinc/45/64/09/563456409.db2.gz RYNNXDGBWBOCDD-INIZCTEOSA-N 0 0 302.324 4.334 50 0 DIAARN c1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cs1 ZINC000032975248 563457128 /nfs/dbraw/zinc/45/71/28/563457128.db2.gz BHZWPGNLPPPSJN-UHFFFAOYSA-N 0 0 311.410 4.455 50 0 DIAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@H]2C[C@@H]2C)n1 ZINC000032986015 563458921 /nfs/dbraw/zinc/45/89/21/563458921.db2.gz OUMKWRGWMLDUEX-CABZTGNLSA-N 0 0 311.410 4.194 50 0 DIAARN Fc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc[nH]2)c(F)c1F ZINC000038329528 563459968 /nfs/dbraw/zinc/45/99/68/563459968.db2.gz XCGQROJURKZJOU-UHFFFAOYSA-N 0 0 312.241 4.219 50 0 DIAARN O=C(c1cc2ccccc2o1)N(C[C@H]1CCOC1)c1ccccc1 ZINC000071805632 563460916 /nfs/dbraw/zinc/46/09/16/563460916.db2.gz KUSWKSGETOKLRI-OAHLLOKOSA-N 0 0 321.376 4.116 50 0 DIAARN O=C(CCc1ccc(Cl)s1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000071818794 563460923 /nfs/dbraw/zinc/46/09/23/563460923.db2.gz FXPRTHILCYRFBX-CYBMUJFWSA-N 0 0 308.834 4.026 50 0 DIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccccc1 ZINC000097938604 563460969 /nfs/dbraw/zinc/46/09/69/563460969.db2.gz SWHSCTQAPJUCBK-UHFFFAOYSA-N 0 0 309.756 4.049 50 0 DIAARN CCCCSCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000002933525 563461292 /nfs/dbraw/zinc/46/12/92/563461292.db2.gz XUHFHXIHUITXQU-UHFFFAOYSA-N 0 0 300.855 4.385 50 0 DIAARN COc1cccc(NC(=O)NCCCSC2CCCCC2)c1 ZINC000002933515 563461408 /nfs/dbraw/zinc/46/14/08/563461408.db2.gz QYAHVKRROIGYKL-UHFFFAOYSA-N 0 0 322.474 4.273 50 0 DIAARN O=C(NCCCSc1ccccc1)c1ccc(Cl)s1 ZINC000033000468 563461624 /nfs/dbraw/zinc/46/16/24/563461624.db2.gz ZHKGVKMERLTZJM-UHFFFAOYSA-N 0 0 311.859 4.314 50 0 DIAARN Cc1sc2[nH]c(-c3cccnc3)nc(=O)c2c1-c1ccccc1 ZINC000013597916 563466551 /nfs/dbraw/zinc/46/65/51/563466551.db2.gz DWSZFPQPFNDSKK-UHFFFAOYSA-N 0 0 319.389 4.022 50 0 DIAARN COc1cccc2cc(C(=O)Nc3cccc4ncccc43)oc21 ZINC000013693130 563469052 /nfs/dbraw/zinc/46/90/52/563469052.db2.gz HUIYQIBGEKBZMH-UHFFFAOYSA-N 0 0 318.332 4.242 50 0 DIAARN Cc1ccc2cccc(NC(=O)N(C)[C@@H](C)c3ccccn3)c2n1 ZINC000071907969 563469194 /nfs/dbraw/zinc/46/91/94/563469194.db2.gz YSWMYTWXJORWKQ-AWEZNQCLSA-N 0 0 320.396 4.163 50 0 DIAARN CCc1ccc([C@@H]2NCc3c(OC)cccc3-n3cccc32)cc1 ZINC000053107467 563469969 /nfs/dbraw/zinc/46/99/69/563469969.db2.gz LOKRTCCBPKXYIZ-NRFANRHFSA-N 0 0 318.420 4.241 50 0 DIAARN Cc1ccnc(C[C@H](C)N(C)Cc2c(Cl)cncc2Cl)c1 ZINC000055054166 563470927 /nfs/dbraw/zinc/47/09/27/563470927.db2.gz WNSOKWVWDRRFBN-LBPRGKRZSA-N 0 0 324.255 4.155 50 0 DIAARN CC[C@H](C)N(Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000055195493 563472515 /nfs/dbraw/zinc/47/25/15/563472515.db2.gz PVKSQDJZBKWPCL-ZDUSSCGKSA-N 0 0 307.821 4.226 50 0 DIAARN CCCN(C/C=C/c1ccccc1)C(=O)c1ccc(F)c(O)c1 ZINC000055211991 563472980 /nfs/dbraw/zinc/47/29/80/563472980.db2.gz KNXWENAINYNUGP-RMKNXTFCSA-N 0 0 313.372 4.097 50 0 DIAARN O=C([C@H]1CC=CCC1)N(Cc1nccs1)Cc1ccccc1 ZINC000055244344 563473058 /nfs/dbraw/zinc/47/30/58/563473058.db2.gz NSKVQCBWVGMOID-INIZCTEOSA-N 0 0 312.438 4.028 50 0 DIAARN COC1CCC(C(=O)N(Cc2ccccc2Cl)C(C)C)CC1 ZINC000055413293 563475531 /nfs/dbraw/zinc/47/55/31/563475531.db2.gz VKRYAPVVMXUSSG-UHFFFAOYSA-N 0 0 323.864 4.282 50 0 DIAARN Cc1ccsc1CN(Cc1nccs1)Cc1ccccn1 ZINC000055568638 563476606 /nfs/dbraw/zinc/47/66/06/563476606.db2.gz AJLMACSMQHOTHN-UHFFFAOYSA-N 0 0 315.467 4.110 50 0 DIAARN C[C@H](N[C@@H](C)c1ccncc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000095427058 563477767 /nfs/dbraw/zinc/47/77/67/563477767.db2.gz ZTAAURZINKAKGE-QWRGUYRKSA-N 0 0 300.793 4.023 50 0 DIAARN Cc1ccc(NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000058333216 563478757 /nfs/dbraw/zinc/47/87/57/563478757.db2.gz UTFMRTJITOYYIM-UHFFFAOYSA-N 0 0 323.440 4.412 50 0 DIAARN CCOc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000059059086 563479502 /nfs/dbraw/zinc/47/95/02/563479502.db2.gz WNMLOKVTHQJJEY-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1CSc2ccccc21 ZINC000175870948 563479583 /nfs/dbraw/zinc/47/95/83/563479583.db2.gz YULPRQGYRBARDW-CQSZACIVSA-N 0 0 322.389 4.170 50 0 DIAARN Cc1cc(NC(=O)NC(c2cccs2)c2cccs2)on1 ZINC000096415122 563480834 /nfs/dbraw/zinc/48/08/34/563480834.db2.gz DYKCESMQRGHINN-UHFFFAOYSA-N 0 0 319.411 4.017 50 0 DIAARN C[C@H](SCC(=O)Nc1ccsc1)c1nc2ccccc2[nH]1 ZINC000096425200 563481317 /nfs/dbraw/zinc/48/13/17/563481317.db2.gz ORIKXKDXHBVVLW-JTQLQIEISA-N 0 0 317.439 4.057 50 0 DIAARN Cc1ccc2c(c1)OCCC[C@H]2NCc1csc(C2CC2)n1 ZINC000096477489 563484377 /nfs/dbraw/zinc/48/43/77/563484377.db2.gz SALIYRKNOREADY-MRXNPFEDSA-N 0 0 314.454 4.332 50 0 DIAARN CN(Cc1cnoc1-c1ccc(Cl)cc1)Cc1nccs1 ZINC000096501493 563484998 /nfs/dbraw/zinc/48/49/98/563484998.db2.gz VZOAVROVBBAYHD-UHFFFAOYSA-N 0 0 319.817 4.084 50 0 DIAARN CCN(CCOc1ccccc1C)C(=O)c1cc2ccccc2o1 ZINC000063848830 563485656 /nfs/dbraw/zinc/48/56/56/563485656.db2.gz CYSDOIXNOCAOIL-UHFFFAOYSA-N 0 0 323.392 4.282 50 0 DIAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000064985106 563486677 /nfs/dbraw/zinc/48/66/77/563486677.db2.gz ZQWZEAGQIUYJGZ-MRXNPFEDSA-N 0 0 313.401 4.475 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000064984685 563486809 /nfs/dbraw/zinc/48/68/09/563486809.db2.gz LWJXEDLZILABDW-INIZCTEOSA-N 0 0 313.401 4.475 50 0 DIAARN CC(=O)c1sc2nc(CC(C)C)cc(C(F)(F)F)c2c1N ZINC000067630144 563487586 /nfs/dbraw/zinc/48/75/86/563487586.db2.gz AZTQPHLCIUFDFF-UHFFFAOYSA-N 0 0 316.348 4.298 50 0 DIAARN CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(F)cc1Cl ZINC000067563347 563487754 /nfs/dbraw/zinc/48/77/54/563487754.db2.gz FDXSEFHKNIZJMN-OAHLLOKOSA-N 0 0 306.768 4.097 50 0 DIAARN C[C@@H](c1ccncc1)N(C)Cc1csc(-c2ccccc2)n1 ZINC000067982463 563495031 /nfs/dbraw/zinc/49/50/31/563495031.db2.gz XWYLOGQOEQYVQY-AWEZNQCLSA-N 0 0 309.438 4.398 50 0 DIAARN O=C1CCCCC[C@@H]1Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000028188250 563495082 /nfs/dbraw/zinc/49/50/82/563495082.db2.gz WJIJXKFAVLPWSL-ZDUSSCGKSA-N 0 0 321.833 4.119 50 0 DIAARN COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2C1CCCC1 ZINC000071280344 563498174 /nfs/dbraw/zinc/49/81/74/563498174.db2.gz WNQRRBLCYWZGQI-CQSZACIVSA-N 0 0 311.385 4.130 50 0 DIAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1 ZINC000071279784 563498222 /nfs/dbraw/zinc/49/82/22/563498222.db2.gz AWWAZARRTOPKBH-CYBMUJFWSA-N 0 0 301.415 4.310 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000004688534 563499778 /nfs/dbraw/zinc/49/97/78/563499778.db2.gz BWOUAZDBKUTKQQ-UHFFFAOYSA-N 0 0 324.424 4.003 50 0 DIAARN Cc1ccc(F)cc1Cn1ccnc1[C@@H]1CCOC(C)(C)C1 ZINC000071479654 563499962 /nfs/dbraw/zinc/49/99/62/563499962.db2.gz VZZCIKSMUVAMSE-CQSZACIVSA-N 0 0 302.393 4.052 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)NCc3ccccc3Cl)c2c1 ZINC000033252824 563501798 /nfs/dbraw/zinc/50/17/98/563501798.db2.gz FSUGOVDTDIWZQS-UHFFFAOYSA-N 0 0 324.811 4.435 50 0 DIAARN C[C@@H](c1ccccc1-n1cccn1)n1ccnc1-c1ccsc1 ZINC000072149841 563502633 /nfs/dbraw/zinc/50/26/33/563502633.db2.gz GMHAQCAUOOYDLK-AWEZNQCLSA-N 0 0 320.421 4.407 50 0 DIAARN C[C@H](c1ccccc1-n1cccn1)n1ccnc1-c1ccsc1 ZINC000072149842 563502668 /nfs/dbraw/zinc/50/26/68/563502668.db2.gz GMHAQCAUOOYDLK-CQSZACIVSA-N 0 0 320.421 4.407 50 0 DIAARN O=C(CSc1cnccn1)c1ccc2c(c1)-c1ccccc1C2 ZINC000074789446 563504150 /nfs/dbraw/zinc/50/41/50/563504150.db2.gz BDLFCJHRRAVRMI-UHFFFAOYSA-N 0 0 318.401 4.023 50 0 DIAARN CCc1nc([C@H](C)NCc2ncc(-c3ccccc3)o2)cs1 ZINC000097112251 563505975 /nfs/dbraw/zinc/50/59/75/563505975.db2.gz UVMBSCLTCSWASK-LBPRGKRZSA-N 0 0 313.426 4.211 50 0 DIAARN C[C@@H](CNC(=O)Nc1cccc(C(F)F)c1)c1nccs1 ZINC000097113212 563506053 /nfs/dbraw/zinc/50/60/53/563506053.db2.gz JZFHKXCLYFVUAQ-VIFPVBQESA-N 0 0 311.357 4.006 50 0 DIAARN Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl ZINC000000034582 563506357 /nfs/dbraw/zinc/50/63/57/563506357.db2.gz VXDNJGCGUCMVCS-UHFFFAOYSA-N 0 0 316.813 4.380 50 0 DIAARN Cc1ccc2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1 ZINC000000042154 563508984 /nfs/dbraw/zinc/50/89/84/563508984.db2.gz BPPQHFRCYWDKES-UHFFFAOYSA-N 0 0 305.255 4.182 50 0 DIAARN CCc1cc(C(=O)N(C)Cc2cccc3ncccc23)cs1 ZINC000077337801 563509237 /nfs/dbraw/zinc/50/92/37/563509237.db2.gz INDLIJIAMJACGO-UHFFFAOYSA-N 0 0 310.422 4.131 50 0 DIAARN CN(Cc1cccc2ncccc12)C(=O)CCCc1cccs1 ZINC000077394203 563509881 /nfs/dbraw/zinc/50/98/81/563509881.db2.gz DLNCAULTRKJCHH-UHFFFAOYSA-N 0 0 324.449 4.278 50 0 DIAARN CCc1cccc(NC(=O)N2CCCC[C@@H]2CCCOC)c1 ZINC000077454944 563510624 /nfs/dbraw/zinc/51/06/24/563510624.db2.gz VJNFHDNEDDZKDO-QGZVFWFLSA-N 0 0 304.434 4.062 50 0 DIAARN COc1cccc([C@@H]2CCCN2C(=O)CCc2cccs2)c1 ZINC000077454273 563510735 /nfs/dbraw/zinc/51/07/35/563510735.db2.gz ZHYMWGQAXNTBES-KRWDZBQOSA-N 0 0 315.438 4.053 50 0 DIAARN Clc1cccc(-c2nccn2CC[C@@H]2CCOC2)c1Cl ZINC000077440461 563511267 /nfs/dbraw/zinc/51/12/67/563511267.db2.gz JDSBKCDRHLKQAJ-LLVKDONJSA-N 0 0 311.212 4.284 50 0 DIAARN Cn1c(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc2ccccc21 ZINC000077506160 563511623 /nfs/dbraw/zinc/51/16/23/563511623.db2.gz AWGRQSZPIHCJSZ-SFHVURJKSA-N 0 0 322.383 4.295 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000077505304 563511809 /nfs/dbraw/zinc/51/18/09/563511809.db2.gz QTNKXGBBFKEIDT-KGLIPLIRSA-N 0 0 313.372 4.309 50 0 DIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1Cl ZINC000000048798 563512451 /nfs/dbraw/zinc/51/24/51/563512451.db2.gz SGDSXQHGEBFRLT-UHFFFAOYSA-N 0 0 323.801 4.057 50 0 DIAARN Clc1ccccc1-c1noc(-c2c[nH]nc2-c2ccccc2)n1 ZINC000023125432 563513879 /nfs/dbraw/zinc/51/38/79/563513879.db2.gz SWVZUITZXKXWTK-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN Cc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)o1 ZINC000000055329 563515348 /nfs/dbraw/zinc/51/53/48/563515348.db2.gz BQLGUIBJERZQNE-WJDWOHSUSA-N 0 0 309.365 4.230 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000033282208 563518385 /nfs/dbraw/zinc/51/83/85/563518385.db2.gz MPSZVKMGGRZQIV-UHFFFAOYSA-N 0 0 322.795 4.332 50 0 DIAARN COc1ccc2c(Cl)c(C(=O)n3nc(C)cc3C)sc2c1 ZINC000000103760 563520381 /nfs/dbraw/zinc/52/03/81/563520381.db2.gz RLVZLLDTGOEPRB-UHFFFAOYSA-N 0 0 320.801 4.065 50 0 DIAARN Cc1nc(-c2cc3cc(C)ccc3nc2N2CCC(C)CC2)no1 ZINC000033318182 563520592 /nfs/dbraw/zinc/52/05/92/563520592.db2.gz BVLPWMFWNGJINN-UHFFFAOYSA-N 0 0 322.412 4.138 50 0 DIAARN CSc1ccccc1C(=O)NCc1ccc(-c2ccoc2)o1 ZINC000585148043 563521786 /nfs/dbraw/zinc/52/17/86/563521786.db2.gz MSPIJNHCCPKSPU-UHFFFAOYSA-N 0 0 313.378 4.192 50 0 DIAARN Cc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)s1 ZINC000066413319 563524687 /nfs/dbraw/zinc/52/46/87/563524687.db2.gz XUEGKKYATSYWMB-UHFFFAOYSA-N 0 0 315.423 4.136 50 0 DIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(SC)c1 ZINC000008048898 563525006 /nfs/dbraw/zinc/52/50/06/563525006.db2.gz MDAMRMLVNBMNSD-HNNXBMFYSA-N 0 0 319.401 4.344 50 0 DIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C)c(F)c1)C2 ZINC000011428815 563526462 /nfs/dbraw/zinc/52/64/62/563526462.db2.gz PVLBMOJGZZHROG-MRXNPFEDSA-N 0 0 301.386 4.098 50 0 DIAARN CC1(C)CN2C(=S)N(c3ccccc3)[C@H](c3ccccc3)N2C1 ZINC000000094518 563528317 /nfs/dbraw/zinc/52/83/17/563528317.db2.gz QDRVEILXRSWJSO-QGZVFWFLSA-N 0 0 323.465 4.049 50 0 DIAARN Fc1cc(Br)ccc1OC(Cl)(Cl)Cl ZINC000095215574 563529110 /nfs/dbraw/zinc/52/91/10/563529110.db2.gz LZNPRKCRLCWTHI-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN COc1ccc(OC)c(C(=O)Nc2ccc3sccc3c2)c1 ZINC000013972453 563530592 /nfs/dbraw/zinc/53/05/92/563530592.db2.gz YFJAMRCAGMJGGT-UHFFFAOYSA-N 0 0 313.378 4.171 50 0 DIAARN Cc1cncc2c(Br)ccc(Br)c12 ZINC000096029616 563532290 /nfs/dbraw/zinc/53/22/90/563532290.db2.gz FZLBUBKJGZMBBR-UHFFFAOYSA-N 0 0 300.981 4.068 50 0 DIAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccco3)cc2c1C ZINC000096152205 563534914 /nfs/dbraw/zinc/53/49/14/563534914.db2.gz OXQADGDUFDRSQE-KRWDZBQOSA-N 0 0 308.381 4.355 50 0 DIAARN Fc1ccc(-c2cccc(-c3nc([C@@H]4CCOC4)no3)c2)cc1 ZINC000096162109 563534952 /nfs/dbraw/zinc/53/49/52/563534952.db2.gz UZCIQHQGOXQGFE-OAHLLOKOSA-N 0 0 310.328 4.047 50 0 DIAARN CN(C)C(=O)Nc1ccc(-c2ccc(-c3cnco3)cc2)cc1 ZINC000096180000 563535680 /nfs/dbraw/zinc/53/56/80/563535680.db2.gz KIYITVIQDWMBGQ-UHFFFAOYSA-N 0 0 307.353 4.102 50 0 DIAARN CCCSc1ccccc1NC(=O)N(CC)C1CCOCC1 ZINC000096179924 563535729 /nfs/dbraw/zinc/53/57/29/563535729.db2.gz AUSNEKSPCHXITM-UHFFFAOYSA-N 0 0 322.474 4.222 50 0 DIAARN CC(C)n1cc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000097179326 563537939 /nfs/dbraw/zinc/53/79/39/563537939.db2.gz BDDKKOCDQPIREV-GOSISDBHSA-N 0 0 323.444 4.068 50 0 DIAARN Fc1ccc(-c2ccc(C[NH+]3CCCCC3)cn2)c2ncccc12 ZINC000097394134 563539536 /nfs/dbraw/zinc/53/95/36/563539536.db2.gz NGUBJKJVLVMZGF-UHFFFAOYSA-N 0 0 321.399 4.422 50 0 DIAARN CCCC[C@@H](Nc1nccc(-c2ccccn2)n1)c1cccnc1 ZINC000097527940 563540133 /nfs/dbraw/zinc/54/01/33/563540133.db2.gz JIBMVAOWQFJUOZ-MRXNPFEDSA-N 0 0 319.412 4.277 50 0 DIAARN Cc1ccc(-c2cccc(CN3CCC[C@H]3c3nnc(C)[nH]3)c2)o1 ZINC000097578625 563540188 /nfs/dbraw/zinc/54/01/88/563540188.db2.gz LZJURDKOOSNUCH-KRWDZBQOSA-N 0 0 322.412 4.019 50 0 DIAARN Cc1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3[nH]2)cnc1C ZINC000097743142 563541669 /nfs/dbraw/zinc/54/16/69/563541669.db2.gz AFRNUDOESBMWCT-AWEZNQCLSA-N 0 0 307.397 4.013 50 0 DIAARN CCOC(=O)c1sc(-c2ccccc2N)nc1-c1ccccc1 ZINC000098071533 563544058 /nfs/dbraw/zinc/54/40/58/563544058.db2.gz GWCRVJVKGXRRNI-UHFFFAOYSA-N 0 0 324.405 4.236 50 0 DIAARN CC1(C)CCCC2=C1C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1C2 ZINC000100469327 563550874 /nfs/dbraw/zinc/55/08/74/563550874.db2.gz HUIBWWOGCNJTFS-HZPDHXFCSA-N 0 0 309.409 4.093 50 0 biogenic DIAARN C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100586309 563551883 /nfs/dbraw/zinc/55/18/83/563551883.db2.gz YCHLCDGXVTXOQJ-WBMJQRKESA-N 0 0 313.784 4.023 50 0 DIAARN O=C1Nc2ccccc2[C@H]1Cc1ccccc1OC1CCCC1 ZINC000101014602 563555569 /nfs/dbraw/zinc/55/55/69/563555569.db2.gz WKVHQPYXWUBMFA-QGZVFWFLSA-N 0 0 307.393 4.286 50 0 DIAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccc(C(F)(F)F)cc1 ZINC000101016541 563555717 /nfs/dbraw/zinc/55/57/17/563555717.db2.gz AELPCIOMFXDZQK-CQSZACIVSA-N 0 0 305.299 4.292 50 0 DIAARN CC1=C(C)C[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 ZINC000101725393 563558179 /nfs/dbraw/zinc/55/81/79/563558179.db2.gz LMVSIZHBCAPPIQ-OKILXGFUSA-N 0 0 324.207 4.229 50 0 DIAARN CCCCc1ccc2nc(NC(=O)c3ccccn3)sc2c1 ZINC000014379503 563566968 /nfs/dbraw/zinc/56/69/68/563566968.db2.gz KEROAJRREHMYGQ-UHFFFAOYSA-N 0 0 311.410 4.286 50 0 DIAARN Cc1cc(Nc2ccccc2C)n2nc(-c3ccccc3)nc2n1 ZINC000014610245 563568303 /nfs/dbraw/zinc/56/83/03/563568303.db2.gz CYKCRJZLRHPQPF-UHFFFAOYSA-N 0 0 315.380 4.152 50 0 DIAARN CCCN(CCC)c1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000014610255 563568452 /nfs/dbraw/zinc/56/84/52/563568452.db2.gz MBKRZMWIROJEIK-UHFFFAOYSA-N 0 0 323.444 4.035 50 0 DIAARN CCCc1nn(-c2ccccc2F)c2c1C(=O)CC(C)(C)C2 ZINC000000107106 563570314 /nfs/dbraw/zinc/57/03/14/563570314.db2.gz UEJLXWHHFUUQHB-UHFFFAOYSA-N 0 0 300.377 4.119 50 0 DIAARN Cc1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1 ZINC000000113825 563571036 /nfs/dbraw/zinc/57/10/36/563571036.db2.gz HIRIGLBMSCONKR-PTNGSMBKSA-N 0 0 316.198 4.370 50 0 DIAARN CN(c1ncnc2ccc(Br)cc21)C1CCCCC1 ZINC000000140142 563572618 /nfs/dbraw/zinc/57/26/18/563572618.db2.gz GEBCHLLLTHNTSB-UHFFFAOYSA-N 0 0 320.234 4.161 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Oc2ccccc2Cl)c1C ZINC000000148538 563573264 /nfs/dbraw/zinc/57/32/64/563573264.db2.gz QCYAXZCMGIUBOV-UHFFFAOYSA-N 0 0 304.773 4.250 50 0 DIAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC ZINC000000149459 563573384 /nfs/dbraw/zinc/57/33/84/563573384.db2.gz HDGQDPMPJCUEPP-UHFFFAOYSA-N 0 0 317.410 4.249 50 0 DIAARN O=C(Oc1ccccc1)Oc1cc2sc(=O)oc2cc1Cl ZINC000000175067 563574537 /nfs/dbraw/zinc/57/45/37/563574537.db2.gz IOSBJVBRARMHNS-UHFFFAOYSA-N 0 0 322.725 4.086 50 0 biogenic DIAARN CCOc1ccc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cc1 ZINC000000177185 563575245 /nfs/dbraw/zinc/57/52/45/563575245.db2.gz LZVVSMONVXFFJX-PDGQHHTCSA-N 0 0 321.376 4.047 50 0 DIAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccs1 ZINC000000176317 563575286 /nfs/dbraw/zinc/57/52/86/563575286.db2.gz NMQHOBRBQTXQLB-GHXNOFRVSA-N 0 0 324.188 4.399 50 0 DIAARN Cc1cccc(C(=O)Nc2nc3c(cc(F)cc3F)s2)c1 ZINC000000187224 563576150 /nfs/dbraw/zinc/57/61/50/563576150.db2.gz DDDJNMAJWYZFRQ-UHFFFAOYSA-N 0 0 304.321 4.135 50 0 DIAARN CC1=CC(C)(C)NC(=S)N1c1ccc(Cl)cc1Cl ZINC000000194838 563576598 /nfs/dbraw/zinc/57/65/98/563576598.db2.gz CFQKBFVKSKFIRK-UHFFFAOYSA-N 0 0 301.242 4.370 50 0 DIAARN CC(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000000200873 563578105 /nfs/dbraw/zinc/57/81/05/563578105.db2.gz OGSYXISLOVNMEG-HNNXBMFYSA-N 0 0 321.424 4.183 50 0 DIAARN CC[C@@]1(C)OC(=O)N2CCc3c(C)[nH]c4c3c(ccc4C)[C@]21C ZINC000000118023 563580505 /nfs/dbraw/zinc/58/05/05/563580505.db2.gz WDGAFIUVLUWDTP-MOPGFXCFSA-N 0 0 312.413 4.177 50 0 DIAARN Fc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000000240180 563580622 /nfs/dbraw/zinc/58/06/22/563580622.db2.gz RXLIFGJZADVLII-INIZCTEOSA-N 0 0 315.417 4.145 50 0 DIAARN CN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000000249226 563581654 /nfs/dbraw/zinc/58/16/54/563581654.db2.gz BAICPABIIXDQBX-UHFFFAOYSA-N 0 0 306.409 4.149 50 0 DIAARN COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000255908 563582401 /nfs/dbraw/zinc/58/24/01/563582401.db2.gz IHMXFFJUMJWKHB-FZKQIMNGSA-N 0 0 313.422 4.171 50 0 DIAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1 ZINC000000272107 563584172 /nfs/dbraw/zinc/58/41/72/563584172.db2.gz GCLLSWDNUPEMDW-UHFFFAOYSA-N 0 0 300.408 4.048 50 0 DIAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000000281551 563584638 /nfs/dbraw/zinc/58/46/38/563584638.db2.gz IMIGGDMARNWAEW-LBPRGKRZSA-N 0 0 305.830 4.137 50 0 DIAARN Clc1ccc(-c2nnc3sc(-c4ccccc4)nn32)cc1 ZINC000000284284 563584887 /nfs/dbraw/zinc/58/48/87/563584887.db2.gz LLMQBOYKIFBXMZ-UHFFFAOYSA-N 0 0 312.785 4.173 50 0 DIAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1ccccc1F ZINC000000296591 563585348 /nfs/dbraw/zinc/58/53/48/563585348.db2.gz XTDZWVGXTNTZHO-LDADJPATSA-N 0 0 317.319 4.323 50 0 DIAARN CCCn1c2ccccc2n2c1nc(C)c2C(=O)c1cccs1 ZINC000000305221 563586684 /nfs/dbraw/zinc/58/66/84/563586684.db2.gz WYTGLKPODLYHAW-UHFFFAOYSA-N 0 0 323.421 4.300 50 0 DIAARN CCOc1ccc(NC(=S)c2ccc3ccccc3n2)cc1 ZINC000000301767 563586768 /nfs/dbraw/zinc/58/67/68/563586768.db2.gz IASFJBXCNOUNBF-UHFFFAOYSA-N 0 0 308.406 4.421 50 0 DIAARN COc1ccc(NC(=O)c2oc3ccccc3c2C)c(OC)c1 ZINC000000302455 563586800 /nfs/dbraw/zinc/58/68/00/563586800.db2.gz IRTVXRMTMWIMEH-UHFFFAOYSA-N 0 0 311.337 4.011 50 0 DIAARN Cn1cccc1CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000000321324 563588476 /nfs/dbraw/zinc/58/84/76/563588476.db2.gz HXGQSGZHKXOFED-UHFFFAOYSA-N 0 0 323.223 4.137 50 0 DIAARN CCN1C(=S)N(c2ccccc2)N[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000000355369 563590182 /nfs/dbraw/zinc/59/01/82/563590182.db2.gz FKKAFWOXELDWEF-KBXCAEBGSA-N 0 0 317.502 4.161 50 0 DIAARN O=c1oc2ccccc2cc1-c1cn2c3ccccc3sc2n1 ZINC000000354183 563590279 /nfs/dbraw/zinc/59/02/79/563590279.db2.gz HSRAFAOEQXTADE-UHFFFAOYSA-N 0 0 318.357 4.322 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2O)c(C)c1 ZINC000000365081 563590638 /nfs/dbraw/zinc/59/06/38/563590638.db2.gz HVFPGYVVLVDISC-GFCCVEGCSA-N 0 0 319.788 4.068 50 0 DIAARN Cc1cccc2sc(NC(=O)[C@H](C)Oc3ccccc3)nc21 ZINC000000364295 563590748 /nfs/dbraw/zinc/59/07/48/563590748.db2.gz RBCNOBMGQHPNHZ-LBPRGKRZSA-N 0 0 312.394 4.011 50 0 DIAARN CN(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000000379975 563591241 /nfs/dbraw/zinc/59/12/41/563591241.db2.gz CNQAIZXAZZXNJB-UHFFFAOYSA-N 0 0 319.857 4.481 50 0 DIAARN CCCN(Cc1cc(-c2cccs2)on1)C(=O)c1ccco1 ZINC000036012064 563591905 /nfs/dbraw/zinc/59/19/05/563591905.db2.gz WTUANBNRGSCPOC-UHFFFAOYSA-N 0 0 316.382 4.049 50 0 DIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C\c1cccs1 ZINC000033456172 563592498 /nfs/dbraw/zinc/59/24/98/563592498.db2.gz MUSDVLUQTAVHHL-ZVTBTPLYSA-N 0 0 301.386 4.268 50 0 DIAARN Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 ZINC000033501220 563592708 /nfs/dbraw/zinc/59/27/08/563592708.db2.gz DLPUMYODRGZLDJ-UHFFFAOYSA-N 0 0 303.337 4.414 50 0 DIAARN O=c1oc(/C=C\c2ccco2)nc2sc3c(c21)CCCCC3 ZINC000033563413 563594698 /nfs/dbraw/zinc/59/46/98/563594698.db2.gz ZNNZGJIDTGVHNZ-HJWRWDBZSA-N 0 0 313.378 4.282 50 0 DIAARN O=C(Oc1ccc(/C=C/Br)cc1)c1ccccc1 ZINC000000387546 563594958 /nfs/dbraw/zinc/59/49/58/563594958.db2.gz NQXZAEQCKHRBRU-ZHACJKMWSA-N 0 0 303.155 4.271 50 0 DIAARN Cc1[nH]c2cc(-c3ccc(-c4ccccc4)cc3)nn2c(=O)c1C ZINC000100528668 563595104 /nfs/dbraw/zinc/59/51/04/563595104.db2.gz SXRLQBHDFCBJTH-UHFFFAOYSA-N 0 0 315.376 4.386 50 0 DIAARN COC(=O)c1cc(Nc2ccc(F)cc2)c2cccc(C)c2n1 ZINC000038487126 563598231 /nfs/dbraw/zinc/59/82/31/563598231.db2.gz NYELCNMYADJPFB-UHFFFAOYSA-N 0 0 310.328 4.213 50 0 DIAARN CCc1cc(C(=O)Cc2ccc3ccccc3n2)c(O)cc1O ZINC000100742243 563599900 /nfs/dbraw/zinc/59/99/00/563599900.db2.gz CSMLOQOMPLQKDF-VCHYOVAHSA-N 0 0 307.349 4.265 50 0 biogenic DIAARN O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1Cl ZINC000011914747 563601662 /nfs/dbraw/zinc/60/16/62/563601662.db2.gz LZCKTDFXSIKYBS-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)no2)cc1 ZINC000011916419 563601843 /nfs/dbraw/zinc/60/18/43/563601843.db2.gz YOEYMFMFMKQPHU-UHFFFAOYSA-N 0 0 307.349 4.486 50 0 DIAARN O=C(c1cccs1)N(Cc1ccc(F)cc1)c1ccccn1 ZINC000011914720 563601847 /nfs/dbraw/zinc/60/18/47/563601847.db2.gz BTEJCUMPBASMGH-UHFFFAOYSA-N 0 0 312.369 4.129 50 0 DIAARN Cc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 ZINC000011915801 563602257 /nfs/dbraw/zinc/60/22/57/563602257.db2.gz NBSIWLXJIAXXPJ-UHFFFAOYSA-N 0 0 320.367 4.376 50 0 DIAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Cl)s1)n2C ZINC000100811985 563603005 /nfs/dbraw/zinc/60/30/05/563603005.db2.gz MYEMEBUSBNYQHW-JQIJEIRASA-N 0 0 322.842 4.004 50 0 DIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000248245191 563603009 /nfs/dbraw/zinc/60/30/09/563603009.db2.gz LKYUAUFZPFYKFQ-OTWHNJEPSA-N 0 0 321.420 4.162 50 0 DIAARN CSc1nc2c(c(Nc3ccc(C)c(Cl)c3)n1)CCC2 ZINC000012016500 563603765 /nfs/dbraw/zinc/60/37/65/563603765.db2.gz KURSPOPIBVZPSK-UHFFFAOYSA-N 0 0 305.834 4.393 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000000146626 563606239 /nfs/dbraw/zinc/60/62/39/563606239.db2.gz LKGYDHJSMKOYMG-MRXNPFEDSA-N 0 0 303.814 4.427 50 0 DIAARN Nc1cc(-c2nc3ccccc3s2)ccc1Br ZINC000000235998 563607003 /nfs/dbraw/zinc/60/70/03/563607003.db2.gz PUQXJWIRERSLRD-UHFFFAOYSA-N 0 0 305.200 4.308 50 0 DIAARN COc1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000000272961 563607033 /nfs/dbraw/zinc/60/70/33/563607033.db2.gz MBENMTYKXDCWHA-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CC(C)c1nc(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)cs1 ZINC000252550679 563611026 /nfs/dbraw/zinc/61/10/26/563611026.db2.gz SXHPDTBWEXKWKM-ZFWWWQNUSA-N 0 0 306.475 4.451 50 0 DIAARN Oc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 ZINC000000411387 563611622 /nfs/dbraw/zinc/61/16/22/563611622.db2.gz KXIXEXLOARLYNM-UHFFFAOYSA-N 0 0 318.785 4.388 50 0 DIAARN O=C(c1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000000424226 563611886 /nfs/dbraw/zinc/61/18/86/563611886.db2.gz HBCSDGCFVQHFAP-UHFFFAOYSA-N 0 0 319.143 4.331 50 0 DIAARN CCSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 ZINC000000422653 563612056 /nfs/dbraw/zinc/61/20/56/563612056.db2.gz VAKWMHRUHBPDGY-UHFFFAOYSA-N 0 0 309.438 4.279 50 0 DIAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000000423884 563612069 /nfs/dbraw/zinc/61/20/69/563612069.db2.gz CTUUMCBMUQCFRH-MRXNPFEDSA-N 0 0 305.349 4.052 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1F ZINC000000423783 563612247 /nfs/dbraw/zinc/61/22/47/563612247.db2.gz QTJCMCPZSXFZRI-INIZCTEOSA-N 0 0 305.349 4.052 50 0 DIAARN O=C(NCCn1ccc2ccccc21)c1cccc2ccccc21 ZINC000000427840 563612710 /nfs/dbraw/zinc/61/27/10/563612710.db2.gz DHWVGHDFEAOZAX-UHFFFAOYSA-N 0 0 314.388 4.225 50 0 DIAARN Cc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1 ZINC000000427898 563612836 /nfs/dbraw/zinc/61/28/36/563612836.db2.gz NHJBOSGIKIIDLB-UHFFFAOYSA-N 0 0 312.800 4.033 50 0 DIAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425713 563613162 /nfs/dbraw/zinc/61/31/62/563613162.db2.gz RFJVRDWVGWPYAR-QMMMGPOBSA-N 0 0 313.184 4.177 50 0 DIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(F)cc2)c1 ZINC000000426363 563613393 /nfs/dbraw/zinc/61/33/93/563613393.db2.gz CTQVDIVACCDMGM-UHFFFAOYSA-N 0 0 319.343 4.007 50 0 DIAARN Cc1ccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)o1 ZINC000000430330 563613653 /nfs/dbraw/zinc/61/36/53/563613653.db2.gz HSVHWFVCUSUTEV-QPEQYQDCSA-N 0 0 322.147 4.239 50 0 DIAARN CSc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000000430970 563613786 /nfs/dbraw/zinc/61/37/86/563613786.db2.gz RPWMOLZPPDPKHZ-AAMUTCKCSA-N 0 0 321.401 4.418 50 0 DIAARN Cc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)o1 ZINC000000431033 563614306 /nfs/dbraw/zinc/61/43/06/563614306.db2.gz JBORAKUIWHKMFB-KPKJPENVSA-N 0 0 322.147 4.239 50 0 DIAARN CCOC(=O)c1sc2c(ccc(OC)c2Cl)c1Cl ZINC000000438817 563614638 /nfs/dbraw/zinc/61/46/38/563614638.db2.gz XWHZJHFAVVUDAJ-UHFFFAOYSA-N 0 0 305.182 4.393 50 0 DIAARN c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000000443463 563615063 /nfs/dbraw/zinc/61/50/63/563615063.db2.gz DGKRYRJIDZQVNY-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN COc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 ZINC000000352024 563616106 /nfs/dbraw/zinc/61/61/06/563616106.db2.gz YUIGJLUMQINGME-UHFFFAOYSA-N 0 0 318.785 4.211 50 0 DIAARN Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl ZINC000000347662 563616118 /nfs/dbraw/zinc/61/61/18/563616118.db2.gz QHBKWURTWWDGSD-UHFFFAOYSA-N 0 0 305.164 4.001 50 0 DIAARN Cc1ccc2scc(N3CCc4ccccc4C3)c(=O)c2c1 ZINC000005202422 563616661 /nfs/dbraw/zinc/61/66/61/563616661.db2.gz IWARPMQCUGEJAR-UHFFFAOYSA-N 0 0 307.418 4.133 50 0 DIAARN CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000453825 563616843 /nfs/dbraw/zinc/61/68/43/563616843.db2.gz HXSNKRPMKUEKKO-BUHFOSPRSA-N 0 0 318.376 4.116 50 0 DIAARN CC(C)c1nc(CSc2ncn(-c3ccccc3)n2)cs1 ZINC000075875245 563617245 /nfs/dbraw/zinc/61/72/45/563617245.db2.gz KSLYXXNMPWVXQQ-UHFFFAOYSA-N 0 0 316.455 4.140 50 0 DIAARN Cc1sc2ncn3c(n[nH]c3=S)c2c1-c1ccc(F)cc1 ZINC000001093149 563619771 /nfs/dbraw/zinc/61/97/71/563619771.db2.gz RYFASWGYJYBDQM-UHFFFAOYSA-N 0 0 316.386 4.116 50 0 DIAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000001509371 563620928 /nfs/dbraw/zinc/62/09/28/563620928.db2.gz OPRHESKIPAPJLK-UHFFFAOYSA-N 0 0 322.389 4.265 50 0 DIAARN C[C@H](NC(=O)c1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000008062427 563621484 /nfs/dbraw/zinc/62/14/84/563621484.db2.gz DOLQSZNSXHTHEX-JTQLQIEISA-N 0 0 301.292 4.202 50 0 DIAARN CCC(=O)N1CCO[C@H]1C(C)(C)C=C=C(C)CCC=C(C)C ZINC000003127906 563622118 /nfs/dbraw/zinc/62/21/18/563622118.db2.gz FOTVAGTUCCEUNZ-MCEAHNFKSA-N 0 0 305.462 4.455 50 0 biogenic DIAARN CCN1c2ccc(NC(=O)C3CCCCC3)c3cccc(c23)C1=O ZINC000003166179 563622422 /nfs/dbraw/zinc/62/24/22/563622422.db2.gz DAEWAKHRKCQMAT-UHFFFAOYSA-N 0 0 322.408 4.339 50 0 DIAARN CCC(CC)c1cc(C(=O)N2CCC[C@@H]2C2CCCC2)on1 ZINC000152025256 563622964 /nfs/dbraw/zinc/62/29/64/563622964.db2.gz CTFQYAPRDJCRFZ-MRXNPFEDSA-N 0 0 304.434 4.373 50 0 DIAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccs1 ZINC000000473889 563624164 /nfs/dbraw/zinc/62/41/64/563624164.db2.gz UAFIJNYVDKTPEV-UHFFFAOYSA-N 0 0 322.361 4.402 50 0 DIAARN C[C@H](Cc1ccoc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000206662707 563624167 /nfs/dbraw/zinc/62/41/67/563624167.db2.gz QNRJFEWIZMVRCV-OAHLLOKOSA-N 0 0 305.377 4.308 50 0 DIAARN O=C(/C=C/c1ccco1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206669384 563624250 /nfs/dbraw/zinc/62/42/50/563624250.db2.gz OBGXWUHZPYNBFN-SIFUEBAJSA-N 0 0 313.372 4.228 50 0 DIAARN CC(C)[C@@H](C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000017357427 563627231 /nfs/dbraw/zinc/62/72/31/563627231.db2.gz YKJYVZAMVLPTPW-GOSISDBHSA-N 0 0 315.844 4.439 50 0 DIAARN CN(C)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000017360964 563627339 /nfs/dbraw/zinc/62/73/39/563627339.db2.gz BHZFTTKEANGBBU-UHFFFAOYSA-N 0 0 312.413 4.008 50 0 DIAARN CN(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000101106 563627765 /nfs/dbraw/zinc/62/77/65/563627765.db2.gz CFGJXJSRSXUEHG-UHFFFAOYSA-N 0 0 311.425 4.022 50 0 DIAARN COc1ccc(C=O)cc1CSc1nc2ccccc2s1 ZINC000000037142 563628277 /nfs/dbraw/zinc/62/82/77/563628277.db2.gz FQXPCUSCIXPYMA-UHFFFAOYSA-N 0 0 315.419 4.410 50 0 DIAARN Nc1ccccc1SCc1cc(Cl)cc2c1OCOC2 ZINC000000138106 563628332 /nfs/dbraw/zinc/62/83/32/563628332.db2.gz AZADNLUYPRNATB-UHFFFAOYSA-N 0 0 307.802 4.081 50 0 DIAARN CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000360006 563629786 /nfs/dbraw/zinc/62/97/86/563629786.db2.gz YFUHIBVZUIJZMO-UHFFFAOYSA-N 0 0 322.364 4.280 50 0 aggregator DIAARN Cc1ccc(C)c(NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000000571017 563631256 /nfs/dbraw/zinc/63/12/56/563631256.db2.gz WKOZWCHNZDZARN-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN Cc1nc2ccc(C(=O)N3CC[C@H](c4ccccc4)C3)cc2s1 ZINC000000618600 563631791 /nfs/dbraw/zinc/63/17/91/563631791.db2.gz QOGBSPLRISFSFR-INIZCTEOSA-N 0 0 322.433 4.234 50 0 DIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccccc1 ZINC000001218010 563633503 /nfs/dbraw/zinc/63/35/03/563633503.db2.gz PMAWSWNAMWQESZ-UHFFFAOYSA-N 0 0 317.410 4.048 50 0 DIAARN Cc1ccc2cc(CNc3cccc(C[S@@](C)=O)c3)ccc2n1 ZINC000189396837 563638496 /nfs/dbraw/zinc/63/84/96/563638496.db2.gz LZKJJVBEORMEMB-HSZRJFAPSA-N 0 0 324.449 4.034 50 0 DIAARN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(Cl)c23)CO1 ZINC000000521535 563664008 /nfs/dbraw/zinc/66/40/08/563664008.db2.gz CRJRZKFOXLSJOQ-ZDUSSCGKSA-N 0 0 314.863 4.308 50 0 DIAARN O=C1S/C(=C\c2cccs2)C(=O)N1CCc1ccccc1 ZINC000010537908 563649155 /nfs/dbraw/zinc/64/91/55/563649155.db2.gz GNOJSQANIAJGQN-KAMYIIQDSA-N 0 0 315.419 4.027 50 0 DIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Cl)cc1)C2 ZINC000011326560 563650006 /nfs/dbraw/zinc/65/00/06/563650006.db2.gz LERNLNQTMZWSGO-OAHLLOKOSA-N 0 0 303.814 4.304 50 0 DIAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1F ZINC000011428744 563650010 /nfs/dbraw/zinc/65/00/10/563650010.db2.gz IHFIUAPAOIBBTR-UHFFFAOYSA-N 0 0 324.355 4.360 50 0 DIAARN Cc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000101329206 563655010 /nfs/dbraw/zinc/65/50/10/563655010.db2.gz BCMCFVSLWAPEAD-KRWDZBQOSA-N 0 0 322.799 4.296 50 0 DIAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccncc3)C12 ZINC000101815046 563657325 /nfs/dbraw/zinc/65/73/25/563657325.db2.gz GMQVAEPBORNVRN-SFHVURJKSA-N 0 0 316.364 4.103 50 0 DIAARN Cc1csc(C2=C(N)N([C@H](C)CCCC(C)C)CC2=O)n1 ZINC000102043842 563657615 /nfs/dbraw/zinc/65/76/15/563657615.db2.gz FANMQQTYMKMYBL-GFCCVEGCSA-N 0 0 307.463 4.228 50 0 DIAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3C)C2)cc1C ZINC000102047973 563658184 /nfs/dbraw/zinc/65/81/84/563658184.db2.gz SVFDEFFEAWDFON-LJQANCHMSA-N 0 0 316.408 4.259 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000514076 563661221 /nfs/dbraw/zinc/66/12/21/563661221.db2.gz XXTKNDZOUKYGQZ-UXBLZVDNSA-N 0 0 301.773 4.309 50 0 DIAARN Cc1nc(C2=C(N)N(c3cccc(Cl)c3)CC2=O)sc1C ZINC000102726463 563661516 /nfs/dbraw/zinc/66/15/16/563661516.db2.gz VORQTXTUYOQHBN-UHFFFAOYSA-N 0 0 319.817 4.180 50 0 DIAARN O=c1cc(-c2cccs2)oc2ccc(Br)cc12 ZINC000000521086 563664126 /nfs/dbraw/zinc/66/41/26/563664126.db2.gz DFZPACGNTUDSSQ-UHFFFAOYSA-N 0 0 307.168 4.284 50 0 DIAARN Cc1ccc(O)c([C@@H](CC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000000523748 563664638 /nfs/dbraw/zinc/66/46/38/563664638.db2.gz UTEJXRRDXFTVNU-SFHVURJKSA-N 0 0 323.436 4.235 50 0 DIAARN c1ccc(-c2nc3ccccc3c(NC3CCCCC3)n2)nc1 ZINC000000526948 563664846 /nfs/dbraw/zinc/66/48/46/563664846.db2.gz NJJYINWZAAPHSP-UHFFFAOYSA-N 0 0 304.397 4.436 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1c1cccnc1 ZINC000000526129 563664857 /nfs/dbraw/zinc/66/48/57/563664857.db2.gz WMFUXKHRHUOOFY-INIZCTEOSA-N 0 0 315.804 4.494 50 0 biogenic DIAARN Cc1c2ccccc2oc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000014141074 563665237 /nfs/dbraw/zinc/66/52/37/563665237.db2.gz OCAPGHAICWVAEU-UHFFFAOYSA-N 0 0 318.376 4.195 50 0 DIAARN CC[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000000533079 563666698 /nfs/dbraw/zinc/66/66/98/563666698.db2.gz FUJSBTHLHHHCRT-MRXNPFEDSA-N 0 0 318.424 4.461 50 0 DIAARN CC(C)CCn1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000000543522 563668710 /nfs/dbraw/zinc/66/87/10/563668710.db2.gz LHCXLRGNQJNONO-UHFFFAOYSA-N 0 0 306.369 4.286 50 0 DIAARN Cc1nc(NCC(=O)c2c(C)[nH]c3cc(C)ccc32)sc1C ZINC000000544337 563668944 /nfs/dbraw/zinc/66/89/44/563668944.db2.gz MJCQEJYXJVXRMK-UHFFFAOYSA-N 0 0 313.426 4.153 50 0 DIAARN Cc1nc2ccccc2nc1CSc1ncccc1Cl ZINC000046722783 563669832 /nfs/dbraw/zinc/66/98/32/563669832.db2.gz DFZBRXMOQTVMKM-UHFFFAOYSA-N 0 0 301.802 4.279 50 0 DIAARN O=C(c1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000550178 563669885 /nfs/dbraw/zinc/66/98/85/563669885.db2.gz NLJFLYBTWAETHJ-UHFFFAOYSA-N 0 0 310.784 4.020 50 0 DIAARN CC1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000000559748 563670465 /nfs/dbraw/zinc/67/04/65/563670465.db2.gz LUCHMWNWHXFZLA-UHFFFAOYSA-N 0 0 312.388 4.314 50 0 DIAARN Cc1cc(C(=O)Nc2cccc3cccnc32)c2ccccc2n1 ZINC000014517943 563671454 /nfs/dbraw/zinc/67/14/54/563671454.db2.gz GYLBIHQAHHMGPY-UHFFFAOYSA-N 0 0 313.360 4.344 50 0 DIAARN Cc1csc(N(C(=O)c2c(C)noc2C)c2ccccc2)n1 ZINC000014586624 563671511 /nfs/dbraw/zinc/67/15/11/563671511.db2.gz YUAWGLALDUTFDW-UHFFFAOYSA-N 0 0 313.382 4.035 50 0 DIAARN CSc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1 ZINC000000567930 563671532 /nfs/dbraw/zinc/67/15/32/563671532.db2.gz NUSMFWOUCXFLPE-UHFFFAOYSA-N 0 0 314.435 4.199 50 0 DIAARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccccc1 ZINC000012180918 563681012 /nfs/dbraw/zinc/68/10/12/563681012.db2.gz DZIKYCKPDSTRGS-FBMGVBCBSA-N 0 0 316.813 4.117 50 0 DIAARN COc1ccccc1NC(=O)C1(c2cccs2)CCCC1 ZINC000012157865 563681122 /nfs/dbraw/zinc/68/11/22/563681122.db2.gz QEIBVYAGOQLJNS-UHFFFAOYSA-N 0 0 301.411 4.207 50 0 DIAARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)C1CCCCC1 ZINC000012180925 563681148 /nfs/dbraw/zinc/68/11/48/563681148.db2.gz TVASHAANGCUVCP-FBMGVBCBSA-N 0 0 322.861 4.384 50 0 DIAARN CN(C(=O)Nc1cccnc1)C1CCC(c2ccccc2)CC1 ZINC000047565411 563681742 /nfs/dbraw/zinc/68/17/42/563681742.db2.gz ZFVDJUJUUODAKE-UHFFFAOYSA-N 0 0 309.413 4.272 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)N([C@H](C)c2ccccn2)C2CC2)C1(C)C ZINC000107338106 563683349 /nfs/dbraw/zinc/68/33/49/563683349.db2.gz GBYASDUHXQUVPI-QGPMSJSTSA-N 0 0 312.457 4.372 50 0 DIAARN C[C@@H]1CCCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)C1 ZINC000044838699 563684820 /nfs/dbraw/zinc/68/48/20/563684820.db2.gz CCWHQMILQIZCTO-CQSZACIVSA-N 0 0 319.408 4.102 50 0 DIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccs1 ZINC000044869414 563684878 /nfs/dbraw/zinc/68/48/78/563684878.db2.gz AFCCGRRJCAHQML-SNVBAGLBSA-N 0 0 302.424 4.191 50 0 DIAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838689 563685072 /nfs/dbraw/zinc/68/50/72/563685072.db2.gz VPZGNICPHWXKPJ-CQSZACIVSA-N 0 0 319.408 4.245 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)n[nH]2)cc1 ZINC000044837883 563685180 /nfs/dbraw/zinc/68/51/80/563685180.db2.gz ZUCURJHOVRGYMN-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000044845101 563685621 /nfs/dbraw/zinc/68/56/21/563685621.db2.gz FAJLZETWHRGLOC-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN CCCc1nc(CSc2nnc(SCC)s2)cs1 ZINC000045002919 563687628 /nfs/dbraw/zinc/68/76/28/563687628.db2.gz DHTMQXQQGFSZTL-UHFFFAOYSA-N 0 0 317.530 4.351 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)c2C)cc1 ZINC000051354267 563690429 /nfs/dbraw/zinc/69/04/29/563690429.db2.gz JLVQYMPLQKJOJP-UHFFFAOYSA-N 0 0 312.369 4.124 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 ZINC000051354269 563690554 /nfs/dbraw/zinc/69/05/54/563690554.db2.gz NQRTYRVZXQJKHE-UHFFFAOYSA-N 0 0 312.369 4.124 50 0 DIAARN O=C(Nc1ccc(Cl)cc1F)Nc1cc(F)ccc1F ZINC000051354430 563691171 /nfs/dbraw/zinc/69/11/71/563691171.db2.gz KLPRVZPZGPMBIJ-UHFFFAOYSA-N 0 0 300.667 4.401 50 0 DIAARN O=C(Nc1ccc(F)cc1Cl)Nc1cc(F)ccc1F ZINC000051354426 563691197 /nfs/dbraw/zinc/69/11/97/563691197.db2.gz RGHPJZLKWCFXRT-UHFFFAOYSA-N 0 0 300.667 4.401 50 0 DIAARN Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1Cl ZINC000051354478 563691294 /nfs/dbraw/zinc/69/12/94/563691294.db2.gz KJROATNSSMXSAO-UHFFFAOYSA-N 0 0 304.733 4.021 50 0 DIAARN O=C(Cc1cccs1)N1CCC[C@H]1c1ccccc1Cl ZINC000046018098 563691787 /nfs/dbraw/zinc/69/17/87/563691787.db2.gz MFDDVEJXXMJNNK-HNNXBMFYSA-N 0 0 305.830 4.308 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046018094 563691801 /nfs/dbraw/zinc/69/18/01/563691801.db2.gz OCMHUOKJGVVFTF-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1c1ccccc1F ZINC000046018032 563691824 /nfs/dbraw/zinc/69/18/24/563691824.db2.gz DOULGRREVMLKHL-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN 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/nfs/dbraw/zinc/79/81/26/563798126.db2.gz QRLRDAZSWIPILJ-UHFFFAOYSA-N 0 0 302.377 4.238 50 0 DIAARN COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cn1 ZINC000012528042 563798165 /nfs/dbraw/zinc/79/81/65/563798165.db2.gz MJEQALOCBDRUDN-UHFFFAOYSA-N 0 0 318.785 4.211 50 0 DIAARN Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)c(C)s1 ZINC000012532931 563798249 /nfs/dbraw/zinc/79/82/49/563798249.db2.gz YPVCJSPCQXJWRF-UHFFFAOYSA-N 0 0 315.423 4.136 50 0 DIAARN C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)c1ccccn1 ZINC000012534543 563798995 /nfs/dbraw/zinc/79/89/95/563798995.db2.gz JRSBNBRDMSBGHM-LLVKDONJSA-N 0 0 310.426 4.138 50 0 DIAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012543330 563799625 /nfs/dbraw/zinc/79/96/25/563799625.db2.gz AUJSICMPZMVNOP-UHFFFAOYSA-N 0 0 308.425 4.248 50 0 DIAARN CC[C@@H](C)c1ccccc1NC(=O)CNc1ccc(F)cc1 ZINC000003257559 563799916 /nfs/dbraw/zinc/79/99/16/563799916.db2.gz BBVWAMFUAZYFIZ-CYBMUJFWSA-N 0 0 300.377 4.390 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)n1 ZINC000003236124 563799950 /nfs/dbraw/zinc/79/99/50/563799950.db2.gz GKABPNQQACSXRA-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cc(F)cc(F)c1 ZINC000012545612 563800446 /nfs/dbraw/zinc/80/04/46/563800446.db2.gz YZZXNYGTUVRGLT-UHFFFAOYSA-N 0 0 318.710 4.419 50 0 DIAARN Fc1ccccc1CSCCNC(=S)Nc1ccccc1 ZINC000012545573 563800624 /nfs/dbraw/zinc/80/06/24/563800624.db2.gz NGORSWGZUZMBRK-UHFFFAOYSA-N 0 0 320.458 4.046 50 0 DIAARN C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21C ZINC000044062758 563800983 /nfs/dbraw/zinc/80/09/83/563800983.db2.gz VWAUPFMBXBWEQY-NCYKPQTJSA-N 0 0 310.437 4.276 50 0 in-vitro DIAARN CCn1c2ccccc2c2cc(CN(C)C(=O)C(C)C)ccc21 ZINC000012555050 563801063 /nfs/dbraw/zinc/80/10/63/563801063.db2.gz DDYKYNUOBNBHGI-UHFFFAOYSA-N 0 0 308.425 4.429 50 0 DIAARN O=C(c1cccc(-n2cccc2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000012555404 563801172 /nfs/dbraw/zinc/80/11/72/563801172.db2.gz FJXDURMNLJSLDJ-AEFFLSMTSA-N 0 0 308.425 4.130 50 0 DIAARN c1ccc2c(c1)CCN(c1ncnc3sc4c(c31)CCCC4)C2 ZINC000003331811 563801202 /nfs/dbraw/zinc/80/12/02/563801202.db2.gz JOXQWSMCGBRLNI-UHFFFAOYSA-N 0 0 321.449 4.133 50 0 DIAARN C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCCC1 ZINC000003386828 563801573 /nfs/dbraw/zinc/80/15/73/563801573.db2.gz FOKVHIPBPFAQAR-INIZCTEOSA-N 0 0 324.424 4.292 50 0 DIAARN O=C(CCc1ccco1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012616469 563803755 /nfs/dbraw/zinc/80/37/55/563803755.db2.gz YOLLWEGBCVNSRH-GOSISDBHSA-N 0 0 311.406 4.180 50 0 DIAARN COc1cccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 ZINC000012618500 563804277 /nfs/dbraw/zinc/80/42/77/563804277.db2.gz ASKCMFLQSUPNIR-UHFFFAOYSA-N 0 0 306.365 4.047 50 0 DIAARN O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCC2)c1ccoc1 ZINC000012625061 563807555 /nfs/dbraw/zinc/80/75/55/563807555.db2.gz XMQHCIBVQTUCEF-SFHVURJKSA-N 0 0 323.417 4.349 50 0 DIAARN CCOc1ccccc1C[S@@](=O)[C@@H](C)c1ccc(F)cc1 ZINC000078555954 563808516 /nfs/dbraw/zinc/80/85/16/563808516.db2.gz NSBBLXIOZIRASZ-ZSEKCTLFSA-N 0 0 306.402 4.234 50 0 DIAARN CC(C)Oc1ccccc1C[S@](=O)Cc1ccccc1F ZINC000078556014 563808535 /nfs/dbraw/zinc/80/85/35/563808535.db2.gz VZFAZOWECAAMAA-NRFANRHFSA-N 0 0 306.402 4.062 50 0 DIAARN Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2C(=O)c1ccc(Cl)cc1 ZINC000001315217 563811767 /nfs/dbraw/zinc/81/17/67/563811767.db2.gz AZGHPONYURSMKP-PXAZEXFGSA-N 0 0 315.800 4.121 50 0 DIAARN c1ccc2[nH]c(-c3cccnc3SCc3cccnc3)nc2c1 ZINC000001329090 563811783 /nfs/dbraw/zinc/81/17/83/563811783.db2.gz HLYZFUCCVRLEIV-UHFFFAOYSA-N 0 0 318.405 4.312 50 0 DIAARN CC(C)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000012728666 563813648 /nfs/dbraw/zinc/81/36/48/563813648.db2.gz BLYRKOYLKFASKD-OAHLLOKOSA-N 0 0 324.424 4.162 50 0 DIAARN CN(CC1CCCC1)C(=O)c1ccccc1Oc1cccnc1 ZINC000083859116 563813961 /nfs/dbraw/zinc/81/39/61/563813961.db2.gz NOZAQHLCAOORIZ-UHFFFAOYSA-N 0 0 310.397 4.136 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1csc(-c2cccs2)n1 ZINC000001385562 563814583 /nfs/dbraw/zinc/81/45/83/563814583.db2.gz JPGNOJGGGGVAKR-UHFFFAOYSA-N 0 0 304.371 4.263 50 0 DIAARN Clc1ccccc1Sc1nc2ccccc2n2cnnc12 ZINC000001388150 563815240 /nfs/dbraw/zinc/81/52/40/563815240.db2.gz QCLGTMIVGCCCLG-UHFFFAOYSA-N 0 0 312.785 4.082 50 0 DIAARN Cc1cccc(Cn2nc(-n3cccc3)c3c2nc(C)cc3C)c1 ZINC000001390068 563815904 /nfs/dbraw/zinc/81/59/04/563815904.db2.gz GBPWUFJZUMIZHY-UHFFFAOYSA-N 0 0 316.408 4.196 50 0 DIAARN Cc1cc(C)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000001391272 563816899 /nfs/dbraw/zinc/81/68/99/563816899.db2.gz JDHKJNOQVAJMJT-UHFFFAOYSA-N 0 0 307.315 4.252 50 0 DIAARN COc1cnc(SC)nc1Oc1ccc(Cl)cc1Cl ZINC000001391941 563817295 /nfs/dbraw/zinc/81/72/95/563817295.db2.gz TVBOVTBVHWMHCB-UHFFFAOYSA-N 0 0 317.197 4.306 50 0 DIAARN CSc1nc2ccccc2c(Oc2ccc(F)cc2F)n1 ZINC000001392713 563817429 /nfs/dbraw/zinc/81/74/29/563817429.db2.gz TZEWLHAWBVDCLF-UHFFFAOYSA-N 0 0 304.321 4.422 50 0 DIAARN CNc1nc(Sc2ccccc2Cl)cc(C(F)(F)F)n1 ZINC000001396770 563818056 /nfs/dbraw/zinc/81/80/56/563818056.db2.gz MNCZMNDJYSIDQQ-UHFFFAOYSA-N 0 0 319.739 4.342 50 0 DIAARN Cc1nn2c(nc(C(F)(F)F)cc2-c2cccs2)c1Cl ZINC000001403911 563819388 /nfs/dbraw/zinc/81/93/88/563819388.db2.gz DIZIFOYXWZSECA-UHFFFAOYSA-N 0 0 317.723 4.438 50 0 DIAARN CC[C@H](C)[C@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000012743757 563820024 /nfs/dbraw/zinc/82/00/24/563820024.db2.gz URHSHUWATLGRQD-LIRRHRJNSA-N 0 0 324.424 4.413 50 0 DIAARN Cc1ccc([C@H]2CSCCN2C(=O)Nc2ccccc2)cc1 ZINC000084148761 563824299 /nfs/dbraw/zinc/82/42/99/563824299.db2.gz JJEFSOAMVXBCFR-QGZVFWFLSA-N 0 0 312.438 4.317 50 0 DIAARN CCc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000012756907 563825021 /nfs/dbraw/zinc/82/50/21/563825021.db2.gz IUFNCJLHONMEJM-UHFFFAOYSA-N 0 0 321.380 4.223 50 0 DIAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1 ZINC000012758750 563825105 /nfs/dbraw/zinc/82/51/05/563825105.db2.gz RXESMWHEXLCCOX-UHFFFAOYSA-N 0 0 318.376 4.318 50 0 DIAARN c1ccc(-c2nnc(C[N@@H+](CC3CC3)C3CCCCC3)o2)cc1 ZINC000084569182 563827665 /nfs/dbraw/zinc/82/76/65/563827665.db2.gz CMGOHPBSSLNKBP-UHFFFAOYSA-N 0 0 311.429 4.281 50 0 DIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3cccnc32)c(C)c1 ZINC000012773021 563828110 /nfs/dbraw/zinc/82/81/10/563828110.db2.gz YMOLDPCKGXJKIQ-OAHLLOKOSA-N 0 0 320.392 4.258 50 0 DIAARN Cc1ccc(CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1 ZINC000012773433 563828414 /nfs/dbraw/zinc/82/84/14/563828414.db2.gz UYAQJRBWJFHKKW-UHFFFAOYSA-N 0 0 324.424 4.161 50 0 DIAARN Cc1cnc(CNc2cccc(Cl)c2Br)o1 ZINC000190466864 563828421 /nfs/dbraw/zinc/82/84/21/563828421.db2.gz MCICRZNPLNFHIU-UHFFFAOYSA-N 0 0 301.571 4.011 50 0 DIAARN c1nnc(SCc2csc(CCc3ccccc3)n2)s1 ZINC000084646381 563829288 /nfs/dbraw/zinc/82/92/88/563829288.db2.gz YSNUVDGANAJYRT-UHFFFAOYSA-N 0 0 319.480 4.072 50 0 DIAARN CCc1cccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)c1 ZINC000012781735 563830521 /nfs/dbraw/zinc/83/05/21/563830521.db2.gz DGFLTDKYPIMBPU-UHFFFAOYSA-N 0 0 321.380 4.223 50 0 DIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000012781727 563830740 /nfs/dbraw/zinc/83/07/40/563830740.db2.gz NYQRSQDCCLJOGO-UHFFFAOYSA-N 0 0 321.380 4.278 50 0 DIAARN C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(F)c(F)c1 ZINC000012782059 563830860 /nfs/dbraw/zinc/83/08/60/563830860.db2.gz DZWLXVZZVUXMLU-QMMMGPOBSA-N 0 0 313.706 4.248 50 0 DIAARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1 ZINC000012784534 563831219 /nfs/dbraw/zinc/83/12/19/563831219.db2.gz VIFYMSBHMOOHDU-UHFFFAOYSA-N 0 0 306.818 4.318 50 0 DIAARN CCNC(=S)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000084791106 563831455 /nfs/dbraw/zinc/83/14/55/563831455.db2.gz QYEVUBMKRXJBIV-KRWDZBQOSA-N 0 0 310.422 4.006 50 0 DIAARN Cc1ccsc1[C@H]1SC(C)=Nc2c1c(=O)[nH]n2C(C)C ZINC000085412450 563835793 /nfs/dbraw/zinc/83/57/93/563835793.db2.gz XEEOVKNRLQLYGC-LBPRGKRZSA-N 0 0 307.444 4.013 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001456750 563835806 /nfs/dbraw/zinc/83/58/06/563835806.db2.gz VOYJZLPXBVTSMF-OXQOHEQNSA-N 0 0 323.436 4.427 50 0 DIAARN c1ccc(-c2cc(SCc3nc4ccccc4[nH]3)ncn2)cc1 ZINC000011906271 563835998 /nfs/dbraw/zinc/83/59/98/563835998.db2.gz ZCMGQGOKNVRXFJ-UHFFFAOYSA-N 0 0 318.405 4.312 50 0 DIAARN Fc1c(Cl)cccc1OCc1csc([C@@H]2CCCO2)n1 ZINC000185509959 563839676 /nfs/dbraw/zinc/83/96/76/563839676.db2.gz WYPKDEWISOWXLO-LBPRGKRZSA-N 0 0 313.781 4.366 50 0 DIAARN CCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000012820543 563840024 /nfs/dbraw/zinc/84/00/24/563840024.db2.gz ZISGBPKHJOTBHK-AGXSTUJCSA-N 0 0 311.469 4.359 50 0 DIAARN C[S@@](=O)Cc1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129705018 563842564 /nfs/dbraw/zinc/84/25/64/563842564.db2.gz GFZIKJSHUNTRHU-BYVOGVQKSA-N 0 0 319.392 4.098 50 0 DIAARN COc1ccc(Cl)cc1C(=O)Nc1cnc2ccccc2c1 ZINC000001513882 563844127 /nfs/dbraw/zinc/84/41/27/563844127.db2.gz GDHUUDNAERFDBZ-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN CC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000074314328 563844132 /nfs/dbraw/zinc/84/41/32/563844132.db2.gz QDJMNZVODBOEMT-UHFFFAOYSA-N 0 0 324.302 4.156 50 0 DIAARN C[C@H](c1ccco1)N(C(=O)NCc1cc2ccccc2[nH]1)C1CC1 ZINC000086372383 563844842 /nfs/dbraw/zinc/84/48/42/563844842.db2.gz ZHDPBWBNPIQKOM-CYBMUJFWSA-N 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0 0 324.405 4.211 50 0 DIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(C)c1 ZINC000012916484 563853902 /nfs/dbraw/zinc/85/39/02/563853902.db2.gz BYLGXBPLJJBBFD-UHFFFAOYSA-N 0 0 321.420 4.394 50 0 DIAARN O=C(Cc1ccsc1)N[C@H](c1ccsc1)c1cccs1 ZINC000575414653 563856461 /nfs/dbraw/zinc/85/64/61/563856461.db2.gz HDZCPJNOFZJOPR-OAHLLOKOSA-N 0 0 319.476 4.319 50 0 DIAARN C[C@H](c1cccnc1)N(C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000075094246 563859094 /nfs/dbraw/zinc/85/90/94/563859094.db2.gz XXYCWCRVTPWJSS-LSDHHAIUSA-N 0 0 309.413 4.078 50 0 DIAARN CC[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccco2)o1 ZINC000075093983 563859352 /nfs/dbraw/zinc/85/93/52/563859352.db2.gz VEMFJKBJYZNSKJ-CQSZACIVSA-N 0 0 309.369 4.061 50 0 DIAARN COc1cccc(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000075107505 563859591 /nfs/dbraw/zinc/85/95/91/563859591.db2.gz HGZVRDMESLISHZ-JXFKEZNVSA-N 0 0 323.436 4.032 50 0 DIAARN C[C@H](OC(=O)CC(C)(C)C)c1nc2cc(Cl)ccc2n1C ZINC000075104063 563859635 /nfs/dbraw/zinc/85/96/35/563859635.db2.gz BKBYSFRJWVADSQ-JTQLQIEISA-N 0 0 308.809 4.267 50 0 DIAARN C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cc2ccccc2o1 ZINC000075126025 563860218 /nfs/dbraw/zinc/86/02/18/563860218.db2.gz UUHVYKFDZWMDBF-CYBMUJFWSA-N 0 0 316.360 4.472 50 0 DIAARN O=C(c1cccs1)N(CCc1cccs1)Cc1ccco1 ZINC000075154749 563860634 /nfs/dbraw/zinc/86/06/34/563860634.db2.gz NHWRTOJNMYYLGH-UHFFFAOYSA-N 0 0 317.435 4.288 50 0 DIAARN Cc1nc2nccc(-c3cc4c(cc3C)[C@H](C)CC(C)(C)N4)n2n1 ZINC000575473296 563861219 /nfs/dbraw/zinc/86/12/19/563861219.db2.gz VYMZWLSDCXESEF-GFCCVEGCSA-N 0 0 321.428 4.106 50 0 DIAARN O=C(/C=C/c1ccsc1)N1CCC(c2cccs2)CC1 ZINC000075157058 563861302 /nfs/dbraw/zinc/86/13/02/563861302.db2.gz DSOWZZDYXKVGSO-ONEGZZNKSA-N 0 0 303.452 4.229 50 0 DIAARN Cc1cc2c(cc1N)N[C@H]([C@]1(C)Cc3ccccc3C1(C)C)CN2 ZINC000075249169 563861632 /nfs/dbraw/zinc/86/16/32/563861632.db2.gz UJSDBBBAQCJNJJ-FPOVZHCZSA-N 0 0 321.468 4.323 50 0 DIAARN O=C(Nc1nnc(-c2cccs2)s1)c1cccc(Cl)c1 ZINC000075260771 563862333 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/nfs/dbraw/zinc/86/36/73/563863673.db2.gz NMYHBNVYFHGPFI-SNVBAGLBSA-N 0 0 304.415 4.139 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000007559291 563864345 /nfs/dbraw/zinc/86/43/45/563864345.db2.gz OWVJJGURXHUIBW-UWVGGRQHSA-N 0 0 300.830 4.154 50 0 DIAARN CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccncc1 ZINC000117663213 563865689 /nfs/dbraw/zinc/86/56/89/563865689.db2.gz FKENFUJRPPFOBD-UHFFFAOYSA-N 0 0 310.328 4.147 50 0 DIAARN O=C(/C=C/c1ccccc1)NCc1ccc(-c2ccsc2)o1 ZINC000575610065 563865716 /nfs/dbraw/zinc/86/57/16/563865716.db2.gz JUKIVVMQNOOILE-RMKNXTFCSA-N 0 0 309.390 4.338 50 0 DIAARN O=C(/C=C/c1cccs1)NCc1ccc(-c2ccsc2)o1 ZINC000575610115 563865741 /nfs/dbraw/zinc/86/57/41/563865741.db2.gz KFARRTBBVIMBPG-GQCTYLIASA-N 0 0 315.419 4.399 50 0 DIAARN O=C(Cc1ccsc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000035476329 563867615 /nfs/dbraw/zinc/86/76/15/563867615.db2.gz VSGFPKUNYMDJTJ-HNNXBMFYSA-N 0 0 305.830 4.308 50 0 DIAARN C[C@H](Cc1csc2ccccc12)NC(=O)c1ccccc1F ZINC000575620036 563867748 /nfs/dbraw/zinc/86/77/48/563867748.db2.gz HVRQWNDMIJKVKD-GFCCVEGCSA-N 0 0 313.397 4.401 50 0 DIAARN C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccccc1F ZINC000575620038 563867798 /nfs/dbraw/zinc/86/77/98/563867798.db2.gz HVRQWNDMIJKVKD-LBPRGKRZSA-N 0 0 313.397 4.401 50 0 DIAARN Cc1ccc2nc(NC(=O)c3cc4c(s3)CCC4)sc2c1 ZINC000009514496 563868298 /nfs/dbraw/zinc/86/82/98/563868298.db2.gz YWQBYFQELBPOOG-UHFFFAOYSA-N 0 0 314.435 4.407 50 0 DIAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)C(C)C)c3)nc2c1 ZINC000075421471 563870967 /nfs/dbraw/zinc/87/09/67/563870967.db2.gz YPWPKMOUPBNWFW-UHFFFAOYSA-N 0 0 307.397 4.441 50 0 DIAARN Cc1cccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000012921978 563871102 /nfs/dbraw/zinc/87/11/02/563871102.db2.gz RAANWPHWIFDTFT-ZHACJKMWSA-N 0 0 303.405 4.324 50 0 DIAARN Cc1ccc(NC(=O)c2cnc(C(C)C)nc2C)c(Cl)c1 ZINC000075437006 563871570 /nfs/dbraw/zinc/87/15/70/563871570.db2.gz JWILWLQEZMKGSE-UHFFFAOYSA-N 0 0 303.793 4.123 50 0 DIAARN CCc1nc(-c2cccc(NC(=O)CCC3CCCC3)c2)no1 ZINC000035539604 563872376 /nfs/dbraw/zinc/87/23/76/563872376.db2.gz NFSYOASVTUWMFT-UHFFFAOYSA-N 0 0 313.401 4.208 50 0 DIAARN CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1-c1ccccc1C ZINC000035622428 563872737 /nfs/dbraw/zinc/87/27/37/563872737.db2.gz MZEKFKDLBPNTKY-IBGZPJMESA-N 0 0 321.428 4.016 50 0 DIAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000012983166 563872741 /nfs/dbraw/zinc/87/27/41/563872741.db2.gz DTLAOWGXMWZBTP-GFCCVEGCSA-N 0 0 303.789 4.472 50 0 DIAARN CC(C)[C@H](C(=O)Nc1ccncc1F)c1cccc(Cl)c1 ZINC000122872022 563872987 /nfs/dbraw/zinc/87/29/87/563872987.db2.gz HNRHWVWABQVXDA-HNNXBMFYSA-N 0 0 306.768 4.252 50 0 DIAARN CCC(C)(C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000012982800 563872998 /nfs/dbraw/zinc/87/29/98/563872998.db2.gz CBRQKOSIORCJFE-UHFFFAOYSA-N 0 0 317.458 4.104 50 0 DIAARN Cc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c(C)c1 ZINC000075467520 563873883 /nfs/dbraw/zinc/87/38/83/563873883.db2.gz OHMVMEFFQXELNK-UHFFFAOYSA-N 0 0 316.364 4.411 50 0 DIAARN Cc1conc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000123333642 563874479 /nfs/dbraw/zinc/87/44/79/563874479.db2.gz JQYYLCFDCKWRNO-UHFFFAOYSA-N 0 0 312.369 4.342 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)cc(C)c2)cc1 ZINC000013000378 563875097 /nfs/dbraw/zinc/87/50/97/563875097.db2.gz WUEWYMVLEWNNOW-IBGZPJMESA-N 0 0 309.409 4.289 50 0 DIAARN Cc1cc(C(=O)N[C@@H](C)CCc2ccco2)c(C)n1C(C)C ZINC000013010294 563875608 /nfs/dbraw/zinc/87/56/08/563875608.db2.gz LZIRKOYMBZMGKQ-ZDUSSCGKSA-N 0 0 302.418 4.030 50 0 DIAARN O=C(Nc1cccc2ncccc21)c1ccc(Cl)cc1F ZINC000013006362 563875642 /nfs/dbraw/zinc/87/56/42/563875642.db2.gz ZYIHZCOOAZXVKI-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)o1 ZINC000013008177 563875648 /nfs/dbraw/zinc/87/56/48/563875648.db2.gz DDKYUEZMEPXDAL-UHFFFAOYSA-N 0 0 305.639 4.084 50 0 DIAARN CC[C@H](NC(=O)N(C)C1CCCCCC1)c1c(C)noc1C ZINC000123408020 563875994 /nfs/dbraw/zinc/87/59/94/563875994.db2.gz VBVFMENMSSBPCV-HNNXBMFYSA-N 0 0 307.438 4.107 50 0 DIAARN CC(C)c1nc2cc(CCC(=O)NC3CCCCC3)ccc2[nH]1 ZINC000075478764 563876032 /nfs/dbraw/zinc/87/60/32/563876032.db2.gz WBHSAMAZKCKSDA-UHFFFAOYSA-N 0 0 313.445 4.068 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CCc1ccc2[nH]cnc2c1 ZINC000075478824 563876115 /nfs/dbraw/zinc/87/61/15/563876115.db2.gz LSJUOVKNBYXLBB-UHFFFAOYSA-N 0 0 313.788 4.096 50 0 DIAARN CCOc1ccc(OCC)c(NC(=O)CCC2CCCC2)c1 ZINC000013018907 563876568 /nfs/dbraw/zinc/87/65/68/563876568.db2.gz QUUNXOHQHUVADN-UHFFFAOYSA-N 0 0 305.418 4.393 50 0 DIAARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCc2ccccc21 ZINC000013015826 563876748 /nfs/dbraw/zinc/87/67/48/563876748.db2.gz DRGGSQKYFLOXFM-INIZCTEOSA-N 0 0 319.326 4.052 50 0 DIAARN Cc1ccc(-c2csc(=Nc3ccccc3)n2CCCO)cc1 ZINC000252669612 563877068 /nfs/dbraw/zinc/87/70/68/563877068.db2.gz ICFGAZWLXBLDNE-UHFFFAOYSA-N 0 0 324.449 4.140 50 0 DIAARN COc1cccc(NC(=O)Nc2cccc(Br)c2)c1 ZINC000013048717 563878380 /nfs/dbraw/zinc/87/83/80/563878380.db2.gz VUQXVWZBSYNUNQ-UHFFFAOYSA-N 0 0 321.174 4.102 50 0 DIAARN C[C@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239297065 563879685 /nfs/dbraw/zinc/87/96/85/563879685.db2.gz DRMVBDRUIKPZNG-NFFDBFGFSA-N 0 0 309.450 4.247 50 0 DIAARN O=C(Nc1ccccc1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Cl ZINC000239347238 563879888 /nfs/dbraw/zinc/87/98/88/563879888.db2.gz MMOSXTJWJAFEOQ-ZSAUSMIDSA-N 0 0 324.251 4.481 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 ZINC000241383437 563880840 /nfs/dbraw/zinc/88/08/40/563880840.db2.gz MVJSMEHGNQNKDU-IAISJRAMSA-N 0 0 310.397 4.380 50 0 DIAARN O=c1ccc(C(F)(F)F)cn1Cc1cccc2ccccc21 ZINC000002642622 563882671 /nfs/dbraw/zinc/88/26/71/563882671.db2.gz LGYSDDJABROEQE-UHFFFAOYSA-N 0 0 303.283 4.069 50 0 DIAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1nc(C2CC2)cs1 ZINC000246223736 563882818 /nfs/dbraw/zinc/88/28/18/563882818.db2.gz ZUDTZIKURFCQSV-MPKXVKKWSA-N 0 0 305.447 4.205 50 0 DIAARN CCc1ccc(NC(=O)CSCc2ccccc2F)cc1 ZINC000001892717 563882859 /nfs/dbraw/zinc/88/28/59/563882859.db2.gz KXECTZSKTTXCJA-UHFFFAOYSA-N 0 0 303.402 4.260 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000089284745 563883191 /nfs/dbraw/zinc/88/31/91/563883191.db2.gz BEPUIFBQBDIYGM-UHFFFAOYSA-N 0 0 315.323 4.315 50 0 DIAARN CCc1ccc([C@@H]2CCCCCN2Cc2nnc(C3CC3)o2)o1 ZINC000089286691 563883548 /nfs/dbraw/zinc/88/35/48/563883548.db2.gz PPRHDSDAMMGJHY-HNNXBMFYSA-N 0 0 315.417 4.220 50 0 DIAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000191939870 563883839 /nfs/dbraw/zinc/88/38/39/563883839.db2.gz WNYSYKMKMIUFKN-UHFFFAOYSA-N 0 0 323.396 4.222 50 0 DIAARN CCc1nc(CC(=O)Nc2c(C)cc(Cl)cc2C)cs1 ZINC000089289914 563884026 /nfs/dbraw/zinc/88/40/26/563884026.db2.gz BTLMNEPIQHQWQH-UHFFFAOYSA-N 0 0 308.834 4.157 50 0 DIAARN CCSc1nnc(Sc2cc(C)nc(C(C)C)n2)s1 ZINC000075572378 563884727 /nfs/dbraw/zinc/88/47/27/563884727.db2.gz OPXKYDXGAWSDQZ-UHFFFAOYSA-N 0 0 312.489 4.023 50 0 DIAARN Cc1ccc(-c2cncc(C(=O)NCCc3ccccc3)c2)cc1 ZINC000035792575 563885584 /nfs/dbraw/zinc/88/55/84/563885584.db2.gz PXBIQBZAEHKXHN-UHFFFAOYSA-N 0 0 316.404 4.030 50 0 DIAARN CCc1ccc(OCCCn2c3ccccc3nc2[C@@H](C)O)cc1 ZINC000001926787 563886030 /nfs/dbraw/zinc/88/60/30/563886030.db2.gz QQQIUMSIKXPPEK-OAHLLOKOSA-N 0 0 324.424 4.121 50 0 DIAARN Cc1ccc(-c2csc3ncn(CC(C)C)c(=O)c23)cc1C ZINC000001939636 563886210 /nfs/dbraw/zinc/88/62/10/563886210.db2.gz YARWKZYDOBHPBX-UHFFFAOYSA-N 0 0 312.438 4.398 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000407960 563886747 /nfs/dbraw/zinc/88/67/47/563886747.db2.gz UYHPXVYJMXWWQM-UHFFFAOYSA-N 0 0 319.360 4.269 50 0 DIAARN Clc1cnccc1CN1CCC(COc2ccccc2)CC1 ZINC000075673221 563887138 /nfs/dbraw/zinc/88/71/38/563887138.db2.gz RSSNVAAMIPWCOO-UHFFFAOYSA-N 0 0 316.832 4.026 50 0 DIAARN Cc1c(C=NNc2cccc3cccnc32)c2ccccc2n1C ZINC000252590317 563887433 /nfs/dbraw/zinc/88/74/33/563887433.db2.gz ARIIHUNFSHPIOY-UHFFFAOYSA-N 0 0 314.392 4.481 50 0 DIAARN CC(=O)Nc1ccc(Oc2nc3c(C)cccc3cc2C=O)cc1 ZINC000006509792 563889002 /nfs/dbraw/zinc/88/90/02/563889002.db2.gz WAOMQCAKKWRAFR-UHFFFAOYSA-N 0 0 320.348 4.106 50 0 DIAARN S=c1nc2ccccc2c(NCCc2c[nH]c3ccccc23)[nH]1 ZINC000140046697 563891602 /nfs/dbraw/zinc/89/16/02/563891602.db2.gz RRDWOJCLEXWROU-UHFFFAOYSA-N 0 0 320.421 4.428 50 0 DIAARN Cc1ccc(C)c(-c2cc(CN(C(=O)C(C)C)C3CC3)no2)c1 ZINC000036005612 563891632 /nfs/dbraw/zinc/89/16/32/563891632.db2.gz MNBMVMDYIIQURM-UHFFFAOYSA-N 0 0 312.413 4.105 50 0 DIAARN Fc1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000064657102 563892221 /nfs/dbraw/zinc/89/22/21/563892221.db2.gz HDAQDMILTHSHCH-UHFFFAOYSA-N 0 0 304.328 4.279 50 0 DIAARN O=C(CC1CCCC1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678018 563892383 /nfs/dbraw/zinc/89/23/83/563892383.db2.gz HBZAEAHAQGTBEM-UHFFFAOYSA-N 0 0 315.457 4.274 50 0 DIAARN CCn1cnc2ccc(-c3noc(-c4ccccc4C)n3)cc21 ZINC000064759530 563893340 /nfs/dbraw/zinc/89/33/40/563893340.db2.gz FPLCJMCEWOINOM-UHFFFAOYSA-N 0 0 304.353 4.082 50 0 DIAARN CCCn1nnc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21 ZINC000064818600 563894452 /nfs/dbraw/zinc/89/44/52/563894452.db2.gz RKBLBFGDFKEMEC-UHFFFAOYSA-N 0 0 322.412 4.019 50 0 DIAARN 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323.371 4.040 50 0 DIAARN CCN(C(=O)NCc1noc2ccccc12)c1cc(C)ccc1C ZINC000008589306 563949405 /nfs/dbraw/zinc/94/94/05/563949405.db2.gz CMSJUHJPWZVUCB-UHFFFAOYSA-N 0 0 323.396 4.181 50 0 DIAARN CCOc1ccccc1C(=O)Nc1cccc2ccc(C)nc21 ZINC000008587524 563949463 /nfs/dbraw/zinc/94/94/63/563949463.db2.gz KYFNIJBTYYJDEB-UHFFFAOYSA-N 0 0 306.365 4.194 50 0 DIAARN CC[C@H]1CCCCN1C(=S)Nc1ccc(OC(F)F)cc1 ZINC000008684603 563949756 /nfs/dbraw/zinc/94/97/56/563949756.db2.gz LVZMXNNTEWBIKO-LBPRGKRZSA-N 0 0 314.401 4.249 50 0 DIAARN Cc1ccccc1[C@@H](C)Nc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000067711632 563949837 /nfs/dbraw/zinc/94/98/37/563949837.db2.gz LKNVLAVSZYRCAP-GFCCVEGCSA-N 0 0 319.836 4.133 50 0 DIAARN CC(=O)c1ccc(Cl)c(Cl)c1OCc1nc(C)c(C)o1 ZINC000067783706 563950055 /nfs/dbraw/zinc/95/00/55/563950055.db2.gz PHNDXGTUQOTMTN-UHFFFAOYSA-N 0 0 314.168 4.380 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000008727325 563950385 /nfs/dbraw/zinc/95/03/85/563950385.db2.gz HKMUCEKXHDDZJA-BBRMVZONSA-N 0 0 314.454 4.048 50 0 DIAARN Cc1n[nH]c(C)c1CCCCOc1ccccc1Br ZINC000008753681 563950562 /nfs/dbraw/zinc/95/05/62/563950562.db2.gz YOZSZAWGJWDPHA-UHFFFAOYSA-N 0 0 323.234 4.191 50 0 DIAARN CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000008750058 563950652 /nfs/dbraw/zinc/95/06/52/563950652.db2.gz VCRDPXJMWGXKFY-MRXNPFEDSA-N 0 0 304.340 4.484 50 0 DIAARN O=C(CCSc1ccc(Cl)cc1)c1cccc2c1OCO2 ZINC000008773171 563950770 /nfs/dbraw/zinc/95/07/70/563950770.db2.gz OIKFFOVPNCEUBS-UHFFFAOYSA-N 0 0 320.797 4.434 50 0 DIAARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 ZINC000008774932 563950825 /nfs/dbraw/zinc/95/08/25/563950825.db2.gz ZJMOIBNAERSUKC-OAHLLOKOSA-N 0 0 322.389 4.333 50 0 DIAARN Cc1ccc2oc(C(=O)Nc3nc4c(cccc4C)s3)cc2n1 ZINC000008798743 563950872 /nfs/dbraw/zinc/95/08/72/563950872.db2.gz CBBWNGQHMQPHOM-UHFFFAOYSA-N 0 0 323.377 4.307 50 0 DIAARN Cc1ccccc1OCCSc1nnc(-c2cccs2)o1 ZINC000008830960 563950908 /nfs/dbraw/zinc/95/09/08/563950908.db2.gz GTDBFRQXEXYKHK-UHFFFAOYSA-N 0 0 318.423 4.278 50 0 DIAARN Cc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc2n1 ZINC000008798713 563950934 /nfs/dbraw/zinc/95/09/34/563950934.db2.gz JJKMJLLPGXHHRO-UHFFFAOYSA-N 0 0 300.745 4.350 50 0 DIAARN Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2n1 ZINC000008798646 563950982 /nfs/dbraw/zinc/95/09/82/563950982.db2.gz ZCALAKBEVUQAKY-UHFFFAOYSA-N 0 0 320.270 4.407 50 0 DIAARN Cc1ccc([C@H]2CCCCN2C(=O)CCc2cscn2)cc1 ZINC000172665331 563951102 /nfs/dbraw/zinc/95/11/02/563951102.db2.gz FCVILVWKWWNCRA-QGZVFWFLSA-N 0 0 314.454 4.138 50 0 DIAARN C[C@H](c1ccccc1Cl)N1C(=O)NC2(CCCCCC2)C1=O ZINC000008882257 563951248 /nfs/dbraw/zinc/95/12/48/563951248.db2.gz OCIMFUDBPASIMF-GFCCVEGCSA-N 0 0 320.820 4.046 50 0 DIAARN CC(=O)c1cc2c(C)c(C(=O)c3ccc(C)cc3)oc2cc1O ZINC000039930874 563951313 /nfs/dbraw/zinc/95/13/13/563951313.db2.gz CYWBGPXOXLLYHN-UHFFFAOYSA-N 0 0 308.333 4.189 50 0 DIAARN Cc1oc(-c2cccs2)nc1CN1CCOc2ccccc21 ZINC000040072449 563951315 /nfs/dbraw/zinc/95/13/15/563951315.db2.gz ACRHIPGWBCKLJV-UHFFFAOYSA-N 0 0 312.394 4.111 50 0 DIAARN FC(F)(F)c1cccc(NC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000068938274 563951373 /nfs/dbraw/zinc/95/13/73/563951373.db2.gz FAKJLDLEHHDREQ-CYBMUJFWSA-N 0 0 321.346 4.039 50 0 DIAARN O=C(c1ccc(F)cc1Cl)N1CCCc2ccc(F)cc21 ZINC000040117183 563951483 /nfs/dbraw/zinc/95/14/83/563951483.db2.gz IDYZDUMDKAXOFS-UHFFFAOYSA-N 0 0 307.727 4.211 50 0 DIAARN Cc1ccc(Cl)c(OCc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000008940102 563951578 /nfs/dbraw/zinc/95/15/78/563951578.db2.gz LBWBHLKHZCUDJB-UHFFFAOYSA-N 0 0 318.735 4.417 50 0 DIAARN O=C(Nc1onc2c1CCCC2)c1ccc(-c2ccccc2)cc1 ZINC000008976539 563951650 /nfs/dbraw/zinc/95/16/50/563951650.db2.gz WJCNPFUTRQBFOH-UHFFFAOYSA-N 0 0 318.376 4.473 50 0 DIAARN O=C(c1cc(Cl)ccc1F)N1CCCc2ccc(F)cc21 ZINC000040117264 563951658 /nfs/dbraw/zinc/95/16/58/563951658.db2.gz ZZFLNWFEOCZFCQ-UHFFFAOYSA-N 0 0 307.727 4.211 50 0 DIAARN O=C(Nc1onc2c1CCC2)c1cccc(Oc2ccccc2)c1 ZINC000008976428 563951674 /nfs/dbraw/zinc/95/16/74/563951674.db2.gz KQDLEINXSBSCGO-UHFFFAOYSA-N 0 0 320.348 4.208 50 0 DIAARN O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccc(F)cc1 ZINC000040156678 563951685 /nfs/dbraw/zinc/95/16/85/563951685.db2.gz UENNDZCCVZNYIT-UHFFFAOYSA-N 0 0 322.383 4.070 50 0 DIAARN Cc1ccsc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000040156830 563951701 /nfs/dbraw/zinc/95/17/01/563951701.db2.gz IENJLXVQQFRRFB-UHFFFAOYSA-N 0 0 304.390 4.048 50 0 DIAARN O=C(Nc1ccc2ncccc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000009060852 563952057 /nfs/dbraw/zinc/95/20/57/563952057.db2.gz XRBIRJUGUXROIY-UHFFFAOYSA-N 0 0 306.409 4.390 50 0 DIAARN O=C(CCC1CCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000009059753 563952071 /nfs/dbraw/zinc/95/20/71/563952071.db2.gz GTISJLVEZAMXEE-QGZVFWFLSA-N 0 0 311.429 4.197 50 0 DIAARN COc1ccc(C(=O)Nc2cc(C(C)=O)ccc2C2CC2)cc1 ZINC000009028537 563952123 /nfs/dbraw/zinc/95/21/23/563952123.db2.gz LJTRSQOONALISN-UHFFFAOYSA-N 0 0 309.365 4.028 50 0 DIAARN Cc1nc(CN2CCC(Nc3ccccc3Cl)CC2)oc1C ZINC000069351930 563952355 /nfs/dbraw/zinc/95/23/55/563952355.db2.gz PDAYGFVCOLUEET-UHFFFAOYSA-N 0 0 319.836 4.021 50 0 DIAARN COc1ccc2nc(NC(=O)Nc3ccc(C)cc3)sc2c1 ZINC000009090076 563952429 /nfs/dbraw/zinc/95/24/29/563952429.db2.gz LIIXYVAFMDIQBG-UHFFFAOYSA-N 0 0 313.382 4.257 50 0 DIAARN COc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000009112111 563952462 /nfs/dbraw/zinc/95/24/62/563952462.db2.gz XXBQQUGSDWPGTO-UHFFFAOYSA-N 0 0 316.407 4.133 50 0 DIAARN CCSc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cn1 ZINC000069370180 563952509 /nfs/dbraw/zinc/95/25/09/563952509.db2.gz RZMIFHYHTFVQNB-GJZGRUSLSA-N 0 0 316.401 4.075 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc(NCc3ccccn3)cc2)o1 ZINC000069424525 563952882 /nfs/dbraw/zinc/95/28/82/563952882.db2.gz SZKMONVMEMAAHY-UHFFFAOYSA-N 0 0 321.380 4.101 50 0 DIAARN CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(OC)c1 ZINC000069442752 563952885 /nfs/dbraw/zinc/95/28/85/563952885.db2.gz QMCQBBXAQKCREE-KRWDZBQOSA-N 0 0 313.401 4.095 50 0 DIAARN O=C(Nc1ccccc1NC(=O)C1CCCC1)c1cccs1 ZINC000069452732 563953022 /nfs/dbraw/zinc/95/30/22/563953022.db2.gz URIAUDNYHBJGLH-UHFFFAOYSA-N 0 0 314.410 4.129 50 0 DIAARN COc1ccc(NC(=O)c2ccco2)cc1Cc1ccccc1 ZINC000069519263 563953141 /nfs/dbraw/zinc/95/31/41/563953141.db2.gz POETXKGZZAPANA-UHFFFAOYSA-N 0 0 307.349 4.131 50 0 DIAARN Clc1cccc2c1CC[C@H]2Nc1nc(-c2ccccc2)no1 ZINC000069516076 563953166 /nfs/dbraw/zinc/95/31/66/563953166.db2.gz NUKBEDKFCIPMDC-OAHLLOKOSA-N 0 0 311.772 4.489 50 0 DIAARN Cc1ccc2oc(C(=O)N(C)[C@@H](C)c3cccs3)cc2n1 ZINC000069491180 563953249 /nfs/dbraw/zinc/95/32/49/563953249.db2.gz DZHAVOFJMAIAHY-NSHDSACASA-N 0 0 300.383 4.031 50 0 DIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000069514619 563953288 /nfs/dbraw/zinc/95/32/88/563953288.db2.gz FJKAGFYSRFYPFS-YJBOKZPZSA-N 0 0 323.440 4.076 50 0 DIAARN CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 ZINC000009135283 563953447 /nfs/dbraw/zinc/95/34/47/563953447.db2.gz RPNIXFDIHPQSNM-UHFFFAOYSA-N 0 0 313.470 4.174 50 0 DIAARN COCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C(C)C ZINC000069537156 563953459 /nfs/dbraw/zinc/95/34/59/563953459.db2.gz WEQDMQIOLPDWFR-UHFFFAOYSA-N 0 0 316.401 4.177 50 0 DIAARN C[C@H](NC(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000009154582 563953553 /nfs/dbraw/zinc/95/35/53/563953553.db2.gz AIGXBGWDGQYRQE-JTQLQIEISA-N 0 0 322.177 4.079 50 0 DIAARN Cc1cccc2nc(C(=O)Oc3ccc4ccccc4c3)cn21 ZINC000009156740 563953704 /nfs/dbraw/zinc/95/37/04/563953704.db2.gz QSXUNWXCDUJJAG-UHFFFAOYSA-N 0 0 302.333 4.015 50 0 DIAARN CC(C)(C)OCCSc1nnc(-c2ccccc2Cl)o1 ZINC000069587232 563953738 /nfs/dbraw/zinc/95/37/38/563953738.db2.gz YGHXFPPWJCUYJF-UHFFFAOYSA-N 0 0 312.822 4.297 50 0 DIAARN CCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000009194891 563953977 /nfs/dbraw/zinc/95/39/77/563953977.db2.gz LKCXXATZLUHUEK-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)no1 ZINC000009204225 563953999 /nfs/dbraw/zinc/95/39/99/563953999.db2.gz NTRQVPJFIDEPBL-UHFFFAOYSA-N 0 0 319.320 4.044 50 0 DIAARN FC(F)c1nc2ccccc2c(NCCCc2nccs2)n1 ZINC000069631856 563954035 /nfs/dbraw/zinc/95/40/35/563954035.db2.gz RLJAGQXRIOWPDK-UHFFFAOYSA-N 0 0 320.368 4.069 50 0 DIAARN CCOc1ccc(NC(=O)Nc2ccccc2F)cc1OCC ZINC000009218346 563954139 /nfs/dbraw/zinc/95/41/39/563954139.db2.gz XGASQQRJVNRESN-UHFFFAOYSA-N 0 0 318.348 4.267 50 0 DIAARN COCc1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1 ZINC000069663166 563954158 /nfs/dbraw/zinc/95/41/58/563954158.db2.gz PPUDAEDAHSDSLQ-UHFFFAOYSA-N 0 0 323.314 4.042 50 0 DIAARN CC(C)C(=O)Nc1ccc(Nc2ncnc3sccc32)cc1 ZINC000009220544 563954226 /nfs/dbraw/zinc/95/42/26/563954226.db2.gz NLOGQKBZVFECPQ-UHFFFAOYSA-N 0 0 312.398 4.029 50 0 DIAARN COCc1cccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)c1 ZINC000069703680 563954430 /nfs/dbraw/zinc/95/44/30/563954430.db2.gz MKJVCDSZUSBAKH-UHFFFAOYSA-N 0 0 316.401 4.177 50 0 DIAARN Cn1c2ccccc2nc1NCc1ccc(C(F)(F)F)cc1 ZINC000009261970 563954607 /nfs/dbraw/zinc/95/46/07/563954607.db2.gz YTRNGEWNRMMGFY-UHFFFAOYSA-N 0 0 305.303 4.204 50 0 DIAARN CC(C)c1nnc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)o1 ZINC000069811481 563954847 /nfs/dbraw/zinc/95/48/47/563954847.db2.gz ZWGWCOCREUCWLT-QGZVFWFLSA-N 0 0 324.428 4.402 50 0 DIAARN Cc1ccc(C)c([C@H](C)CNC(=O)c2cccc3cccnc32)c1 ZINC000009314990 563954994 /nfs/dbraw/zinc/95/49/94/563954994.db2.gz WJJKZASTASESFC-MRXNPFEDSA-N 0 0 318.420 4.385 50 0 DIAARN COc1ccccc1NC(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000009314435 563955064 /nfs/dbraw/zinc/95/50/64/563955064.db2.gz KSDYPJLJEAROBA-UHFFFAOYSA-N 0 0 312.413 4.483 50 0 DIAARN c1csc(-c2nnc(SCc3ccccn3)n2C2CC2)c1 ZINC000009364438 563955449 /nfs/dbraw/zinc/95/54/49/563955449.db2.gz FIRTVNRJWCZONW-UHFFFAOYSA-N 0 0 314.439 4.029 50 0 DIAARN CN(C(=O)[C@@H]1CC=CCC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069921240 563955454 /nfs/dbraw/zinc/95/54/54/563955454.db2.gz NEIKONAKJJSKLD-BEFAXECRSA-N 0 0 324.399 4.125 50 0 DIAARN C[C@@H](c1ccc(F)cc1)N(C)Cc1nnc(-c2cccs2)o1 ZINC000070009689 563955548 /nfs/dbraw/zinc/95/55/48/563955548.db2.gz CQALLBXIFDLMQQ-NSHDSACASA-N 0 0 317.389 4.130 50 0 DIAARN Cc1ccc(Nc2nnc(SCc3ccccn3)s2)cc1 ZINC000009368096 563955598 /nfs/dbraw/zinc/95/55/98/563955598.db2.gz PKJYLYITDCJNRJ-UHFFFAOYSA-N 0 0 314.439 4.277 50 0 DIAARN CC1CCN(c2nc3ccccc3c(N3CCCCCC3)n2)CC1 ZINC000041149315 563955785 /nfs/dbraw/zinc/95/57/85/563955785.db2.gz GUQUOKSXIXGKGA-UHFFFAOYSA-N 0 0 324.472 4.247 50 0 DIAARN Cc1ccc(NC(=O)CCc2csc(-c3ccncc3)n2)cc1 ZINC000041182981 563955792 /nfs/dbraw/zinc/95/57/92/563955792.db2.gz MAXWRZRNLABNEE-UHFFFAOYSA-N 0 0 323.421 4.085 50 0 DIAARN c1ccc(-c2noc(CCCCc3nc4ccccc4[nH]3)n2)cc1 ZINC000009421576 563955985 /nfs/dbraw/zinc/95/59/85/563955985.db2.gz LBLIFGSAMAJTFG-UHFFFAOYSA-N 0 0 318.380 4.178 50 0 DIAARN CCCCCC(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000009460263 563956132 /nfs/dbraw/zinc/95/61/32/563956132.db2.gz WNZGRXBCLKOBKH-UHFFFAOYSA-N 0 0 322.405 4.477 50 0 DIAARN CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F ZINC000009459865 563956217 /nfs/dbraw/zinc/95/62/17/563956217.db2.gz QGUIPLSIODSXLC-UHFFFAOYSA-N 0 0 310.731 4.282 50 0 DIAARN O=C(Nc1nc2c(s1)CCC2)c1cc2c(s1)CCCCC2 ZINC000009460187 563956253 /nfs/dbraw/zinc/95/62/53/563956253.db2.gz ANESZHWIPQFBRQ-UHFFFAOYSA-N 0 0 318.467 4.215 50 0 DIAARN 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4.203 50 0 DIAARN COc1ccc(Cl)cc1-c1ccc([C@H](C)NC(C)=O)cc1 ZINC000952976097 1051123060 /nfs/dbraw/zinc/12/30/60/1051123060.db2.gz DRGBRKLBMGTLBA-NSHDSACASA-N 0 0 303.789 4.213 50 0 DIAARN Cc1n[nH]c(CN[C@@H](CC(C)(C)C)c2cccnc2)c1Cl ZINC000952963209 1051124039 /nfs/dbraw/zinc/12/40/39/1051124039.db2.gz IBGUVEBOPGUTDO-ZDUSSCGKSA-N 0 0 306.841 4.034 50 0 DIAARN CCCn1c(C)nc2cc(NC(=O)CCC(F)(F)F)ccc21 ZINC000952986968 1051125575 /nfs/dbraw/zinc/12/55/75/1051125575.db2.gz CMSVQXJTJRIFCF-UHFFFAOYSA-N 0 0 313.323 4.036 50 0 DIAARN c1sc([C@@H]2CCCO2)nc1COc1ccc2c(c1)CCC2 ZINC000152708536 1051646591 /nfs/dbraw/zinc/64/65/91/1051646591.db2.gz WQCDRMNAARFZCD-INIZCTEOSA-N 0 0 301.411 4.062 50 0 DIAARN COc1cccc(OC)c1OCCCOc1cccc(Cl)c1 ZINC000002984905 1052285594 /nfs/dbraw/zinc/28/55/94/1052285594.db2.gz NEMPFLZRWPHOIL-UHFFFAOYSA-N 0 0 322.788 4.205 50 0 DIAARN O=C(/C=C\c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000032313271 1052359783 /nfs/dbraw/zinc/35/97/83/1052359783.db2.gz QQVYQPRHMJHHHO-ZROIWOOFSA-N 0 0 306.409 4.329 50 0 DIAARN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1OC(F)F ZINC000033383187 1052754389 /nfs/dbraw/zinc/75/43/89/1052754389.db2.gz HHIXIFGZMBHCEW-GHXNOFRVSA-N 0 0 321.710 4.434 50 0 DIAARN O=c1[nH]c(C=Cc2ccc(Cl)c(Cl)c2)nc2ccccc12 ZINC000033466648 1052778054 /nfs/dbraw/zinc/77/80/54/1052778054.db2.gz OKRBUSCWFNXVKM-VURMDHGXSA-N 0 0 317.175 4.400 50 0 DIAARN CC(=O)c1ccc(OC(=O)C=Cc2cccc(Cl)c2)cc1 ZINC000033472579 1052778471 /nfs/dbraw/zinc/77/84/71/1052778471.db2.gz JKQUKAWUJUNOCP-YHYXMXQVSA-N 0 0 300.741 4.161 50 0 DIAARN Cc1cc(C)c(C(=O)N(C(C)C)[C@@H]2CCCc3cccnc32)o1 ZINC000367191456 1052965181 /nfs/dbraw/zinc/96/51/81/1052965181.db2.gz MFMOEYJXDBXOIY-MRXNPFEDSA-N 0 0 312.413 4.220 50 0 DIAARN COc1ccc(Cl)cc1C(C)(C)NCc1cnc(C2CC2)o1 ZINC000628319082 1053031154 /nfs/dbraw/zinc/03/11/54/1053031154.db2.gz KBMBXWBLKQQTGX-UHFFFAOYSA-N 0 0 320.820 4.239 50 0 DIAARN Cc1ccc(F)cc1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000182514001 1053464220 /nfs/dbraw/zinc/46/42/20/1053464220.db2.gz MNPRPPPTHOCKTF-UHFFFAOYSA-N 0 0 324.399 4.379 50 0 DIAARN Cc1cc2occ(C(=O)Nc3ccnn3[C@H](C)C3CC3)c2cc1C ZINC000184784026 1054180631 /nfs/dbraw/zinc/18/06/31/1054180631.db2.gz PYBCXXVZKOIPEU-CYBMUJFWSA-N 0 0 323.396 4.469 50 0 DIAARN Cc1cc2occ(C(=O)Nc3ccnn3[C@@H](C)C3CC3)c2cc1C ZINC000184784011 1054180642 /nfs/dbraw/zinc/18/06/42/1054180642.db2.gz PYBCXXVZKOIPEU-ZDUSSCGKSA-N 0 0 323.396 4.469 50 0 DIAARN COc1ccc(-c2cc(O)c3cc(OC)c(OC)cc3c2)cc1 ZINC000000490067 1055532859 /nfs/dbraw/zinc/53/28/59/1055532859.db2.gz FXJRFYSQDTZBAZ-UHFFFAOYSA-N 0 0 310.349 4.238 50 0 biogenic DIAARN C[C@@H](Sc1cc(F)ccc1F)C(=O)NC1CCCCCC1 ZINC000007934855 1056464739 /nfs/dbraw/zinc/46/47/39/1056464739.db2.gz UDLYZBZYARMUHX-LLVKDONJSA-N 0 0 313.413 4.284 50 0 DIAARN Cc1oc(-c2ccco2)nc1CN1CCCC[C@@H]1c1ccccn1 ZINC000011932704 1056873845 /nfs/dbraw/zinc/87/38/45/1056873845.db2.gz AHZOFYVRITWNIU-QGZVFWFLSA-N 0 0 323.396 4.365 50 0 DIAARN CCC(CC)c1cc(CN[C@@H]2CCc3ccc(OC)cc32)on1 ZINC000121148674 1057007951 /nfs/dbraw/zinc/00/79/51/1057007951.db2.gz HVNFTSIWHXOXCN-GOSISDBHSA-N 0 0 314.429 4.364 50 0 DIAARN O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccsc1 ZINC000390825937 1057049989 /nfs/dbraw/zinc/04/99/89/1057049989.db2.gz RPOAMYJJFRIZIN-UHFFFAOYSA-N 0 0 319.389 4.315 50 0 DIAARN CN(C)c1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000031205926 1057171543 /nfs/dbraw/zinc/17/15/43/1057171543.db2.gz FKMZZYFGAMHBAK-UHFFFAOYSA-N 0 0 324.424 4.326 50 0 DIAARN Cc1ccc2oc(C(=O)N3CCCCC[C@H]3c3ccco3)cc2n1 ZINC000605647921 1057612328 /nfs/dbraw/zinc/61/23/28/1057612328.db2.gz LXWQZVNAKBDNMO-HNNXBMFYSA-N 0 0 324.380 4.487 50 0 DIAARN C[C@H](NC(=O)/C=C\c1ccn(C)c1)c1cccc2ccccc21 ZINC000606442843 1057613133 /nfs/dbraw/zinc/61/31/33/1057613133.db2.gz RBLRSTTXHZESCA-WOLCWHLNSA-N 0 0 304.393 4.069 50 0 DIAARN CC(C)c1nc(C(=O)Nc2ccc3scnc3c2)cs1 ZINC000171451061 1057639650 /nfs/dbraw/zinc/63/96/50/1057639650.db2.gz NYXAUCRTSKIWIY-UHFFFAOYSA-N 0 0 303.412 4.129 50 0 DIAARN CCCC[C@@H](NC(=O)C1(c2ccccc2)CC1)c1cccnc1 ZINC000822830894 1057810457 /nfs/dbraw/zinc/81/04/57/1057810457.db2.gz DYCQFPWVWWTWKZ-GOSISDBHSA-N 0 0 308.425 4.161 50 0 DIAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1cc(C)oc1C ZINC000822823355 1057811190 /nfs/dbraw/zinc/81/11/90/1057811190.db2.gz RHYWYVFRIQXCBC-QGZVFWFLSA-N 0 0 300.402 4.295 50 0 DIAARN Cc1cc(NC[C@@H]2CCCOC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC001529171725 1058627746 /nfs/dbraw/zinc/62/77/46/1058627746.db2.gz AICOZJMCFQTAMX-LBPRGKRZSA-N 0 0 324.346 4.401 50 0 DIAARN Cc1cnn(C2CCCC2)c1NC(=O)c1ccc2ccn(C)c2c1 ZINC001529174553 1058631429 /nfs/dbraw/zinc/63/14/29/1058631429.db2.gz VNTWQBQOZGHLLP-UHFFFAOYSA-N 0 0 322.412 4.051 50 0 DIAARN CC[C@H](C)n1nc(C)cc1NC(=O)c1cnoc1-c1ccccc1 ZINC001529174259 1058632313 /nfs/dbraw/zinc/63/23/13/1058632313.db2.gz RQEDQSVYRIHUIA-ZDUSSCGKSA-N 0 0 324.384 4.070 50 0 DIAARN CC(C)(C)SCc1nnc2sc(-c3ccccc3F)nn12 ZINC001501040377 1063491853 /nfs/dbraw/zinc/49/18/53/1063491853.db2.gz NIUMWZVZKVHAAF-UHFFFAOYSA-N 0 0 322.434 4.024 50 0 DIAARN Cc1nnc(-c2ccccc2-c2cc(F)cc3cccnc32)o1 ZINC001506416281 1063506437 /nfs/dbraw/zinc/50/64/37/1063506437.db2.gz AMWIKPJJIUISNC-UHFFFAOYSA-N 0 0 305.312 4.399 50 0 DIAARN Cc1ccc(CN(C(=O)[C@H]2CCc3ccccc32)C2CC2)s1 ZINC001506398384 1063507108 /nfs/dbraw/zinc/50/71/08/1063507108.db2.gz BYWBRLLWXUTNQS-SFHVURJKSA-N 0 0 311.450 4.278 50 0 DIAARN Cc1nc([C@@H](C)N(C)C(=O)c2nc(C(C)C)cs2)c(C)s1 ZINC001506403411 1063507152 /nfs/dbraw/zinc/50/71/52/1063507152.db2.gz AYTBYRGPAWFGKD-SECBINFHSA-N 0 0 323.487 4.173 50 0 DIAARN Cc1cccc(CN(C(=O)Cc2ccccn2)C2CCCCC2)c1 ZINC001506398436 1063507177 /nfs/dbraw/zinc/50/71/77/1063507177.db2.gz CNQGAURTGUUCRB-UHFFFAOYSA-N 0 0 322.452 4.294 50 0 DIAARN CN(CC[C@@H]1CCCCO1)c1nc2ccc(Cl)cc2s1 ZINC001506415092 1063508272 /nfs/dbraw/zinc/50/82/72/1063508272.db2.gz VCNQAAKVPXKAHZ-LBPRGKRZSA-N 0 0 310.850 4.345 50 0 DIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)c1nc(C(C)C)cs1 ZINC001506419850 1063510515 /nfs/dbraw/zinc/51/05/15/1063510515.db2.gz YUQGRQIJILEEHS-CYBMUJFWSA-N 0 0 317.458 4.102 50 0 DIAARN Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1Br ZINC000095628804 185382916 /nfs/dbraw/zinc/38/29/16/185382916.db2.gz RQGCJQIAGDDTKJ-UHFFFAOYSA-N 0 0 300.196 4.129 50 0 DIAARN CCCCc1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000096612429 185384505 /nfs/dbraw/zinc/38/45/05/185384505.db2.gz ULJJCQINBLIWMX-WQLSENKSSA-N 0 0 323.392 4.410 50 0 DIAARN O=C(/C=C\c1nc2ccccc2s1)Nc1cc(F)ccc1F ZINC000096620071 185384506 /nfs/dbraw/zinc/38/45/06/185384506.db2.gz FGOVOPCHVOCNSP-FPLPWBNLSA-N 0 0 316.332 4.226 50 0 DIAARN COc1cccc(/C=C\C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000096623683 185384524 /nfs/dbraw/zinc/38/45/24/185384524.db2.gz FFXOHGUJSMPDLG-YHYXMXQVSA-N 0 0 321.298 4.366 50 0 DIAARN O=C(/C=C\c1cccs1)NCCCSc1ccccc1 ZINC000096620030 185384592 /nfs/dbraw/zinc/38/45/92/185384592.db2.gz WEBNPJPHFFLMBO-KTKRTIGZSA-N 0 0 303.452 4.060 50 0 DIAARN O=C(Nc1c(F)cccc1F)N1CCC(c2ccsc2)CC1 ZINC000077103862 185108464 /nfs/dbraw/zinc/10/84/64/185108464.db2.gz LDMPPCMCICLGSX-UHFFFAOYSA-N 0 0 322.380 4.438 50 0 DIAARN O=C(NCC[C@H](O)c1cccc2ccccc21)Nc1ccccc1 ZINC000077118916 185110600 /nfs/dbraw/zinc/11/06/00/185110600.db2.gz YNSVAFZELQZRGI-IBGZPJMESA-N 0 0 320.392 4.085 50 0 DIAARN CCO[C@@H](C)c1nc(CN(C)[C@@H](C)c2cccs2)cs1 ZINC000078824297 185115880 /nfs/dbraw/zinc/11/58/80/185115880.db2.gz PRUSFIRBZBVLOR-RYUDHWBXSA-N 0 0 310.488 4.495 50 0 DIAARN Cc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000078876900 185121666 /nfs/dbraw/zinc/12/16/66/185121666.db2.gz FFVPECXZABNKMA-STQMWFEESA-N 0 0 324.302 4.052 50 0 DIAARN O=C(Nc1ccccc1N1CCCC1)c1cccc2cccnc21 ZINC000078910524 185127334 /nfs/dbraw/zinc/12/73/34/185127334.db2.gz FIPSGQUISUBJSN-UHFFFAOYSA-N 0 0 317.392 4.087 50 0 DIAARN Cn1cc(CCC(=O)Nc2cccc3[nH]ccc32)c2ccccc21 ZINC000079189191 185161175 /nfs/dbraw/zinc/16/11/75/185161175.db2.gz HZHCCGJIQIHQMI-UHFFFAOYSA-N 0 0 317.392 4.231 50 0 biogenic DIAARN CC(C)C[C@@H]1SCC(=O)Nc2c1cnn2-c1ccccc1F ZINC000079484263 185173625 /nfs/dbraw/zinc/17/36/25/185173625.db2.gz LZWPHQMYKIIWHI-AWEZNQCLSA-N 0 0 319.405 4.433 50 0 DIAARN CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000079484172 185173668 /nfs/dbraw/zinc/17/36/68/185173668.db2.gz RLWOTDUWMIPXHH-CYBMUJFWSA-N 0 0 309.435 4.126 50 0 DIAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cnn(-c2ccccc2)c1 ZINC000096891334 185390382 /nfs/dbraw/zinc/39/03/82/185390382.db2.gz KOEPWIMMQBHAQC-PXNMLYILSA-N 0 0 321.767 4.018 50 0 DIAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000096920623 185391374 /nfs/dbraw/zinc/39/13/74/185391374.db2.gz PAPALOKAPVEFTI-KQQSKNTNSA-N 0 0 315.413 4.436 50 0 DIAARN O=C(/C=C\c1cccs1)Nc1nc2c(s1)CCCCC2 ZINC000096937267 185392999 /nfs/dbraw/zinc/39/29/99/185392999.db2.gz KWOXMEIELNGFNA-HJWRWDBZSA-N 0 0 304.440 4.125 50 0 DIAARN O=C(c1ccsc1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612068 185306736 /nfs/dbraw/zinc/30/67/36/185306736.db2.gz ZCFIKQGTGKWBTB-UHFFFAOYSA-N 0 0 303.408 4.245 50 0 DIAARN CC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000000359698 190613620 /nfs/dbraw/zinc/61/36/20/190613620.db2.gz XXNRFLLWEUTAAC-UHFFFAOYSA-N 0 0 322.698 4.385 50 0 DIAARN CCOc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000000466991 190614134 /nfs/dbraw/zinc/61/41/34/190614134.db2.gz DZPDGJXBWWFZTM-UHFFFAOYSA-N 0 0 300.745 4.456 50 0 DIAARN O=C1SC(SCc2ccccc2)=N/C1=C/c1ccco1 ZINC000000467105 190614239 /nfs/dbraw/zinc/61/42/39/190614239.db2.gz WDVHBVGZJCFUEG-UKTHLTGXSA-N 0 0 301.392 4.183 50 0 DIAARN CCCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 ZINC000001269801 190615784 /nfs/dbraw/zinc/61/57/84/190615784.db2.gz YYCCWRVAFICITM-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccs2)on1 ZINC000002465656 190615997 /nfs/dbraw/zinc/61/59/97/190615997.db2.gz IYVALBPZYKWBSB-UHFFFAOYSA-N 0 0 322.748 4.448 50 0 DIAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1C(C)C ZINC000000137278 190612220 /nfs/dbraw/zinc/61/22/20/190612220.db2.gz JYXAMXBZCGNADS-UHFFFAOYSA-N 0 0 301.361 4.275 50 0 DIAARN Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)[nH]n2)cc1C ZINC000006943130 190626555 /nfs/dbraw/zinc/62/65/55/190626555.db2.gz OIKQDXXXNHWAPC-UHFFFAOYSA-N 0 0 323.440 4.314 50 0 DIAARN COC(=O)c1ccc(Oc2ccnc3cc(Cl)ccc32)cc1 ZINC000008147939 190631253 /nfs/dbraw/zinc/63/12/53/190631253.db2.gz GJCFRKUURPLNRC-UHFFFAOYSA-N 0 0 313.740 4.467 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)cc1C ZINC000012344472 190635813 /nfs/dbraw/zinc/63/58/13/190635813.db2.gz ICUCMPJTVQKTAM-UHFFFAOYSA-N 0 0 321.420 4.394 50 0 DIAARN Cc1nnc([C@@H](C)Nc2ccc(SC(F)(F)F)cc2)o1 ZINC000095395911 185352701 /nfs/dbraw/zinc/35/27/01/185352701.db2.gz ZBKBDVIQGWYBBE-SSDOTTSWSA-N 0 0 303.309 4.163 50 0 DIAARN Cc1ccccc1NC(=O)CSc1ncc(C(C)(C)C)o1 ZINC000095416495 185359007 /nfs/dbraw/zinc/35/90/07/185359007.db2.gz HIZCFBKBCWMNPX-UHFFFAOYSA-N 0 0 304.415 4.011 50 0 DIAARN CCCC[C@@H](CC)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000095418242 185359563 /nfs/dbraw/zinc/35/95/63/185359563.db2.gz LMKLPCFMDRXSKF-ZIAGYGMSSA-N 0 0 307.409 4.120 50 0 DIAARN Cc1ccc(F)c(N(C#N)Cc2csc(-c3ccccn3)n2)c1 ZINC000095427890 185362018 /nfs/dbraw/zinc/36/20/18/185362018.db2.gz CZFQOGLCCKFGPV-UHFFFAOYSA-N 0 0 324.384 4.140 50 0 DIAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1cccnc1 ZINC000095429360 185362670 /nfs/dbraw/zinc/36/26/70/185362670.db2.gz OLVZLWQBECTNQL-UHFFFAOYSA-N 0 0 313.401 4.349 50 0 DIAARN CSCCc1ccc(NCc2ccc(NC(C)=O)cc2)cc1 ZINC000095429010 185362689 /nfs/dbraw/zinc/36/26/89/185362689.db2.gz UPLHYRHPAWKDTE-UHFFFAOYSA-N 0 0 314.454 4.163 50 0 DIAARN CC(C)(C)SCCCC(=O)N1CCC[C@H]1c1ccncc1 ZINC000095435862 185364992 /nfs/dbraw/zinc/36/49/92/185364992.db2.gz CHCVZFJDCJXMGF-HNNXBMFYSA-N 0 0 306.475 4.057 50 0 DIAARN Cc1cc(OCc2nnc(-c3ccccc3)n2C)ccc1Cl ZINC000095444781 185366940 /nfs/dbraw/zinc/36/69/40/185366940.db2.gz BOAHZFONNZMYQO-UHFFFAOYSA-N 0 0 313.788 4.023 50 0 DIAARN C[C@H]1CCc2ccccc2[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000095447240 185367834 /nfs/dbraw/zinc/36/78/34/185367834.db2.gz LGWIBPBCQNGZPC-HZMBPMFUSA-N 0 0 307.319 4.231 50 0 DIAARN Cc1ccc(CNc2cc(C[S@@](C)=O)ccc2Cl)c(C)c1 ZINC000095455310 185369666 /nfs/dbraw/zinc/36/96/66/185369666.db2.gz HVFXKLJBOQAVGE-NRFANRHFSA-N 0 0 321.873 4.447 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)NC2CCCCCCC2)cc1 ZINC000015613420 190640604 /nfs/dbraw/zinc/64/06/04/190640604.db2.gz HKIHZAZFNLQXDY-UHFFFAOYSA-N 0 0 301.430 4.187 50 0 DIAARN CC[C@H](c1ccccc1)[S@](=O)Cc1cn2c(cccc2C)n1 ZINC000095440963 185366226 /nfs/dbraw/zinc/36/62/26/185366226.db2.gz JJIZLFSFXSABBK-VGSWGCGISA-N 0 0 312.438 4.043 50 0 DIAARN Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)o1 ZINC000095440387 185366284 /nfs/dbraw/zinc/36/62/84/185366284.db2.gz OOUWKSWYLJSHPY-NSHDSACASA-N 0 0 321.446 4.013 50 0 DIAARN CC(C)CSCCNc1ccccc1C(=O)NC(C)(C)C ZINC000095454346 185369866 /nfs/dbraw/zinc/36/98/66/185369866.db2.gz CJWRXXGLBAVNDZ-UHFFFAOYSA-N 0 0 308.491 4.016 50 0 DIAARN CC(=O)c1cccc(NC(=O)N2CCCC[C@H]3CCCC[C@@H]32)c1 ZINC000095457595 185370352 /nfs/dbraw/zinc/37/03/52/185370352.db2.gz GDURBYDPCJDRSB-QAPCUYQASA-N 0 0 314.429 4.466 50 0 DIAARN CCc1cnccc1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000095468153 185372200 /nfs/dbraw/zinc/37/22/00/185372200.db2.gz DUOWKMIZENGYAK-HXUWFJFHSA-N 0 0 320.436 4.326 50 0 DIAARN Brc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1 ZINC000095472061 185372655 /nfs/dbraw/zinc/37/26/55/185372655.db2.gz FDTHVBCXOQLFDQ-UHFFFAOYSA-N 0 0 318.174 4.044 50 0 DIAARN Cc1cc2cccnc2c(N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000097038504 185401450 /nfs/dbraw/zinc/40/14/50/185401450.db2.gz DAYKRWNQNOTUMP-PSLXWICFSA-N 0 0 324.449 4.454 50 0 DIAARN CC1=CC[C@@]([Si](C)(C)C)(S(=O)(=O)c2ccccc2)CC1 ZINC000169827927 197760235 /nfs/dbraw/zinc/76/02/35/197760235.db2.gz VHUTWXKNKPSEPQ-INIZCTEOSA-N 0 0 308.519 4.207 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2c(F)cccc2Cl)[C@H]1C ZINC000107615342 185485727 /nfs/dbraw/zinc/48/57/27/185485727.db2.gz CRIVOBJCBMEMDD-KXWPVXJSSA-N 0 0 309.812 4.433 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)on1 ZINC000064985024 190706760 /nfs/dbraw/zinc/70/67/60/190706760.db2.gz XJOMLSQKVQRKSU-MRXNPFEDSA-N 0 0 313.401 4.223 50 0 DIAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2)no1 ZINC000064984786 190706787 /nfs/dbraw/zinc/70/67/87/190706787.db2.gz UUCHUSPRNSEOFE-KRWDZBQOSA-N 0 0 313.401 4.305 50 0 DIAARN O=[S@@](Cc1csc(C2CCCC2)n1)Cc1cccc(F)c1 ZINC000069743426 190811804 /nfs/dbraw/zinc/81/18/04/190811804.db2.gz PKNWAKCTRSVHHZ-NRFANRHFSA-N 0 0 323.458 4.389 50 0 DIAARN C[C@H](c1cccnc1)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000069848917 190829088 /nfs/dbraw/zinc/82/90/88/190829088.db2.gz PFGVITSCNSIOBD-BEFAXECRSA-N 0 0 323.440 4.325 50 0 DIAARN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccncc1 ZINC000070727096 190914942 /nfs/dbraw/zinc/91/49/42/190914942.db2.gz YHROCOCAJGKBJF-CYBMUJFWSA-N 0 0 300.427 4.073 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(F)cc1Cl ZINC000071279517 190951636 /nfs/dbraw/zinc/95/16/36/190951636.db2.gz DGTVZPPFRDWTBA-NSHDSACASA-N 0 0 307.756 4.380 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2C1=Cc2ccccc2OC1 ZINC000071283383 190952455 /nfs/dbraw/zinc/95/24/55/190952455.db2.gz JHGBZJIBWGCITE-CQSZACIVSA-N 0 0 309.369 4.015 50 0 DIAARN Cc1ccc2ccccc2c1CN1CC[C@@]2(CCCO2)CCC1=O ZINC000071711883 191010722 /nfs/dbraw/zinc/01/07/22/191010722.db2.gz YYLCSFRVSWYXPS-OAQYLSRUSA-N 0 0 323.436 4.210 50 0 DIAARN CCCCOc1ccc(OC)cc1NCc1nc(C)c(C)o1 ZINC000084491388 192433361 /nfs/dbraw/zinc/43/33/61/192433361.db2.gz VYNBFTGNIGBEEJ-UHFFFAOYSA-N 0 0 304.390 4.091 50 0 DIAARN FC(F)(F)CCc1ccnc(-c2cccc3cccnc32)n1 ZINC000071746533 191019351 /nfs/dbraw/zinc/01/93/51/191019351.db2.gz VMWOGVQUFVKSBS-UHFFFAOYSA-N 0 0 303.287 4.187 50 0 DIAARN Cc1cccc(C)c1OC[C@@H](C)n1ccnc1-c1cccnc1 ZINC000071750711 191022732 /nfs/dbraw/zinc/02/27/32/191022732.db2.gz FIJSRZXUOGUAQT-MRXNPFEDSA-N 0 0 307.397 4.202 50 0 DIAARN Cc1cc(C2CCC2)nc(N[C@@H](c2ncccc2C)C2CC2)n1 ZINC000071754408 191024612 /nfs/dbraw/zinc/02/46/12/191024612.db2.gz ZGGLDOFLKAYIAK-GOSISDBHSA-N 0 0 308.429 4.319 50 0 DIAARN FC(F)(F)CCc1ccnc(-c2cccc3cnccc32)n1 ZINC000071756802 191025070 /nfs/dbraw/zinc/02/50/70/191025070.db2.gz SEXSNSMGNWLVDS-UHFFFAOYSA-N 0 0 303.287 4.187 50 0 DIAARN Cc1sc(N2CCSCC2)nc1-c1cc(C)ccc1C ZINC000072078672 191034020 /nfs/dbraw/zinc/03/40/20/191034020.db2.gz PRYAKWLKEWSHLM-UHFFFAOYSA-N 0 0 304.484 4.289 50 0 DIAARN O=C(COC1CCCCC1)Nc1ccc(-c2ccccc2)cn1 ZINC000084562664 192441241 /nfs/dbraw/zinc/44/12/41/192441241.db2.gz GASPAAVRGNBWFA-UHFFFAOYSA-N 0 0 310.397 4.036 50 0 DIAARN Cc1ccc(-c2ccnc(N[C@@H]3C[C@H]3c3ccccc3)n2)c(C)n1 ZINC000071767753 191029251 /nfs/dbraw/zinc/02/92/51/191029251.db2.gz IPDVIWCEQJBFDH-PKOBYXMFSA-N 0 0 316.408 4.123 50 0 DIAARN COc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000071770114 191030039 /nfs/dbraw/zinc/03/00/39/191030039.db2.gz BXKIRTKHKOFCQJ-SFTDATJTSA-N 0 0 319.404 4.130 50 0 DIAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000072116021 191038142 /nfs/dbraw/zinc/03/81/42/191038142.db2.gz VDIUSAJPBJGQPG-MRXNPFEDSA-N 0 0 309.413 4.089 50 0 DIAARN CN(Cc1cc(-c2ccccc2)no1)Cc1cccc(F)c1F ZINC000072129528 191043419 /nfs/dbraw/zinc/04/34/19/191043419.db2.gz SYUDJFGIIQUGPM-UHFFFAOYSA-N 0 0 314.335 4.252 50 0 DIAARN CC(C)c1cc(NCc2ccc(F)cc2Cl)n2nccc2n1 ZINC000072151128 191055959 /nfs/dbraw/zinc/05/59/59/191055959.db2.gz YVOIGQZNZMVPRG-UHFFFAOYSA-N 0 0 318.783 4.257 50 0 DIAARN c1cc2c(nc(NCc3cccnc3)cc2-c2ccsc2)[nH]1 ZINC000072163278 191063585 /nfs/dbraw/zinc/06/35/85/191063585.db2.gz RCQUQGPXESCLKY-UHFFFAOYSA-N 0 0 306.394 4.299 50 0 DIAARN CCCCn1c(C)c(C(=O)OC)c2cc(O)c3ccccc3c21 ZINC000142995843 186033492 /nfs/dbraw/zinc/03/34/92/186033492.db2.gz KGMZHMYBXYNEGE-UHFFFAOYSA-N 0 0 311.381 4.395 50 0 DIAARN COc1ccccc1Oc1ccc(C(=O)NCc2ccccc2)o1 ZINC000072265333 191089990 /nfs/dbraw/zinc/08/99/90/191089990.db2.gz IKSHARYPFFVNLV-UHFFFAOYSA-N 0 0 323.348 4.011 50 0 DIAARN Cc1cc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)no1 ZINC000072272321 191093812 /nfs/dbraw/zinc/09/38/12/191093812.db2.gz OQWUREVIGNSCRF-MRXNPFEDSA-N 0 0 311.385 4.057 50 0 DIAARN CCc1ccccc1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000072282506 191102693 /nfs/dbraw/zinc/10/26/93/191102693.db2.gz LCDWCQSYDSOALT-UHFFFAOYSA-N 0 0 311.385 4.160 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2F)c1 ZINC000072282512 191102727 /nfs/dbraw/zinc/10/27/27/191102727.db2.gz GLZJRANXWJQIJN-UHFFFAOYSA-N 0 0 321.739 4.082 50 0 DIAARN C[C@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000072284772 191104091 /nfs/dbraw/zinc/10/40/91/191104091.db2.gz SLLUEYFFWYAWMX-HIFRSBDPSA-N 0 0 306.475 4.066 50 0 DIAARN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1nc(C2CC2)cs1 ZINC000072289033 191107774 /nfs/dbraw/zinc/10/77/74/191107774.db2.gz ZUDTZIKURFCQSV-QKCSRTOESA-N 0 0 305.447 4.205 50 0 DIAARN CC[C@H](C)c1cc(C(=O)N2CCCC[C@@H]2c2nccs2)on1 ZINC000072295645 191111671 /nfs/dbraw/zinc/11/16/71/191111671.db2.gz OGEYYAWOJTXNLI-WCQYABFASA-N 0 0 319.430 4.012 50 0 DIAARN c1cc(Cc2noc([C@H]3C[C@H]3c3cccc4ccccc43)n2)no1 ZINC000225595146 186281238 /nfs/dbraw/zinc/28/12/38/186281238.db2.gz MQXGDIOHEXSKFV-IRXDYDNUSA-N 0 0 317.348 4.073 50 0 DIAARN CCC[C@H](NCc1sccc1Cl)c1nnc2ccccn21 ZINC000225610081 186283163 /nfs/dbraw/zinc/28/31/63/186283163.db2.gz IODYEEFRAWEUJO-LBPRGKRZSA-N 0 0 320.849 4.075 50 0 DIAARN O=C(/C=C/c1ccccc1)NCc1cccnc1-c1ccsc1 ZINC000225644362 186286366 /nfs/dbraw/zinc/28/63/66/186286366.db2.gz ROOVBUMLWHCKPE-CMDGGOBGSA-N 0 0 320.417 4.140 50 0 DIAARN CCCc1ccc(C(=O)NCc2ccnc(-c3ccco3)c2)cc1 ZINC000225654328 186287392 /nfs/dbraw/zinc/28/73/92/186287392.db2.gz FTZLFLCPNUTHEI-UHFFFAOYSA-N 0 0 320.392 4.224 50 0 DIAARN CCCc1ccc(C(=O)NCc2cccnc2-c2ccco2)cc1 ZINC000225659600 186287467 /nfs/dbraw/zinc/28/74/67/186287467.db2.gz OAKOXVACURQLQW-UHFFFAOYSA-N 0 0 320.392 4.224 50 0 DIAARN CC[C@@H](O)CCCNC(=O)c1sccc1-c1ccc(C)cc1 ZINC000072306626 191117650 /nfs/dbraw/zinc/11/76/50/191117650.db2.gz LSJBMGHPJNTGPA-OAHLLOKOSA-N 0 0 317.454 4.004 50 0 DIAARN CC(=O)c1cccc(NC(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC000072311244 191120000 /nfs/dbraw/zinc/12/00/00/191120000.db2.gz PCIUVYYTIZPYLR-UHFFFAOYSA-N 0 0 314.429 4.464 50 0 DIAARN Cn1ccc2c1cccc2NC(=O)CCn1ccc2ccccc21 ZINC000072324730 191123517 /nfs/dbraw/zinc/12/35/17/191123517.db2.gz YSJLIVSHHPYQRY-UHFFFAOYSA-N 0 0 317.392 4.162 50 0 biogenic DIAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000072331639 191125282 /nfs/dbraw/zinc/12/52/82/191125282.db2.gz MCRHCOVNSWRPJD-HNNXBMFYSA-N 0 0 305.299 4.123 50 0 DIAARN Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1F ZINC000072331745 191125314 /nfs/dbraw/zinc/12/53/14/191125314.db2.gz GMABCQQPFFVSFV-UHFFFAOYSA-N 0 0 311.278 4.083 50 0 DIAARN CC(=O)c1c(C)n(CCc2c[nH]c3ccccc23)c(C)c1C(C)=O ZINC000000033687 180672643 /nfs/dbraw/zinc/67/26/43/180672643.db2.gz UIBVHIQMRIURCE-UHFFFAOYSA-N 0 0 322.408 4.234 50 0 biogenic DIAARN COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000000058001 180679939 /nfs/dbraw/zinc/67/99/39/180679939.db2.gz HHPVTMBAANTAKT-UHFFFAOYSA-N 0 0 300.741 4.430 50 0 DIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCCC1 ZINC000000063572 180681200 /nfs/dbraw/zinc/68/12/00/180681200.db2.gz URZHEBPMFRWYSZ-UHFFFAOYSA-N 0 0 309.431 4.060 50 0 DIAARN CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000000063952 180681249 /nfs/dbraw/zinc/68/12/49/180681249.db2.gz OTWHVWSRHXODOH-LFYBBSHMSA-N 0 0 301.773 4.391 50 0 DIAARN CCc1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000063616 180681521 /nfs/dbraw/zinc/68/15/21/180681521.db2.gz LAOSBEYZUQHECB-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN O=C1N=C(Nc2cccc(Cl)c2)C(=Cc2ccncc2)S1 ZINC000072400838 191150720 /nfs/dbraw/zinc/15/07/20/191150720.db2.gz WECNOWZVSOSIKO-JYRVWZFOSA-N 0 0 315.785 4.453 50 0 DIAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)c1ccco1 ZINC000072401545 191151213 /nfs/dbraw/zinc/15/12/13/191151213.db2.gz VHXUDQWSPGHSTQ-UHFFFAOYSA-N 0 0 319.320 4.201 50 0 DIAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)C1CCCC1 ZINC000072401693 191151352 /nfs/dbraw/zinc/15/13/52/191151352.db2.gz RKFLAISCECALMI-UHFFFAOYSA-N 0 0 321.380 4.484 50 0 DIAARN C[C@@H](c1ccon1)N(C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072418136 191156812 /nfs/dbraw/zinc/15/68/12/191156812.db2.gz UVVXGCSQOFNGNC-LBPRGKRZSA-N 0 0 322.368 4.004 50 0 DIAARN O=C(Nc1cccnc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000000069874 180683728 /nfs/dbraw/zinc/68/37/28/180683728.db2.gz RFNABVWZJSSADV-UHFFFAOYSA-N 0 0 306.390 4.161 50 0 DIAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccs1 ZINC000000075467 180685276 /nfs/dbraw/zinc/68/52/76/180685276.db2.gz UXBMRQZAXMDSOZ-UHFFFAOYSA-N 0 0 315.316 4.418 50 0 DIAARN Fc1ccc(CSc2nnc3sc4ccccc4n23)cc1 ZINC000000091733 180690033 /nfs/dbraw/zinc/69/00/33/180690033.db2.gz QFALSTLBBIMCIJ-UHFFFAOYSA-N 0 0 315.398 4.375 50 0 DIAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000000101094 180692600 /nfs/dbraw/zinc/69/26/00/180692600.db2.gz HDZOEGPWXKIMGB-UHFFFAOYSA-N 0 0 301.361 4.141 50 0 DIAARN C[C@@H]1CN(c2nc3c(cc(Cl)cc3Cl)s2)C[C@@H](C)O1 ZINC000000105868 180695062 /nfs/dbraw/zinc/69/50/62/180695062.db2.gz FFVLNQJCQNJHDD-HTQZYQBOSA-N 0 0 317.241 4.217 50 0 DIAARN O=C(c1cccc(-c2ccco2)c1)N1CCC[C@H]1c1ccccn1 ZINC000072427244 191160967 /nfs/dbraw/zinc/16/09/67/191160967.db2.gz NIJWVDVGKKCGJV-SFHVURJKSA-N 0 0 318.376 4.319 50 0 DIAARN CC(C)(C)C(=O)n1cc2c(n1)-c1cc(Cl)ccc1SC2 ZINC000000107788 180695655 /nfs/dbraw/zinc/69/56/55/180695655.db2.gz BWVFASDTIXKCDO-UHFFFAOYSA-N 0 0 306.818 4.496 50 0 DIAARN O=C(c1cccc(-c2ccco2)c1)N1CCC[C@@H]1c1ccccn1 ZINC000072427245 191161736 /nfs/dbraw/zinc/16/17/36/191161736.db2.gz NIJWVDVGKKCGJV-GOSISDBHSA-N 0 0 318.376 4.319 50 0 DIAARN Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000107173 180695986 /nfs/dbraw/zinc/69/59/86/180695986.db2.gz MRZOETDLMHTGJW-OAHLLOKOSA-N 0 0 320.367 4.233 50 0 DIAARN CC1CCC(OC(=O)CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000136030 180704565 /nfs/dbraw/zinc/70/45/65/180704565.db2.gz DQQJYMVKPKXYGQ-UHFFFAOYSA-N 0 0 323.820 4.181 50 0 DIAARN O=C(COc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl ZINC000000135976 180704597 /nfs/dbraw/zinc/70/45/97/180704597.db2.gz GESKHJCISQFSJX-UHFFFAOYSA-N 0 0 314.143 4.150 50 0 DIAARN Cc1cc(OCC(=O)Nc2ccccc2F)ccc1C(C)C ZINC000000142390 180706671 /nfs/dbraw/zinc/70/66/71/180706671.db2.gz VFDVLPVGIQGXEP-UHFFFAOYSA-N 0 0 301.361 4.275 50 0 DIAARN CC(C)c1ccc(NC(=O)c2cc(F)cc3c2OCOC3)cc1 ZINC000000130136 180702823 /nfs/dbraw/zinc/70/28/23/180702823.db2.gz ZVFLDDHEHHMYBL-UHFFFAOYSA-N 0 0 315.344 4.068 50 0 DIAARN O=C(c1ccc2occc2c1)N1CC=C(c2ccccc2)CC1 ZINC000000130020 180702953 /nfs/dbraw/zinc/70/29/53/180702953.db2.gz JQRVQRTYWBJAFR-UHFFFAOYSA-N 0 0 303.361 4.362 50 0 DIAARN CCc1cc(NCc2ccc3cc[nH]c3c2)n2nc(C)c(C)c2n1 ZINC000072463068 191172152 /nfs/dbraw/zinc/17/21/52/191172152.db2.gz FSQSKQBFDABCNX-UHFFFAOYSA-N 0 0 319.412 4.002 50 0 DIAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CC ZINC000000149461 180709374 /nfs/dbraw/zinc/70/93/74/180709374.db2.gz RDGXPKOWOGPWDY-UHFFFAOYSA-N 0 0 321.373 4.079 50 0 DIAARN CN(CCc1ccccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000000155733 180711182 /nfs/dbraw/zinc/71/11/82/180711182.db2.gz AOKXNZKMZOZEMR-UHFFFAOYSA-N 0 0 311.429 4.086 50 0 DIAARN COc1cc(C=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000000169570 180713774 /nfs/dbraw/zinc/71/37/74/180713774.db2.gz CRFMIKVKMCYUNP-UHFFFAOYSA-N 0 0 310.271 4.106 50 0 DIAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cn1 ZINC000000170977 180713786 /nfs/dbraw/zinc/71/37/86/180713786.db2.gz HDVBKUAELRXEJJ-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN O=C(c1csc(Cc2ccccc2)n1)N1CCCCCCC1 ZINC000072478816 191180303 /nfs/dbraw/zinc/18/03/03/191180303.db2.gz CSTBVUNQGNSSIY-UHFFFAOYSA-N 0 0 314.454 4.140 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](C)C1 ZINC000000196255 180722397 /nfs/dbraw/zinc/72/23/97/180722397.db2.gz GJHQTMLCQDWKHH-NSHDSACASA-N 0 0 318.804 4.176 50 0 DIAARN CC(=O)OC[C@@]12CO[C@H](c3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000000227731 180732259 /nfs/dbraw/zinc/73/22/59/180732259.db2.gz VCHXOWGOUYSRMD-OBNKQFAMSA-N 0 0 314.425 4.156 50 0 biogenic DIAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000000226941 180732489 /nfs/dbraw/zinc/73/24/89/180732489.db2.gz AODCMTMDNAGTHN-JXMROGBWSA-N 0 0 301.773 4.309 50 0 DIAARN CSc1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000000262031 180741346 /nfs/dbraw/zinc/74/13/46/180741346.db2.gz HSKFALXXVPKECO-UHFFFAOYSA-N 0 0 323.211 4.390 50 0 DIAARN CCc1cccc(NC(=S)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000000263606 180741633 /nfs/dbraw/zinc/74/16/33/180741633.db2.gz PZVSELRBAXGMPQ-QGZVFWFLSA-N 0 0 310.466 4.435 50 0 DIAARN Cc1cc(C)cc(NC(=S)N2CC[C@H](c3ccccc3)C2)c1 ZINC000000263575 180742035 /nfs/dbraw/zinc/74/20/35/180742035.db2.gz IHDVKFJLLXJBPP-KRWDZBQOSA-N 0 0 310.466 4.490 50 0 DIAARN S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000000282171 180746710 /nfs/dbraw/zinc/74/67/10/180746710.db2.gz WUFSIDXHZXRVAW-UHFFFAOYSA-N 0 0 310.466 4.338 50 0 DIAARN O=c1oc2ccccc2cc1-c1csc(-c2ccc(O)cc2)n1 ZINC000000285833 180748007 /nfs/dbraw/zinc/74/80/07/180748007.db2.gz CKRZSJOKBRWAMX-UHFFFAOYSA-N 0 0 321.357 4.289 50 0 DIAARN O=C(Oc1ccc(Cl)cc1Cl)c1c(F)cccc1F ZINC000000297466 180751255 /nfs/dbraw/zinc/75/12/55/180751255.db2.gz OBQMOWXFZCPKPB-UHFFFAOYSA-N 0 0 303.091 4.491 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000000311944 180756359 /nfs/dbraw/zinc/75/63/59/180756359.db2.gz WLZMYANZEVRVNW-SNVBAGLBSA-N 0 0 322.177 4.079 50 0 DIAARN CCOc1cccc(=O)c2c(C)n(-c3ccc(C)cc3)c(C)c21 ZINC000000297698 180751305 /nfs/dbraw/zinc/75/13/05/180751305.db2.gz YGOAJCJLRGBPMJ-UHFFFAOYSA-N 0 0 307.393 4.315 50 0 biogenic DIAARN O=C1c2ccccc2C(=O)N1c1ccccc1SC(F)(F)F ZINC000000344688 180761979 /nfs/dbraw/zinc/76/19/79/180761979.db2.gz YOJWBRRYZLIIRC-UHFFFAOYSA-N 0 0 323.295 4.099 50 0 DIAARN CC(C)(C)c1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 ZINC000000342884 180762385 /nfs/dbraw/zinc/76/23/85/180762385.db2.gz PWXOXUZZOQNLIC-SFQUDFHCSA-N 0 0 323.367 4.468 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2C)cc1 ZINC000000345550 180762618 /nfs/dbraw/zinc/76/26/18/180762618.db2.gz FJQVWYOOHQLCMK-UHFFFAOYSA-N 0 0 317.454 4.402 50 0 DIAARN Cc1ccc(C)c(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c1 ZINC000000325405 180760194 /nfs/dbraw/zinc/76/01/94/180760194.db2.gz OUNNXVGJKQENSL-MHWRWJLKSA-N 0 0 311.768 4.301 50 0 DIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(C)o1 ZINC000000371572 180769587 /nfs/dbraw/zinc/76/95/87/180769587.db2.gz BYQHQVMVZUAMLN-UHFFFAOYSA-N 0 0 321.398 4.202 50 0 DIAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)s1 ZINC000000374892 180770575 /nfs/dbraw/zinc/77/05/75/180770575.db2.gz UJSMFAANBHFDJG-UHFFFAOYSA-N 0 0 311.332 4.347 50 0 DIAARN O=C(OCc1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000000381333 180772102 /nfs/dbraw/zinc/77/21/02/180772102.db2.gz SLTMTRIXKJHLCR-UHFFFAOYSA-N 0 0 303.770 4.307 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000000383551 180773015 /nfs/dbraw/zinc/77/30/15/180773015.db2.gz HIKMEGALMGLENL-UHFFFAOYSA-N 0 0 324.605 4.284 50 0 DIAARN O=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000000386273 180774198 /nfs/dbraw/zinc/77/41/98/180774198.db2.gz VVJWPKLEGJSIJG-UHFFFAOYSA-N 0 0 324.723 4.163 50 0 DIAARN O=C(Oc1ccc(Cl)cc1Br)c1cccs1 ZINC000000359031 180766258 /nfs/dbraw/zinc/76/62/58/180766258.db2.gz NFOMIQYWXSWQIN-UHFFFAOYSA-N 0 0 317.591 4.383 50 0 DIAARN O=C(NCCC1=CCCCC1)c1ccc(Br)cc1 ZINC000000362496 180766972 /nfs/dbraw/zinc/76/69/72/180766972.db2.gz OTTNWIHSQOUADU-UHFFFAOYSA-N 0 0 308.219 4.069 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccncc1 ZINC000000363724 180767097 /nfs/dbraw/zinc/76/70/97/180767097.db2.gz LYKRBRFNNSDGIH-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN CCOC(=O)c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 ZINC000000365569 180768080 /nfs/dbraw/zinc/76/80/80/180768080.db2.gz LMMUHSLSKXOZNG-UHFFFAOYSA-N 0 0 309.793 4.036 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000000407537 180778472 /nfs/dbraw/zinc/77/84/72/180778472.db2.gz REVHRXIGPSFHEQ-ZDUSSCGKSA-N 0 0 302.805 4.483 50 0 DIAARN CCc1cc2c(cc1OC)occ(-c1ccc(OC)cc1)c2=O ZINC000000407282 180778729 /nfs/dbraw/zinc/77/87/29/180778729.db2.gz QMDCRBWDRCCZTI-UHFFFAOYSA-N 0 0 310.349 4.040 50 0 biogenic DIAARN O=C1N[C@H](C(c2ccccc2)c2ccccc2)Nc2ccccc21 ZINC000000410297 180779209 /nfs/dbraw/zinc/77/92/09/180779209.db2.gz VGFYVSKJJROGRL-HXUWFJFHSA-N 0 0 314.388 4.000 50 0 DIAARN O=C(Nc1cccc(Br)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000409455 180779340 /nfs/dbraw/zinc/77/93/40/180779340.db2.gz WMBYMNJEMSNTLP-LSDHHAIUSA-N 0 0 316.198 4.191 50 0 DIAARN Cc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 ZINC000000443155 180792230 /nfs/dbraw/zinc/79/22/30/180792230.db2.gz UZKYEHBLJZGEPW-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cccc(Cl)c1 ZINC000000430959 180789285 /nfs/dbraw/zinc/78/92/85/180789285.db2.gz VCBWKVBWSPDNOQ-HMSDUJDUSA-N 0 0 309.752 4.350 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1C ZINC000000423787 180784989 /nfs/dbraw/zinc/78/49/89/180784989.db2.gz CWUCUIWSUNBHHX-KRWDZBQOSA-N 0 0 301.386 4.221 50 0 DIAARN Cc1ccc(F)cc1N1C(=O)CS[C@@H]1c1ccccc1F ZINC000000423996 180785086 /nfs/dbraw/zinc/78/50/86/180785086.db2.gz BNPXRXRTAPYGCR-MRXNPFEDSA-N 0 0 305.349 4.052 50 0 DIAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000000455849 180796499 /nfs/dbraw/zinc/79/64/99/180796499.db2.gz QHKSGJQQMORPTR-UHFFFAOYSA-N 0 0 324.605 4.284 50 0 DIAARN Cc1cc(OCc2nc(-c3ccccc3)no2)ccc1Cl ZINC000000455405 180796550 /nfs/dbraw/zinc/79/65/50/180796550.db2.gz RJKDMKWAHSJFTP-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000000459018 180797339 /nfs/dbraw/zinc/79/73/39/180797339.db2.gz UKWNHDXVKHGEBC-VGOFMYFVSA-N 0 0 311.381 4.136 50 0 DIAARN OCc1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1 ZINC000072912182 191250130 /nfs/dbraw/zinc/25/01/30/191250130.db2.gz VCFLSXSYKDGGFF-UHFFFAOYSA-N 0 0 320.801 4.161 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000000466418 180799743 /nfs/dbraw/zinc/79/97/43/180799743.db2.gz JRWAILAMARFHDK-STQMWFEESA-N 0 0 309.837 4.002 50 0 DIAARN Cc1ccc(C)c(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000000449756 180795027 /nfs/dbraw/zinc/79/50/27/180795027.db2.gz SIEWUALBUDBRTF-UHFFFAOYSA-N 0 0 318.214 4.247 50 0 DIAARN COc1c(Cl)cc(C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000000452054 180795446 /nfs/dbraw/zinc/79/54/46/180795446.db2.gz WGEKORMKSLAUQC-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1C ZINC000000452108 180795590 /nfs/dbraw/zinc/79/55/90/180795590.db2.gz OMDKIHMXNBQQJT-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN Cc1c(C)c(NC(=O)c2ccccc2)ccc1Br ZINC000000474023 180801929 /nfs/dbraw/zinc/80/19/29/180801929.db2.gz NMKCOISUXXOYQQ-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 ZINC000000474221 180802289 /nfs/dbraw/zinc/80/22/89/180802289.db2.gz CMGNTWVPYVCHQL-UHFFFAOYSA-N 0 0 301.817 4.436 50 0 DIAARN Cc1noc(C)c1[C@@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000072946926 191255769 /nfs/dbraw/zinc/25/57/69/191255769.db2.gz MQSUIICVVUWGJC-MRVPVSSYSA-N 0 0 302.403 4.086 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)CC)CCCC2 ZINC000000477677 180803949 /nfs/dbraw/zinc/80/39/49/180803949.db2.gz UJEMEKRRZXKJPA-UHFFFAOYSA-N 0 0 323.458 4.178 50 0 DIAARN CCc1c(C)sc(NC(=O)C2C(C)(C)C2(C)C)c1C(=O)OC ZINC000000483971 180805187 /nfs/dbraw/zinc/80/51/87/180805187.db2.gz ZLBGBBODSNGDPK-UHFFFAOYSA-N 0 0 323.458 4.026 50 0 DIAARN CCC(CC)C(=O)Nc1cccc(NC(=O)C(CC)CC)c1 ZINC000000484422 180805544 /nfs/dbraw/zinc/80/55/44/180805544.db2.gz NSHLUBWSJMNLTE-UHFFFAOYSA-N 0 0 304.434 4.436 50 0 DIAARN CN1N=Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000000494720 180806746 /nfs/dbraw/zinc/80/67/46/180806746.db2.gz FLBLHLXTQJJTCS-AWEZNQCLSA-N 0 0 302.175 4.483 50 0 DIAARN Nc1cccc2c(NC(=O)[C@H]3C[C@H]3c3ccccc3)cccc12 ZINC000000492745 180806775 /nfs/dbraw/zinc/80/67/75/180806775.db2.gz LXFWPKWRSTYWCW-IRXDYDNUSA-N 0 0 302.377 4.164 50 0 DIAARN CC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000000493258 180806936 /nfs/dbraw/zinc/80/69/36/180806936.db2.gz KZQBSKIMEYVZTC-UHFFFAOYSA-N 0 0 319.360 4.060 50 0 DIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000084923914 192474464 /nfs/dbraw/zinc/47/44/64/192474464.db2.gz NNTFSKVPDHOQGX-UHOSZYNNSA-N 0 0 319.404 4.068 50 0 DIAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000514423 180810437 /nfs/dbraw/zinc/81/04/37/180810437.db2.gz SZTJJANUFCDKIH-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000514422 180810679 /nfs/dbraw/zinc/81/06/79/180810679.db2.gz SZTJJANUFCDKIH-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN COc1cc2c(cc1OC)C(c1ccc(C)cc1)=NC(C)(C)C2 ZINC000000519434 180811540 /nfs/dbraw/zinc/81/15/40/180811540.db2.gz CIJPBFVBJLEUNS-UHFFFAOYSA-N 0 0 309.409 4.184 50 0 biogenic DIAARN FC(F)(F)c1cccc(OCCn2cnc3ccccc32)c1 ZINC000000527840 180813626 /nfs/dbraw/zinc/81/36/26/180813626.db2.gz HIRDZLRDRDYKFG-UHFFFAOYSA-N 0 0 306.287 4.134 50 0 DIAARN O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1Cl ZINC000000545527 180818536 /nfs/dbraw/zinc/81/85/36/180818536.db2.gz FURJPTPBFCKTRB-UHFFFAOYSA-N 0 0 322.751 4.299 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000000578699 180825501 /nfs/dbraw/zinc/82/55/01/180825501.db2.gz VOFXPWMQUMRHQJ-UHFFFAOYSA-N 0 0 321.376 4.343 50 0 DIAARN Cc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000000580726 180825535 /nfs/dbraw/zinc/82/55/35/180825535.db2.gz WWFCDRKFXDWDST-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN COc1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000000612371 180828591 /nfs/dbraw/zinc/82/85/91/180828591.db2.gz IABBMFTZOXFJKD-UHFFFAOYSA-N 0 0 314.454 4.305 50 0 DIAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815138 180834955 /nfs/dbraw/zinc/83/49/55/180834955.db2.gz DKDNZLYMQDZZMO-QMMMGPOBSA-N 0 0 313.184 4.177 50 0 DIAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 ZINC000000818348 180835472 /nfs/dbraw/zinc/83/54/72/180835472.db2.gz IKAIVJMSPLXBMH-UHFFFAOYSA-N 0 0 316.357 4.027 50 0 DIAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000858513 180836004 /nfs/dbraw/zinc/83/60/04/180836004.db2.gz QOOHGZIALDJDHI-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN COc1ccc(Cl)cc1C(=O)Nc1cccc2ncccc21 ZINC000000615136 180829747 /nfs/dbraw/zinc/82/97/47/180829747.db2.gz VGICLMUFXUCUBW-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN CSc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=O)cc1 ZINC000000732206 180832333 /nfs/dbraw/zinc/83/23/33/180832333.db2.gz JJTSDRKXQLDNEO-UHFFFAOYSA-N 0 0 312.369 4.213 50 0 DIAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCCC1 ZINC000000903401 180837448 /nfs/dbraw/zinc/83/74/48/180837448.db2.gz UVDIMUSBHRCWQW-UHFFFAOYSA-N 0 0 304.390 4.468 50 0 DIAARN Cc1nn(C)c(C)c1NC(=O)c1sc2ccccc2c1Cl ZINC000001003056 180840568 /nfs/dbraw/zinc/84/05/68/180840568.db2.gz ZOXZSDIAUHCPOL-UHFFFAOYSA-N 0 0 319.817 4.157 50 0 DIAARN C=CCN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000001009562 180841179 /nfs/dbraw/zinc/84/11/79/180841179.db2.gz GOTHYHKJJWSTBD-CIRQKMMASA-N 0 0 301.436 4.020 50 0 DIAARN CC1(C)COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1 ZINC000001009609 180841384 /nfs/dbraw/zinc/84/13/84/180841384.db2.gz NDPHTBMZCFBLNR-UHFFFAOYSA-N 0 0 305.421 4.126 50 0 DIAARN Cc1cccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 ZINC000001028187 180842263 /nfs/dbraw/zinc/84/22/63/180842263.db2.gz XDGNYSVGDVPUDX-WJDWOHSUSA-N 0 0 324.405 4.101 50 0 DIAARN O=c1cc(CSc2nc3ccccc3s2)c2ccccc2[nH]1 ZINC000001069458 180845383 /nfs/dbraw/zinc/84/53/83/180845383.db2.gz ZXKGWOIRZUHYOQ-UHFFFAOYSA-N 0 0 324.430 4.430 50 0 DIAARN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1c1ccccc1 ZINC000001188291 180848632 /nfs/dbraw/zinc/84/86/32/180848632.db2.gz HMLCRXDSVDNKDP-NJKRNUQASA-N 0 0 307.374 4.484 50 0 DIAARN O=C1NN=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000001397716 180860801 /nfs/dbraw/zinc/86/08/01/180860801.db2.gz LDIYOSADHQQGOG-ZDUSSCGKSA-N 0 0 319.191 4.001 50 0 DIAARN CCCCCOC(=O)c1ccccc1C(=O)OCCCCC ZINC000001680363 180887337 /nfs/dbraw/zinc/88/73/37/180887337.db2.gz IPKKHRVROFYTEK-UHFFFAOYSA-N 0 0 306.402 4.381 50 0 in-vitro DIAARN Cc1ccc(C)c([C@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)c1 ZINC000002091138 180910111 /nfs/dbraw/zinc/91/01/11/180910111.db2.gz UNELUNYSIQBTMF-FZMZJTMJSA-N 0 0 300.229 4.065 50 0 DIAARN Cc1ccc(S(=O)(=O)Oc2cc(C(C)C)ccc2C)cc1 ZINC000002061770 180908733 /nfs/dbraw/zinc/90/87/33/180908733.db2.gz UZUSTRJILIRQDU-UHFFFAOYSA-N 0 0 304.411 4.195 50 0 DIAARN Fc1cccc(-c2nnc(-c3cc(F)c(F)c(F)c3F)o2)c1 ZINC000002183257 180914424 /nfs/dbraw/zinc/91/44/24/180914424.db2.gz BRHQDOAIDMWCBZ-UHFFFAOYSA-N 0 0 312.197 4.099 50 0 DIAARN Cc1cccc(C)c1OP(N)(=O)Oc1c(C)cccc1C ZINC000002291765 180918744 /nfs/dbraw/zinc/91/87/44/180918744.db2.gz RJUGZQFVEPFNDD-UHFFFAOYSA-N 0 0 305.314 4.445 50 0 DIAARN c1nc2cc(NCc3ccncc3)ccc2n1-c1ccccc1 ZINC000002329735 180919936 /nfs/dbraw/zinc/91/99/36/180919936.db2.gz KNTUCFTZWOCVII-UHFFFAOYSA-N 0 0 300.365 4.033 50 0 DIAARN CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3N)c2c1 ZINC000002135528 180911632 /nfs/dbraw/zinc/91/16/32/180911632.db2.gz YNLFLEBJGOCIKC-UHFFFAOYSA-N 0 0 305.333 4.351 50 0 biogenic DIAARN CCCc1nc2oc3c(ncnc3Cl)c2c2c1CCCC2 ZINC000002339965 180920364 /nfs/dbraw/zinc/92/03/64/180920364.db2.gz GYZYKVBGDUYGFL-UHFFFAOYSA-N 0 0 301.777 4.256 50 0 DIAARN CCCCOC(=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 ZINC000002534670 180932574 /nfs/dbraw/zinc/93/25/74/180932574.db2.gz VVTIKXPLPUIJRJ-NTEUORMPSA-N 0 0 324.376 4.262 50 0 DIAARN O=Cc1ccc(C2=CC3=C[C@@H](c4ccc(C=O)[nH]4)CC[C@H]3CC2)[nH]1 ZINC000002519590 180931537 /nfs/dbraw/zinc/93/15/37/180931537.db2.gz GLYNAPMHXIUNBZ-KBPBESRZSA-N 0 0 320.392 4.265 50 0 DIAARN CCOC(=O)c1ccc2nc(C(F)(F)F)cc(Cl)c2c1 ZINC000002565076 180935956 /nfs/dbraw/zinc/93/59/56/180935956.db2.gz OVKUZRAPJZZYQY-UHFFFAOYSA-N 0 0 303.667 4.084 50 0 DIAARN O=C1O/C(=C\Br)CC[C@@H]1c1cccc2ccccc21 ZINC000002562601 180935977 /nfs/dbraw/zinc/93/59/77/180935977.db2.gz BYUCSFWXCMTYOI-KUGGDMIFSA-N 0 0 317.182 4.497 50 0 DIAARN O=Cc1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000002578427 180937163 /nfs/dbraw/zinc/93/71/63/180937163.db2.gz FRTHNPVVIYLESX-UHFFFAOYSA-N 0 0 315.550 4.087 50 0 DIAARN O=C(Cc1ccccc1F)Nc1nc(-c2cccs2)cs1 ZINC000002618976 180939486 /nfs/dbraw/zinc/93/94/86/180939486.db2.gz DECSAPXNQLMMTO-UHFFFAOYSA-N 0 0 318.398 4.192 50 0 DIAARN CCOC(=O)/C=C(\C)N(Cc1ccccc1)Cc1ccccc1 ZINC000002686703 180946702 /nfs/dbraw/zinc/94/67/02/180946702.db2.gz QWVGNMVYHMXXQJ-SAPNQHFASA-N 0 0 309.409 4.156 50 0 DIAARN Cc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cn2)c1 ZINC000002658075 180945327 /nfs/dbraw/zinc/94/53/27/180945327.db2.gz OCAAZULHJUBHLQ-UHFFFAOYSA-N 0 0 306.818 4.083 50 0 DIAARN O=C(Nc1nc2c(s1)c(Cl)ccc2Cl)c1ccco1 ZINC000002723874 180949331 /nfs/dbraw/zinc/94/93/31/180949331.db2.gz YLAUXMILRJAHJC-UHFFFAOYSA-N 0 0 313.165 4.448 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)CSc1c(C)[nH]c2ccccc21 ZINC000002718319 180949500 /nfs/dbraw/zinc/94/95/00/180949500.db2.gz NHDDBUUFQOTJJD-CQSZACIVSA-N 0 0 316.470 4.360 50 0 DIAARN Cc1ccc(SCCNC(=S)Nc2ccc(F)cc2)cc1 ZINC000002782757 180957081 /nfs/dbraw/zinc/95/70/81/180957081.db2.gz YXFLVHOMNLXUCF-UHFFFAOYSA-N 0 0 320.458 4.213 50 0 DIAARN FC(F)c1cc(-c2ccc(Br)cc2)nc2ccnn21 ZINC000002766598 180953960 /nfs/dbraw/zinc/95/39/60/180953960.db2.gz LADLVBVWKFJZIM-UHFFFAOYSA-N 0 0 324.128 4.096 50 0 DIAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000002854965 180963809 /nfs/dbraw/zinc/96/38/09/180963809.db2.gz HLIGENOIWYFPPT-UHFFFAOYSA-N 0 0 314.360 4.207 50 0 DIAARN S=C(NCCSc1ccc(Cl)cc1)Nc1ccccc1 ZINC000002795152 180958710 /nfs/dbraw/zinc/95/87/10/180958710.db2.gz OGEPLMZYNGVTLY-UHFFFAOYSA-N 0 0 322.886 4.419 50 0 DIAARN CCOc1cc(NC(=O)c2ccccc2C)ccc1OC(F)F ZINC000002796021 180958855 /nfs/dbraw/zinc/95/88/55/180958855.db2.gz FWFDBTMBELKMKX-UHFFFAOYSA-N 0 0 321.323 4.247 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2nc3ccccc3n2C)cc1 ZINC000002910345 180969847 /nfs/dbraw/zinc/96/98/47/180969847.db2.gz NUXZESAYZQYYPT-UHFFFAOYSA-N 0 0 323.396 4.005 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1C ZINC000002919768 180970252 /nfs/dbraw/zinc/97/02/52/180970252.db2.gz IWESXAMWELZRNZ-MOPGFXCFSA-N 0 0 318.424 4.350 50 0 DIAARN CCc1cc(=O)oc2cc(OC/C=C/c3ccccc3)ccc12 ZINC000002954452 180972173 /nfs/dbraw/zinc/97/21/73/180972173.db2.gz AJGSKTPHSHHZST-RMKNXTFCSA-N 0 0 306.361 4.448 50 0 DIAARN COc1cc(C)ccc1OCCOc1cc(C)ccc1Cl ZINC000002991329 180975210 /nfs/dbraw/zinc/97/52/10/180975210.db2.gz UVAOBHSWJTXPCD-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN CCCCc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 ZINC000003100458 180981399 /nfs/dbraw/zinc/98/13/99/180981399.db2.gz WVMPYMQOFYVUKH-UHFFFAOYSA-N 0 0 313.397 4.299 50 0 DIAARN CN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000003100467 180981530 /nfs/dbraw/zinc/98/15/30/180981530.db2.gz BNNAWXIDIYWMHB-UHFFFAOYSA-N 0 0 310.180 4.035 50 0 DIAARN COc1ccccc1NC(=S)N[C@H]1CCCc2ccccc21 ZINC000003208821 180991557 /nfs/dbraw/zinc/99/15/57/180991557.db2.gz KEBOTHYJZDPPDA-HNNXBMFYSA-N 0 0 312.438 4.059 50 0 DIAARN CCCCCc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000003154222 180986856 /nfs/dbraw/zinc/98/68/56/180986856.db2.gz KQFYGDTZLJPLKI-UHFFFAOYSA-N 0 0 309.822 4.177 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl ZINC000003221360 180993199 /nfs/dbraw/zinc/99/31/99/180993199.db2.gz TUULCBKLXIJTJL-LLVKDONJSA-N 0 0 323.770 4.369 50 0 DIAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=O ZINC000003252758 180996271 /nfs/dbraw/zinc/99/62/71/180996271.db2.gz BBNMZAQSIMQOMB-UHFFFAOYSA-N 0 0 303.576 4.013 50 0 DIAARN CCC(=O)c1ccc(OC(=O)c2ccc(F)cc2Cl)cc1 ZINC000003249175 180996386 /nfs/dbraw/zinc/99/63/86/180996386.db2.gz DKXZGOWSFMASHR-UHFFFAOYSA-N 0 0 306.720 4.291 50 0 DIAARN Cc1cc(C)c(NC(=O)COC(=O)CCC2CCCC2)c(C)c1 ZINC000003318495 181004298 /nfs/dbraw/zinc/00/42/98/181004298.db2.gz QPLFVQFWCXELPQ-UHFFFAOYSA-N 0 0 317.429 4.064 50 0 DIAARN Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1 ZINC000003329769 181006271 /nfs/dbraw/zinc/00/62/71/181006271.db2.gz MWYJTJSJYKOZSD-UHFFFAOYSA-N 0 0 317.439 4.023 50 0 DIAARN S=C(NCCCc1ccccc1)Nc1ccccc1Cl ZINC000003326340 181005372 /nfs/dbraw/zinc/00/53/72/181005372.db2.gz HLESNLDLVYVEGQ-UHFFFAOYSA-N 0 0 304.846 4.259 50 0 DIAARN Oc1cccc2c(NC(=S)NC3CCCCC3)cccc12 ZINC000003324986 181005487 /nfs/dbraw/zinc/00/54/87/181005487.db2.gz NZWWAXOXLUPPSF-UHFFFAOYSA-N 0 0 300.427 4.165 50 0 DIAARN CC(C)(C)c1csc(NC(=O)c2ccc3ccccc3n2)n1 ZINC000003325776 181005521 /nfs/dbraw/zinc/00/55/21/181005521.db2.gz PHQWRKOQGLKUEM-UHFFFAOYSA-N 0 0 311.410 4.241 50 0 DIAARN COc1ccc2oc(C(=O)OCc3ccc(C)cc3)c(C)c2c1 ZINC000003284015 181000296 /nfs/dbraw/zinc/00/02/96/181000296.db2.gz HYMTUOKYDPMNLH-UHFFFAOYSA-N 0 0 310.349 4.415 50 0 DIAARN O=C(O[C@H]1CCCCC1=O)c1ccccc1Oc1ccccc1 ZINC000003290921 181000963 /nfs/dbraw/zinc/00/09/63/181000963.db2.gz RNMVRPYKJORQCT-SFHVURJKSA-N 0 0 310.349 4.147 50 0 DIAARN CC(=O)c1cccc(NC(=O)CSc2cc(C)ccc2C)c1 ZINC000003293632 181001465 /nfs/dbraw/zinc/00/14/65/181001465.db2.gz UKSQPLWHRDPJQU-UHFFFAOYSA-N 0 0 313.422 4.237 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000003303622 181002372 /nfs/dbraw/zinc/00/23/72/181002372.db2.gz SCDBWROCPZMOJV-ZWNOBZJWSA-N 0 0 314.401 4.153 50 0 DIAARN Cc1ccccc1-n1c(SC(C)C)nnc1-c1cccnc1 ZINC000003305682 181002574 /nfs/dbraw/zinc/00/25/74/181002574.db2.gz NQHUCHMAGCDGPW-UHFFFAOYSA-N 0 0 310.426 4.138 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(F)c(F)cc1Cl ZINC000003305496 181002599 /nfs/dbraw/zinc/00/25/99/181002599.db2.gz RMYLPBXYSNSHDA-SECBINFHSA-N 0 0 307.727 4.210 50 0 DIAARN CCCSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 ZINC000003310486 181002707 /nfs/dbraw/zinc/00/27/07/181002707.db2.gz AWYRFGIRHQATHY-UHFFFAOYSA-N 0 0 324.453 4.394 50 0 DIAARN CCSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000003314889 181003878 /nfs/dbraw/zinc/00/38/78/181003878.db2.gz RPDYKDXCXWOBLK-UHFFFAOYSA-N 0 0 301.440 4.167 50 0 DIAARN CN(C)c1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000003367724 181012020 /nfs/dbraw/zinc/01/20/20/181012020.db2.gz GPGOAYJJSCHJAH-UHFFFAOYSA-N 0 0 324.468 4.322 50 0 DIAARN Cc1cccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1C ZINC000003369910 181012220 /nfs/dbraw/zinc/01/22/20/181012220.db2.gz AGSLPGMHBWMODU-UHFFFAOYSA-N 0 0 310.393 4.268 50 0 DIAARN CN(C)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003379175 181013547 /nfs/dbraw/zinc/01/35/47/181013547.db2.gz BUZQOASOLXMVTJ-UHFFFAOYSA-N 0 0 316.813 4.319 50 0 DIAARN Cc1cccc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)c1 ZINC000003380543 181013624 /nfs/dbraw/zinc/01/36/24/181013624.db2.gz BUUGISAGYGFVPL-QGZVFWFLSA-N 0 0 320.436 4.111 50 0 DIAARN Cc1cccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)c1 ZINC000003380547 181013633 /nfs/dbraw/zinc/01/36/33/181013633.db2.gz BUUGISAGYGFVPL-KRWDZBQOSA-N 0 0 320.436 4.111 50 0 DIAARN CCOc1ccc(NC(=S)N(CC)Cc2ccccc2)cc1 ZINC000003326967 181006322 /nfs/dbraw/zinc/00/63/22/181006322.db2.gz QBKDYPQAIZXQSW-UHFFFAOYSA-N 0 0 314.454 4.304 50 0 DIAARN Cc1nnc(SCC(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000003389296 181014476 /nfs/dbraw/zinc/01/44/76/181014476.db2.gz SSDVQWMLJGAKHJ-UHFFFAOYSA-N 0 0 321.471 4.009 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)COc3ccccc3)cc2)cs1 ZINC000003345615 181008896 /nfs/dbraw/zinc/00/88/96/181008896.db2.gz SVWPVSUCOXEYOM-UHFFFAOYSA-N 0 0 324.405 4.136 50 0 DIAARN O=C(Cc1csc(-c2ccccc2)n1)NCC1CCCCC1 ZINC000003344355 181009254 /nfs/dbraw/zinc/00/92/54/181009254.db2.gz ZTMVWLSQHNGZNS-UHFFFAOYSA-N 0 0 314.454 4.049 50 0 DIAARN O=C(NCc1cccs1)c1ccc(Oc2ccccc2)cc1 ZINC000003349491 181009691 /nfs/dbraw/zinc/00/96/91/181009691.db2.gz MKDSQADUBAQASF-UHFFFAOYSA-N 0 0 309.390 4.470 50 0 DIAARN Cc1nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2s1 ZINC000003352012 181010591 /nfs/dbraw/zinc/01/05/91/181010591.db2.gz RNPNOUBNSWFJSL-UHFFFAOYSA-N 0 0 319.389 4.405 50 0 DIAARN COc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(Cl)c1OC ZINC000003359832 181011344 /nfs/dbraw/zinc/01/13/44/181011344.db2.gz MNLRPPDKSXKDSP-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN Cc1ccc(NCC(=O)Nc2cccc(C)c2C)c(Cl)c1 ZINC000003405967 181015606 /nfs/dbraw/zinc/01/56/06/181015606.db2.gz SHSLNACJQCZNGQ-UHFFFAOYSA-N 0 0 302.805 4.316 50 0 DIAARN O=C(Cc1cccc(F)c1)NC(c1ccccc1)c1ccccc1 ZINC000003403597 181015659 /nfs/dbraw/zinc/01/56/59/181015659.db2.gz ANESVFWASUACDO-UHFFFAOYSA-N 0 0 319.379 4.274 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F ZINC000003407467 181015720 /nfs/dbraw/zinc/01/57/20/181015720.db2.gz AOSNKDGTBIEGPD-UHFFFAOYSA-N 0 0 319.204 4.375 50 0 DIAARN CCOc1ccc(NC(=O)CNc2ccc(C)cc2Cl)cc1 ZINC000003405963 181015819 /nfs/dbraw/zinc/01/58/19/181015819.db2.gz WGWXPBJDWHCOCY-UHFFFAOYSA-N 0 0 318.804 4.098 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000003403199 181015821 /nfs/dbraw/zinc/01/58/21/181015821.db2.gz BPPKVHUDDDOLIQ-CYBMUJFWSA-N 0 0 321.342 4.457 50 0 DIAARN CC(=O)c1cccc(NCC(=O)Nc2cccc3ccccc32)c1 ZINC000003406158 181015960 /nfs/dbraw/zinc/01/59/60/181015960.db2.gz QKPBCZWCLFBBHX-UHFFFAOYSA-N 0 0 318.376 4.093 50 0 DIAARN CCc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000003408823 181016424 /nfs/dbraw/zinc/01/64/24/181016424.db2.gz OTTGMZINWAHRON-UHFFFAOYSA-N 0 0 306.768 4.092 50 0 DIAARN 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181147733 /nfs/dbraw/zinc/14/77/33/181147733.db2.gz HZSFXUJBNBQYEM-UHFFFAOYSA-N 0 0 317.391 4.002 50 0 DIAARN O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1ccccc1 ZINC000004762671 181148976 /nfs/dbraw/zinc/14/89/76/181148976.db2.gz XRXSCHSEKBXBPZ-OUKQBFOZSA-N 0 0 314.344 4.149 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000004775588 181150246 /nfs/dbraw/zinc/15/02/46/181150246.db2.gz JFQMKCWPZYHJAE-LBPRGKRZSA-N 0 0 323.314 4.420 50 0 DIAARN COc1ccc(C(=O)Nc2cccc3ncccc32)cc1Cl ZINC000004776778 181150943 /nfs/dbraw/zinc/15/09/43/181150943.db2.gz RUDOIFUGRJZKRG-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN Nc1ccc(Cl)cc1[C@](O)(c1ccccc1)C1CCCC1 ZINC000004783461 181151886 /nfs/dbraw/zinc/15/18/86/181151886.db2.gz QSCDWDKFJVHXEF-SFHVURJKSA-N 0 0 301.817 4.348 50 0 DIAARN Cc1cc2ccccc2n1CCNC(=O)c1cccc(Cl)c1 ZINC000004801000 181153351 /nfs/dbraw/zinc/15/33/51/181153351.db2.gz SUCRDZRDIYWWFW-UHFFFAOYSA-N 0 0 312.800 4.033 50 0 DIAARN COc1cccc(C=O)c1OCCCOc1ccccc1Cl ZINC000004806854 181154072 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C[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000015744695 182014887 /nfs/dbraw/zinc/01/48/87/182014887.db2.gz AAWCLXHUNAJJLM-HNNXBMFYSA-N 0 0 306.409 4.020 50 0 DIAARN c1ccc(CN(Cn2nnc3ccccc32)c2ccccc2)cc1 ZINC000015767893 182015100 /nfs/dbraw/zinc/01/51/00/182015100.db2.gz BZOURKQMIPXHGQ-UHFFFAOYSA-N 0 0 314.392 4.096 50 0 DIAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1cccc(C)c1 ZINC000015774573 182016019 /nfs/dbraw/zinc/01/60/19/182016019.db2.gz DUKOFUDHQYZBBD-UHFFFAOYSA-N 0 0 321.380 4.280 50 0 DIAARN COc1cc(C(=O)Nc2ccccc2)nc2ccc(Cl)cc21 ZINC000015829250 182018977 /nfs/dbraw/zinc/01/89/77/182018977.db2.gz CSEGLMWSGCOHEB-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN O=C(CSc1nccn1C1CCCCC1)Nc1ccccc1 ZINC000015825282 182019054 /nfs/dbraw/zinc/01/90/54/182019054.db2.gz CMNCQQOHERLXBL-UHFFFAOYSA-N 0 0 315.442 4.119 50 0 DIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000015835808 182020712 /nfs/dbraw/zinc/02/07/12/182020712.db2.gz LSPVZPCTOCXURP-MRXNPFEDSA-N 0 0 315.438 4.053 50 0 DIAARN CC(C)C(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835597 182020721 /nfs/dbraw/zinc/02/07/21/182020721.db2.gz MQABNDKLHCRMMY-QGZVFWFLSA-N 0 0 312.438 4.433 50 0 DIAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cccc(Cl)c32)C1 ZINC000015840312 182021233 /nfs/dbraw/zinc/02/12/33/182021233.db2.gz ZBQPKYJRDOTRDS-ZDUSSCGKSA-N 0 0 311.816 4.267 50 0 DIAARN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000015837679 182021238 /nfs/dbraw/zinc/02/12/38/182021238.db2.gz AKWLWRZDMWBGPS-OAHLLOKOSA-N 0 0 300.427 4.103 50 0 DIAARN Cc1ccc([C@@H](NC(=O)c2cccs2)c2cccnc2)cc1C ZINC000015839765 182021244 /nfs/dbraw/zinc/02/12/44/182021244.db2.gz DACYAKSSKJRBMG-GOSISDBHSA-N 0 0 322.433 4.279 50 0 DIAARN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cccc(Cl)c1 ZINC000015839636 182021277 /nfs/dbraw/zinc/02/12/77/182021277.db2.gz BHOBBAISTJOVSH-SFHVURJKSA-N 0 0 322.795 4.254 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc(C)cc2)c2cccnc12 ZINC000015840724 182021593 /nfs/dbraw/zinc/02/15/93/182021593.db2.gz MHUVYFRIADUFGM-UHFFFAOYSA-N 0 0 306.365 4.194 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CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C ZINC000016468832 182045722 /nfs/dbraw/zinc/04/57/22/182045722.db2.gz DZGXTFBGNSHRAT-KBPBESRZSA-N 0 0 309.356 4.465 50 0 DIAARN CCc1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 ZINC000016603025 182051795 /nfs/dbraw/zinc/05/17/95/182051795.db2.gz NBEAOSWLMOLSLM-UHFFFAOYSA-N 0 0 309.394 4.020 50 0 DIAARN CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)Nc1cc(C)on1 ZINC000016603596 182052263 /nfs/dbraw/zinc/05/22/63/182052263.db2.gz RBMVPRYUKGQPFS-ZDUSSCGKSA-N 0 0 322.792 4.049 50 0 DIAARN CCCOc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000016603557 182052582 /nfs/dbraw/zinc/05/25/82/182052582.db2.gz AEXPZLUEETVDAF-UHFFFAOYSA-N 0 0 302.374 4.013 50 0 DIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCC(C)C ZINC000016605904 182053304 /nfs/dbraw/zinc/05/33/04/182053304.db2.gz JAPQUYWNXSWNNV-UHFFFAOYSA-N 0 0 324.783 4.218 50 0 DIAARN Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000016649375 182055999 /nfs/dbraw/zinc/05/59/99/182055999.db2.gz YLVPAFYHDTXEHY-GFCCVEGCSA-N 0 0 323.421 4.005 50 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O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000018173601 182095728 /nfs/dbraw/zinc/09/57/28/182095728.db2.gz OTNKJSUOPMEQJL-SECBINFHSA-N 0 0 306.715 4.146 50 0 DIAARN Cc1nc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2o1 ZINC000018173796 182095742 /nfs/dbraw/zinc/09/57/42/182095742.db2.gz VVYBYKQOLAIPGR-UHFFFAOYSA-N 0 0 301.733 4.434 50 0 DIAARN Cc1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2s1 ZINC000018172460 182095847 /nfs/dbraw/zinc/09/58/47/182095847.db2.gz SGIGNGBUCYKGOQ-UHFFFAOYSA-N 0 0 301.346 4.388 50 0 DIAARN Cc1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000018182548 182096968 /nfs/dbraw/zinc/09/69/68/182096968.db2.gz QSZASLCRNWTTFV-UHFFFAOYSA-N 0 0 311.410 4.269 50 0 DIAARN O=C(Nc1ccc(F)cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000018177591 182096974 /nfs/dbraw/zinc/09/69/74/182096974.db2.gz BJULTEDHXQSKML-CQSZACIVSA-N 0 0 320.364 4.323 50 0 DIAARN COc1cc2c(cc1NC(=O)c1ccoc1)oc1ccccc12 ZINC000018230686 182099992 /nfs/dbraw/zinc/09/99/92/182099992.db2.gz BBAWUROUERRRIO-UHFFFAOYSA-N 0 0 307.305 4.440 50 0 DIAARN 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Cc1cccc([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)c1 ZINC000019787506 182148589 /nfs/dbraw/zinc/14/85/89/182148589.db2.gz PZIQIRXKZZQICA-INIZCTEOSA-N 0 0 312.413 4.126 50 0 DIAARN Cc1csc2ncnc(-c3cccc(-c4ccn(C)n4)c3)c12 ZINC000019792494 182150193 /nfs/dbraw/zinc/15/01/93/182150193.db2.gz YBHKHOIJUFKUTQ-UHFFFAOYSA-N 0 0 306.394 4.067 50 0 DIAARN Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2cccc(Cl)c2)s1 ZINC000019927572 182164970 /nfs/dbraw/zinc/16/49/70/182164970.db2.gz PFXYOOGPKLQLML-NOZJJQNGSA-N 0 0 324.858 4.272 50 0 DIAARN O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 ZINC000019926875 182165043 /nfs/dbraw/zinc/16/50/43/182165043.db2.gz DJCSMYQGUHPCBC-OAHLLOKOSA-N 0 0 307.777 4.258 50 0 DIAARN CCOC(=O)Nc1c(-c2ccc(C)cc2)nc2c(C)cccn12 ZINC000019898741 182161418 /nfs/dbraw/zinc/16/14/18/182161418.db2.gz JBHSFNHOSUBTAM-UHFFFAOYSA-N 0 0 309.369 4.187 50 0 DIAARN O=C(CCC1CCCCC1)NCC[C@@H]1CNc2ccccc21 ZINC000020028033 182181366 /nfs/dbraw/zinc/18/13/66/182181366.db2.gz PSFMSHZHKUVMCI-MRXNPFEDSA-N 0 0 300.446 4.063 50 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0 DIAARN Cc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1 ZINC000020536135 182228106 /nfs/dbraw/zinc/22/81/06/182228106.db2.gz VQDNKWGWZOXZDH-UHFFFAOYSA-N 0 0 322.393 4.018 50 0 DIAARN COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020551167 182230229 /nfs/dbraw/zinc/23/02/29/182230229.db2.gz NNRYAXSCVZWXPL-ZDUSSCGKSA-N 0 0 310.397 4.067 50 0 DIAARN O=C1C[C@@H](c2ccccc2OCc2ccccc2)c2c[nH]nc2N1 ZINC000020730809 182244330 /nfs/dbraw/zinc/24/43/30/182244330.db2.gz OYOPLICHMBEKAL-HNNXBMFYSA-N 0 0 319.364 4.112 50 0 DIAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1F ZINC000020575370 182235030 /nfs/dbraw/zinc/23/50/30/182235030.db2.gz KQRPLYKTYAFBDS-UHFFFAOYSA-N 0 0 319.339 4.416 50 0 DIAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]nc2N1 ZINC000020730557 182244556 /nfs/dbraw/zinc/24/45/56/182244556.db2.gz IFHPNIURUZTACL-NSHDSACASA-N 0 0 314.197 4.141 50 0 DIAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C)noc3n2)c1 ZINC000020605088 182237226 /nfs/dbraw/zinc/23/72/26/182237226.db2.gz YFNDYKJCBNTGNT-UHFFFAOYSA-N 0 0 308.259 4.226 50 0 DIAARN Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)n1 ZINC000020603147 182237275 /nfs/dbraw/zinc/23/72/75/182237275.db2.gz LHHGEQMECVDFHU-ZDUSSCGKSA-N 0 0 305.809 4.052 50 0 DIAARN CC(C)c1ccc(CCC(=O)N[C@H](C)CCc2ccco2)cc1 ZINC000020607719 182237656 /nfs/dbraw/zinc/23/76/56/182237656.db2.gz GPQKNXANGZNYFG-MRXNPFEDSA-N 0 0 313.441 4.473 50 0 DIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(C)c(F)c1 ZINC000020900291 182252891 /nfs/dbraw/zinc/25/28/91/182252891.db2.gz YGHQHBGCJRANND-MRXNPFEDSA-N 0 0 315.392 4.243 50 0 DIAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(C)cc1 ZINC000020900367 182252952 /nfs/dbraw/zinc/25/29/52/182252952.db2.gz JPGOOVCKHMIHMO-QGZVFWFLSA-N 0 0 311.429 4.494 50 0 DIAARN O=C(c1cccs1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020738719 182245391 /nfs/dbraw/zinc/24/53/91/182245391.db2.gz CWIIMKKAEBOGQJ-UHFFFAOYSA-N 0 0 316.813 4.081 50 0 DIAARN COc1ccc(-c2cccc(-c3ccn(C4CCCC4)n3)c2)nn1 ZINC000020863998 182250352 /nfs/dbraw/zinc/25/03/52/182250352.db2.gz QXXGCZGSCPBMQG-UHFFFAOYSA-N 0 0 320.396 4.131 50 0 DIAARN Cc1oc(-c2ccccc2)nc1CSc1nc2cc[nH]cc-2n1 ZINC000020865736 182250796 /nfs/dbraw/zinc/25/07/96/182250796.db2.gz RSWKUXFNNBTJAC-UHFFFAOYSA-N 0 0 322.393 4.214 50 0 DIAARN CSc1cccc(NC(=O)NCCc2csc(C)c2C)c1 ZINC000021088352 182264912 /nfs/dbraw/zinc/26/49/12/182264912.db2.gz ZONXNBSGJPIDFE-UHFFFAOYSA-N 0 0 320.483 4.451 50 0 DIAARN CCc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1 ZINC000020997301 182257884 /nfs/dbraw/zinc/25/78/84/182257884.db2.gz XHQUXCSJRMBBKU-KRWDZBQOSA-N 0 0 308.381 4.262 50 0 DIAARN CC(C)C1=NO[C@@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000020997266 182258074 /nfs/dbraw/zinc/25/80/74/182258074.db2.gz MFUAOMRVWKYFGV-MRXNPFEDSA-N 0 0 307.353 4.363 50 0 DIAARN CCc1ccccc1NC(=O)C[C@@H](c1ccco1)n1cccc1 ZINC000020997297 182258126 /nfs/dbraw/zinc/25/81/26/182258126.db2.gz JEUUVRAMNMVMQN-KRWDZBQOSA-N 0 0 308.381 4.262 50 0 DIAARN O=C(C[C@@H](c1ccco1)n1cccc1)Nc1cccc(Cl)c1 ZINC000020997273 182258339 /nfs/dbraw/zinc/25/83/39/182258339.db2.gz XOTRWGOLNLLUJN-HNNXBMFYSA-N 0 0 314.772 4.353 50 0 DIAARN Cc1ccccc1[C@H](CC(=O)NCc1cccs1)n1cccc1 ZINC000020998742 182258591 /nfs/dbraw/zinc/25/85/91/182258591.db2.gz HZZHVPHWENQJGV-SFHVURJKSA-N 0 0 324.449 4.154 50 0 DIAARN Cc1cccc([C@@H](CC(=O)NC2CCCCC2)n2cccc2)c1 ZINC000020998919 182258839 /nfs/dbraw/zinc/25/88/39/182258839.db2.gz CNPLLXDSOLHCJH-LJQANCHMSA-N 0 0 310.441 4.225 50 0 DIAARN Cc1ccc(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)nc1 ZINC000020998871 182258932 /nfs/dbraw/zinc/25/89/32/182258932.db2.gz MDNVZHZGDHIGMV-SFHVURJKSA-N 0 0 319.408 4.118 50 0 DIAARN Cc1ccc(NC(=O)NCCCSCc2ccco2)cc1C ZINC000021148919 182266826 /nfs/dbraw/zinc/26/68/26/182266826.db2.gz FKUCHMCMSJCBSN-UHFFFAOYSA-N 0 0 318.442 4.341 50 0 DIAARN Fc1cc(F)cc(-c2noc3ncnc(Nc4ccccc4)c32)c1 ZINC000021714792 182284844 /nfs/dbraw/zinc/28/48/44/182284844.db2.gz DOOWQOYXKWOXLU-UHFFFAOYSA-N 0 0 324.290 4.307 50 0 DIAARN CCCc1cc([C@@H]2CCCN2Cc2cc(F)cc(F)c2)no1 ZINC000021720385 182285899 /nfs/dbraw/zinc/28/58/99/182285899.db2.gz RZLLNBFENRVSEC-KRWDZBQOSA-N 0 0 306.356 4.242 50 0 DIAARN CCCc1cc([C@H]2CCCN2Cc2ccccc2OCC)no1 ZINC000021720430 182286412 /nfs/dbraw/zinc/28/64/12/182286412.db2.gz XKEFHZCPGWFMFE-GOSISDBHSA-N 0 0 314.429 4.363 50 0 DIAARN Cc1cccc(OCCCC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000021524182 182278700 /nfs/dbraw/zinc/27/87/00/182278700.db2.gz XNTOANLXPMYPAY-UHFFFAOYSA-N 0 0 323.436 4.002 50 0 DIAARN Cc1ccc(NC(=O)c2ncoc2-c2ccco2)c(Cl)c1 ZINC000021642153 182282237 /nfs/dbraw/zinc/28/22/37/182282237.db2.gz WBHIUPNEBOFKNC-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN Cc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c(C)o1 ZINC000021669300 182283290 /nfs/dbraw/zinc/28/32/90/182283290.db2.gz BRSMNOQXVZBZQK-UHFFFAOYSA-N 0 0 316.357 4.411 50 0 DIAARN O=C1CCCN1c1cccc(Oc2nc3ccccc3s2)c1 ZINC000021674170 182283360 /nfs/dbraw/zinc/28/33/60/182283360.db2.gz UZGVQUZDNNMZMA-UHFFFAOYSA-N 0 0 310.378 4.215 50 0 DIAARN COc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)no2)cc1 ZINC000021786513 182289451 /nfs/dbraw/zinc/28/94/51/182289451.db2.gz LLEJUJCIYNROBI-UHFFFAOYSA-N 0 0 323.348 4.186 50 0 DIAARN CCCCNc1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000021798822 182290281 /nfs/dbraw/zinc/29/02/81/182290281.db2.gz LRGWDRLXNMXWOO-UHFFFAOYSA-N 0 0 312.392 4.364 50 0 DIAARN Cc1nn2c(nc(C)cc2NCC(C)C)c1-c1ccc(F)cc1 ZINC000021798914 182290319 /nfs/dbraw/zinc/29/03/19/182290319.db2.gz XCHQODXMQRPXFW-UHFFFAOYSA-N 0 0 312.392 4.220 50 0 DIAARN C[C@@H](c1ccccc1)N1CCn2c3ccc(Cl)cc3nc2C1 ZINC000021799948 182290426 /nfs/dbraw/zinc/29/04/26/182290426.db2.gz DXFKYGSYLUVNTB-ZDUSSCGKSA-N 0 0 311.816 4.267 50 0 DIAARN Cc1cc(NC2CCCC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021799033 182290463 /nfs/dbraw/zinc/29/04/63/182290463.db2.gz XOZGKWITVKFFQP-UHFFFAOYSA-N 0 0 310.376 4.198 50 0 DIAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000021836774 182294624 /nfs/dbraw/zinc/29/46/24/182294624.db2.gz NTVWKHQNDBAXTB-CYBMUJFWSA-N 0 0 310.372 4.069 50 0 DIAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000021840243 182294675 /nfs/dbraw/zinc/29/46/75/182294675.db2.gz NLICJFIQTIEVDW-AXRAZBADSA-N 0 0 309.365 4.258 50 0 DIAARN O=C(NC1CCCC1)c1ccccc1OCc1ccc(F)cc1 ZINC000021874151 182295713 /nfs/dbraw/zinc/29/57/13/182295713.db2.gz BVHZCTHURLJAIG-UHFFFAOYSA-N 0 0 313.372 4.077 50 0 DIAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C ZINC000021890744 182297030 /nfs/dbraw/zinc/29/70/30/182297030.db2.gz NIWZXBQSZDRJPJ-HNNXBMFYSA-N 0 0 311.429 4.110 50 0 DIAARN O=C(CCc1cccs1)Nc1nc2c(s1)CCCCC2 ZINC000021902187 182297564 /nfs/dbraw/zinc/29/75/64/182297564.db2.gz MULNTIZKQQJLGT-UHFFFAOYSA-N 0 0 306.456 4.045 50 0 DIAARN CCc1onc(C)c1[C@H]1CCCN1Cc1cccc(F)c1F ZINC000021720836 182286695 /nfs/dbraw/zinc/28/66/95/182286695.db2.gz APKAYAOPYSPBCR-CQSZACIVSA-N 0 0 306.356 4.161 50 0 DIAARN Fc1ccc2c(c1)-c1c(cnc3cc(-c4ccccc4)nn31)CO2 ZINC000021729170 182287248 /nfs/dbraw/zinc/28/72/48/182287248.db2.gz MJUGNNCAGJYWCU-UHFFFAOYSA-N 0 0 317.323 4.095 50 0 DIAARN Fc1ccccc1CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000022138650 182310669 /nfs/dbraw/zinc/31/06/69/182310669.db2.gz LEKJUWIDOCIYEA-BQYQJAHWSA-N 0 0 317.414 4.468 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(OC(F)F)cc2)C1(C)C ZINC000022007374 182303446 /nfs/dbraw/zinc/30/34/46/182303446.db2.gz MLQJCBXTOFLXOD-HUUCEWRRSA-N 0 0 323.383 4.143 50 0 DIAARN C[C@H](c1cccs1)N(C)Cc1nc(-c2cccs2)no1 ZINC000022013480 182303936 /nfs/dbraw/zinc/30/39/36/182303936.db2.gz BKHSYVNQPOBBNH-SNVBAGLBSA-N 0 0 305.428 4.053 50 0 DIAARN Cc1nc2sc3c(c2c(Oc2cccnc2)n1)CC[C@@H](C)C3 ZINC000021937708 182299209 /nfs/dbraw/zinc/29/92/09/182299209.db2.gz XANCBBNKHVTCNF-SNVBAGLBSA-N 0 0 311.410 4.312 50 0 DIAARN O=C1CCc2c1cccc2OCc1coc(-c2cccs2)n1 ZINC000022134806 182310659 /nfs/dbraw/zinc/31/06/59/182310659.db2.gz WMDCERLZESHCRE-UHFFFAOYSA-N 0 0 311.362 4.111 50 0 DIAARN CCCc1cc(C(=O)OCC)c(NC(=O)C2CCCCC2)s1 ZINC000022319374 182317451 /nfs/dbraw/zinc/31/74/51/182317451.db2.gz YFDBUAPWIPGXKO-UHFFFAOYSA-N 0 0 323.458 4.396 50 0 DIAARN CCC[C@@H](C)C(=O)Nc1sc(C(C)C)cc1C(=O)OCC ZINC000022318055 182317670 /nfs/dbraw/zinc/31/76/70/182317670.db2.gz YINZFQNKEBSBCU-LLVKDONJSA-N 0 0 311.447 4.423 50 0 DIAARN CCCCCCN(C)C(=O)c1cc(-c2cccc(C)c2)on1 ZINC000022325084 182317902 /nfs/dbraw/zinc/31/79/02/182317902.db2.gz QMYPMELLGVOZDJ-UHFFFAOYSA-N 0 0 300.402 4.302 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@H](NC(=O)C[C@H]1C=CCC1)C3 ZINC000022330951 182318817 /nfs/dbraw/zinc/31/88/17/182318817.db2.gz IXADFLHKMJDTGI-HOCLYGCPSA-N 0 0 322.452 4.060 50 0 DIAARN CCOc1ccc(-c2ccc(C(=O)N(CC)CC)s2)cc1 ZINC000022335792 182318919 /nfs/dbraw/zinc/31/89/19/182318919.db2.gz CJHMQCUXJZMHQS-UHFFFAOYSA-N 0 0 303.427 4.296 50 0 DIAARN CCN(C)C(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022331912 182318945 /nfs/dbraw/zinc/31/89/45/182318945.db2.gz BSEYDGXMIJHQDU-UHFFFAOYSA-N 0 0 312.413 4.481 50 0 DIAARN COCc1nc2ccccc2c(C)c1C(=O)OCc1ccccc1 ZINC000022356936 182319295 /nfs/dbraw/zinc/31/92/95/182319295.db2.gz RTMAKAXARVAKHF-UHFFFAOYSA-N 0 0 321.376 4.047 50 0 DIAARN C[C@@]1(C(=O)N2CCCSc3ccccc32)CC1(Cl)Cl ZINC000022191382 182312854 /nfs/dbraw/zinc/31/28/54/182312854.db2.gz RMYQFMKXMSOIHB-ZDUSSCGKSA-N 0 0 316.253 4.099 50 0 DIAARN CN(Cc1ccccc1Br)c1nc2ccccc2o1 ZINC000022530543 182325758 /nfs/dbraw/zinc/32/57/58/182325758.db2.gz KEGBUUPJXQOLHO-UHFFFAOYSA-N 0 0 317.186 4.227 50 0 DIAARN CCCCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)on1 ZINC000022632725 182328949 /nfs/dbraw/zinc/32/89/49/182328949.db2.gz JVICCMMDZWAJIZ-UHFFFAOYSA-N 0 0 324.380 4.377 50 0 DIAARN CCC[C@H](C)NC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022628778 182329399 /nfs/dbraw/zinc/32/93/99/182329399.db2.gz KHVLYAFDTZWWRE-ZDUSSCGKSA-N 0 0 308.381 4.413 50 0 DIAARN CC(=O)c1cccc(NCC(=O)Nc2cccc(C(C)C)c2)c1 ZINC000022694993 182331422 /nfs/dbraw/zinc/33/14/22/182331422.db2.gz CUHPHBMBWUDREQ-UHFFFAOYSA-N 0 0 310.397 4.063 50 0 DIAARN CC(C)c1ccc(-c2nc(C(=O)NCC3CC3)cs2)cc1 ZINC000022992606 182344443 /nfs/dbraw/zinc/34/44/43/182344443.db2.gz QODUSMHRWPVOBM-UHFFFAOYSA-N 0 0 300.427 4.073 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)s1 ZINC000022815377 182336273 /nfs/dbraw/zinc/33/62/73/182336273.db2.gz DUCXCSZCZMXNFA-CQSZACIVSA-N 0 0 306.818 4.378 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2OC(F)F)C1(C)C ZINC000022839582 182336772 /nfs/dbraw/zinc/33/67/72/182336772.db2.gz RQOYXIBTUQGBBN-UKRRQHHQSA-N 0 0 323.383 4.143 50 0 DIAARN Cc1cc(F)ccc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000022842352 182336954 /nfs/dbraw/zinc/33/69/54/182336954.db2.gz KPIANWSKIZXIFJ-UHFFFAOYSA-N 0 0 308.374 4.025 50 0 DIAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1ccccc1 ZINC000022890137 182338919 /nfs/dbraw/zinc/33/89/19/182338919.db2.gz GERCVALYNCWQMN-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CNc1c(C)cccc1C ZINC000022894670 182339156 /nfs/dbraw/zinc/33/91/56/182339156.db2.gz KVZARYKYIKGYKX-UHFFFAOYSA-N 0 0 318.804 4.016 50 0 DIAARN Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000023177772 182352857 /nfs/dbraw/zinc/35/28/57/182352857.db2.gz XHVNYFIINRTCEU-PWSUYJOCSA-N 0 0 304.415 4.020 50 0 DIAARN COc1ccc(-c2csc(NCc3ccco3)n2)cc1F ZINC000023272980 182355588 /nfs/dbraw/zinc/35/55/88/182355588.db2.gz OCDKIJGSMXRTSJ-UHFFFAOYSA-N 0 0 304.346 4.163 50 0 DIAARN CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000023042569 182345463 /nfs/dbraw/zinc/34/54/63/182345463.db2.gz NHTFAJSSKXSETN-OAHLLOKOSA-N 0 0 312.438 4.472 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000023078810 182346906 /nfs/dbraw/zinc/34/69/06/182346906.db2.gz NDYPMLHZFXPOSI-BXUZGUMPSA-N 0 0 302.805 4.197 50 0 DIAARN CCc1cccc(CC)c1NC(=O)c1cc(OC)ccc1OC ZINC000023116246 182348403 /nfs/dbraw/zinc/34/84/03/182348403.db2.gz JNRFJSQIKJRAJO-UHFFFAOYSA-N 0 0 313.397 4.081 50 0 DIAARN CCOc1ccc(-c2cc3c(SC)nccn3n2)cc1Cl ZINC000023126593 182349113 /nfs/dbraw/zinc/34/91/13/182349113.db2.gz IQIRVETYXAQPRG-UHFFFAOYSA-N 0 0 319.817 4.170 50 0 DIAARN CN(Cc1ccco1)Cc1cnc(Nc2ccccc2F)s1 ZINC000023543813 182363378 /nfs/dbraw/zinc/36/33/78/182363378.db2.gz MYUHNMQMUDCQCB-UHFFFAOYSA-N 0 0 317.389 4.251 50 0 DIAARN 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ZINC000101154710 193808875 /nfs/dbraw/zinc/80/88/75/193808875.db2.gz PMCPFDDYQLLDOP-UYAOXDASSA-N 0 0 322.408 4.221 50 0 DIAARN Cc1cc(OCc2noc(-c3ccccc3Cl)n2)ccc1F ZINC000034906921 182742642 /nfs/dbraw/zinc/74/26/42/182742642.db2.gz OUQMEBWVMLDDCY-UHFFFAOYSA-N 0 0 318.735 4.417 50 0 DIAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)C(C)C)cc1 ZINC000034912930 182743279 /nfs/dbraw/zinc/74/32/79/182743279.db2.gz ZQZFIMRHALSPQN-UHFFFAOYSA-N 0 0 307.397 4.213 50 0 DIAARN Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2occc21 ZINC000036359017 182819407 /nfs/dbraw/zinc/81/94/07/182819407.db2.gz JCZIVVITXZKFBB-UHFFFAOYSA-N 0 0 309.152 4.330 50 0 DIAARN CCCCN(C(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000036783522 182842822 /nfs/dbraw/zinc/84/28/22/182842822.db2.gz GSIJSRYYXVFYBP-UHFFFAOYSA-N 0 0 324.424 4.021 50 0 DIAARN Clc1cccc(Cl)c1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000036964439 182855404 /nfs/dbraw/zinc/85/54/04/182855404.db2.gz WWZOJYZFMWMOFK-UHFFFAOYSA-N 0 0 321.163 4.308 50 0 DIAARN CC(C)c1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 ZINC000036730802 182838812 /nfs/dbraw/zinc/83/88/12/182838812.db2.gz VJHQSSHDXGMLAI-KRWDZBQOSA-N 0 0 309.365 4.050 50 0 DIAARN Cc1cccc(Cn2c(C(=O)NCC3CC3)cc3sccc32)c1 ZINC000037526038 182904329 /nfs/dbraw/zinc/90/43/29/182904329.db2.gz PODFDNSSRIUUOA-UHFFFAOYSA-N 0 0 324.449 4.199 50 0 DIAARN COC(=O)c1cc(Nc2ccccc2OC)c2cc(C)ccc2n1 ZINC000038486804 182999758 /nfs/dbraw/zinc/99/97/58/182999758.db2.gz BHJQOJIAMFPLRK-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN O=C(NCC1(c2cccs2)CCCC1)Nc1ccccc1 ZINC000038489649 183000353 /nfs/dbraw/zinc/00/03/53/183000353.db2.gz FZDJETXGKFEQKC-UHFFFAOYSA-N 0 0 300.427 4.382 50 0 DIAARN Cc1ccc2c(cccc2NC(=O)CSC2CCCC2)n1 ZINC000038489105 183000404 /nfs/dbraw/zinc/00/04/04/183000404.db2.gz BTLNVYMBYXVVEO-UHFFFAOYSA-N 0 0 300.427 4.158 50 0 DIAARN O=C(NCc1ccsc1)Nc1ccccc1C(F)(F)F ZINC000038586756 183003637 /nfs/dbraw/zinc/00/36/37/183003637.db2.gz AMQLYMROKCUHFT-UHFFFAOYSA-N 0 0 300.305 4.089 50 0 DIAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)sn1 ZINC000038680507 183006580 /nfs/dbraw/zinc/00/65/80/183006580.db2.gz DLZJBJYHTYJTBP-UHFFFAOYSA-N 0 0 308.406 4.222 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 ZINC000040012190 183027091 /nfs/dbraw/zinc/02/70/91/183027091.db2.gz KOSUTZQLHKADKS-IUODEOHRSA-N 0 0 303.427 4.056 50 0 DIAARN Cc1nc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)sc1C ZINC000040012197 183027195 /nfs/dbraw/zinc/02/71/95/183027195.db2.gz ZYXIKPWAWUHPDO-NOZJJQNGSA-N 0 0 304.415 4.048 50 0 DIAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 ZINC000040012191 183027603 /nfs/dbraw/zinc/02/76/03/183027603.db2.gz KOSUTZQLHKADKS-SWLSCSKDSA-N 0 0 303.427 4.056 50 0 DIAARN O=C(N[C@@H]1CCc2ccccc21)c1ccccc1C(F)(F)F ZINC000040018115 183027894 /nfs/dbraw/zinc/02/78/94/183027894.db2.gz DRNGDFTYBRISIY-OAHLLOKOSA-N 0 0 305.299 4.123 50 0 DIAARN Clc1snnc1CN1CCC(CCc2ccccc2)CC1 ZINC000040024260 183028163 /nfs/dbraw/zinc/02/81/63/183028163.db2.gz KLMBRHMRMCCUDP-UHFFFAOYSA-N 0 0 321.877 4.036 50 0 DIAARN Cc1nc(CSc2nccn2-c2cccc(C)c2)cs1 ZINC000040024319 183028193 /nfs/dbraw/zinc/02/81/93/183028193.db2.gz KRXRKPFXSLSRLZ-UHFFFAOYSA-N 0 0 301.440 4.238 50 0 DIAARN O=C(Nc1ccc2ccccc2n1)c1cc(Cl)ccc1F ZINC000040017210 183028282 /nfs/dbraw/zinc/02/82/82/183028282.db2.gz YORIBKBZCOTXJJ-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN Fc1ccc(OCc2noc(-c3cccs3)n2)c(Cl)c1 ZINC000040012297 183028400 /nfs/dbraw/zinc/02/84/00/183028400.db2.gz MPLSAMDPYDSSDC-UHFFFAOYSA-N 0 0 310.737 4.170 50 0 DIAARN Clc1ccccc1OCCSc1nnc(-c2ccco2)o1 ZINC000040033981 183029252 /nfs/dbraw/zinc/02/92/52/183029252.db2.gz OGSKKPBGUIZKGJ-UHFFFAOYSA-N 0 0 322.773 4.154 50 0 DIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC000040056860 183029694 /nfs/dbraw/zinc/02/96/94/183029694.db2.gz YSTAKKKOZUOKAE-LBPRGKRZSA-N 0 0 319.364 4.142 50 0 DIAARN Cc1cccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1C ZINC000040050736 183029880 /nfs/dbraw/zinc/02/98/80/183029880.db2.gz MMPGWXSVDOHRMU-KRWDZBQOSA-N 0 0 311.425 4.201 50 0 DIAARN CC(=O)Nc1cccc([C@@H](C)Nc2nc3ccccc3s2)c1 ZINC000040067599 183030495 /nfs/dbraw/zinc/03/04/95/183030495.db2.gz UTCNQCZZHWYLDF-LLVKDONJSA-N 0 0 311.410 4.428 50 0 DIAARN COc1cc(Cl)c(C)cc1N[C@@H](C)c1nc(C(C)C)no1 ZINC000040059762 183030762 /nfs/dbraw/zinc/03/07/62/183030762.db2.gz UYQJJADGVZYXSE-JTQLQIEISA-N 0 0 309.797 4.337 50 0 DIAARN O=S(=O)(C/C=C/c1ccccc1)Cc1ccc(F)cc1Cl ZINC000040060002 183030881 /nfs/dbraw/zinc/03/08/81/183030881.db2.gz GTWSHIGMFBFYOC-QPJJXVBHSA-N 0 0 324.804 4.107 50 0 DIAARN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC)cc21 ZINC000039436248 183018792 /nfs/dbraw/zinc/01/87/92/183018792.db2.gz PPWRFDXADJSEGF-UHFFFAOYSA-N 0 0 323.392 4.433 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(C)cc2)o1 ZINC000039975813 183025823 /nfs/dbraw/zinc/02/58/23/183025823.db2.gz YKJKBZRSUSFOFE-CQSZACIVSA-N 0 0 303.427 4.007 50 0 DIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C1CCC1 ZINC000039969493 183026096 /nfs/dbraw/zinc/02/60/96/183026096.db2.gz LRTQAVZOAPIROE-UHFFFAOYSA-N 0 0 303.789 4.359 50 0 DIAARN C[C@H](CNC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 ZINC000040145048 183039957 /nfs/dbraw/zinc/03/99/57/183039957.db2.gz FIDCIULVGFDRRR-GFCCVEGCSA-N 0 0 312.800 4.355 50 0 DIAARN Cc1ccccc1NCCC(=O)N(C)Cc1cccc(Cl)c1 ZINC000040159650 183041026 /nfs/dbraw/zinc/04/10/26/183041026.db2.gz VBOYGCSFAUGHGH-UHFFFAOYSA-N 0 0 316.832 4.109 50 0 DIAARN O=C(CCc1ccco1)Nc1nc(-c2cccs2)cs1 ZINC000040159992 183041223 /nfs/dbraw/zinc/04/12/23/183041223.db2.gz ROLOIXFUEMIMID-UHFFFAOYSA-N 0 0 304.396 4.036 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000040159721 183041414 /nfs/dbraw/zinc/04/14/14/183041414.db2.gz IZXSABYMAAUHPH-UHFFFAOYSA-N 0 0 313.401 4.039 50 0 DIAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OC)c1 ZINC000040162140 183042253 /nfs/dbraw/zinc/04/22/53/183042253.db2.gz DCPKMDDNVGBUTH-UHFFFAOYSA-N 0 0 309.818 4.072 50 0 DIAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(Cl)ccn1 ZINC000040081604 183032258 /nfs/dbraw/zinc/03/22/58/183032258.db2.gz SJQJVWUSPAFJIE-UHFFFAOYSA-N 0 0 313.744 4.006 50 0 DIAARN O=C(Nc1cccnc1Oc1ccccc1)c1ccccc1F ZINC000040087984 183032597 /nfs/dbraw/zinc/03/25/97/183032597.db2.gz GEAFOPFHTQAJMR-UHFFFAOYSA-N 0 0 308.312 4.265 50 0 DIAARN CCOc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000040095563 183034203 /nfs/dbraw/zinc/03/42/03/183034203.db2.gz GWFZAECCVSSJSI-HUUCEWRRSA-N 0 0 302.418 4.129 50 0 DIAARN CCOc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000040095576 183034210 /nfs/dbraw/zinc/03/42/10/183034210.db2.gz DTYFPAWKTMCOIO-UHFFFAOYSA-N 0 0 318.804 4.403 50 0 DIAARN Cc1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1C ZINC000040095358 183034244 /nfs/dbraw/zinc/03/42/44/183034244.db2.gz PEGYAZOYJCHOAZ-UHFFFAOYSA-N 0 0 302.805 4.321 50 0 DIAARN CCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000040095565 183034295 /nfs/dbraw/zinc/03/42/95/183034295.db2.gz GWFZAECCVSSJSI-GJZGRUSLSA-N 0 0 302.418 4.129 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)N(C)Cc1cccc(F)c1 ZINC000040096172 183034373 /nfs/dbraw/zinc/03/43/73/183034373.db2.gz QCJITAVIZLBVMH-UHFFFAOYSA-N 0 0 322.767 4.152 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000040097115 183034384 /nfs/dbraw/zinc/03/43/84/183034384.db2.gz JSUNECUFIGYMAO-PHIMTYICSA-N 0 0 316.323 4.095 50 0 DIAARN C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000040103186 183034732 /nfs/dbraw/zinc/03/47/32/183034732.db2.gz FOWWRRCYFWGCPE-SNVBAGLBSA-N 0 0 324.302 4.310 50 0 DIAARN CCc1cccc(NC(=O)N(CC)Cc2cccc(F)c2)c1 ZINC000040098830 183034914 /nfs/dbraw/zinc/03/49/14/183034914.db2.gz XPVYBRWEEVJGRM-UHFFFAOYSA-N 0 0 300.377 4.442 50 0 DIAARN C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1ccsc1 ZINC000040106900 183036290 /nfs/dbraw/zinc/03/62/90/183036290.db2.gz QJEOJYVRWHNICW-LBPRGKRZSA-N 0 0 307.846 4.082 50 0 DIAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccco3)cn2)c1 ZINC000040112433 183037418 /nfs/dbraw/zinc/03/74/18/183037418.db2.gz WVXAIITYSDXQPQ-UHFFFAOYSA-N 0 0 322.364 4.014 50 0 DIAARN CCc1sc(C(=O)Nc2ccccc2-n2cccn2)cc1C ZINC000040133815 183038622 /nfs/dbraw/zinc/03/86/22/183038622.db2.gz DPPJMMZAAGIMCA-UHFFFAOYSA-N 0 0 311.410 4.057 50 0 DIAARN Cc1ccc(Oc2ccc(NC(=O)c3ccco3)cn2)cc1C ZINC000040122692 183038793 /nfs/dbraw/zinc/03/87/93/183038793.db2.gz XWJHLAYQYXHILY-UHFFFAOYSA-N 0 0 308.337 4.336 50 0 DIAARN CCCc1ccccc1NC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000040133624 183038804 /nfs/dbraw/zinc/03/88/04/183038804.db2.gz ZPUPXVRWHSYJIH-UHFFFAOYSA-N 0 0 311.381 4.312 50 0 DIAARN CC(C)c1nc(CC(=O)N2CCCCc3ccccc32)cs1 ZINC000040133895 183038844 /nfs/dbraw/zinc/03/88/44/183038844.db2.gz CMBJFCIQRVXNMI-UHFFFAOYSA-N 0 0 314.454 4.179 50 0 DIAARN C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000040141176 183039056 /nfs/dbraw/zinc/03/90/56/183039056.db2.gz PUGIXYHJZMCQSO-UONOGXRCSA-N 0 0 317.429 4.325 50 0 DIAARN CC(C)c1nnc(NC(=O)N(C)[C@@H](C)c2ccccc2F)s1 ZINC000040150610 183039919 /nfs/dbraw/zinc/03/99/19/183039919.db2.gz AAKOOKVNTBVIRF-JTQLQIEISA-N 0 0 322.409 4.026 50 0 DIAARN COc1ccc(C)cc1N[C@H](C)c1nnc(-c2cccs2)o1 ZINC000040463470 183070962 /nfs/dbraw/zinc/07/09/62/183070962.db2.gz BRQJOOWOMGEGON-LLVKDONJSA-N 0 0 315.398 4.288 50 0 DIAARN CC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000040487532 183077644 /nfs/dbraw/zinc/07/76/44/183077644.db2.gz HIGURTDMJORZMY-AZUAARDMSA-N 0 0 322.408 4.365 50 0 DIAARN CC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000040487533 183078227 /nfs/dbraw/zinc/07/82/27/183078227.db2.gz HIGURTDMJORZMY-ICSRJNTNSA-N 0 0 322.408 4.365 50 0 DIAARN Cc1csc(CNC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000040525474 183091929 /nfs/dbraw/zinc/09/19/29/183091929.db2.gz OWQHKNFTAARFRU-UHFFFAOYSA-N 0 0 316.213 4.080 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(C)c3)C2)cc1 ZINC000102047507 193856569 /nfs/dbraw/zinc/85/65/69/193856569.db2.gz MHLVEHIPCKLOGK-LJQANCHMSA-N 0 0 316.408 4.205 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)c1cc2sccc2n1C ZINC000040798627 183134990 /nfs/dbraw/zinc/13/49/90/183134990.db2.gz XBIRAYHDKJVGOL-UHFFFAOYSA-N 0 0 320.801 4.154 50 0 DIAARN c1csc(C2=N[C@H]3N=C(c4ccccc4)S[C@@H]3S2)c1 ZINC000041097575 183165251 /nfs/dbraw/zinc/16/52/51/183165251.db2.gz VQTDDZJWSUBKFQ-BXUZGUMPSA-N 0 0 302.449 4.087 50 0 DIAARN CCSc1nc(SC)nc2nc(-c3ccccc3)oc21 ZINC000041154744 183178565 /nfs/dbraw/zinc/17/85/65/183178565.db2.gz UHGVPBPOIXSYHI-UHFFFAOYSA-N 0 0 303.412 4.119 50 0 DIAARN C[C@@H](Nc1nc(NC2CC2)nc2ccccc21)c1ccccc1 ZINC000041154083 183178762 /nfs/dbraw/zinc/17/87/62/183178762.db2.gz JSYJQFWYNJJEPV-CYBMUJFWSA-N 0 0 304.397 4.377 50 0 DIAARN CCOc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000041156800 183179264 /nfs/dbraw/zinc/17/92/64/183179264.db2.gz PQXCVFXTAJTQCE-UHFFFAOYSA-N 0 0 306.365 4.194 50 0 DIAARN Cc1nc(Cc2nnc(SCC3CCCCC3)o2)cs1 ZINC000041293804 183183963 /nfs/dbraw/zinc/18/39/63/183183963.db2.gz NQZHPSIUWKIBBW-UHFFFAOYSA-N 0 0 309.460 4.098 50 0 DIAARN Cc1ccc(-c2nc(CN(C)Cc3ccsc3)cs2)o1 ZINC000042122322 183234234 /nfs/dbraw/zinc/23/42/34/183234234.db2.gz VWRGLKRPQMAPLX-UHFFFAOYSA-N 0 0 304.440 4.405 50 0 DIAARN CC(C)CO[C@H](C)C(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000042474079 183273504 /nfs/dbraw/zinc/27/35/04/183273504.db2.gz UTCSDVGZXRMTMK-PBHICJAKSA-N 0 0 317.454 4.015 50 0 DIAARN O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)c1ccccn1 ZINC000042622217 183292177 /nfs/dbraw/zinc/29/21/77/183292177.db2.gz JPAQXNGFINDQDM-JLVIMGNISA-N 0 0 315.372 4.428 50 0 DIAARN CS[C@@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000042853372 183314142 /nfs/dbraw/zinc/31/41/42/183314142.db2.gz JIQXHPWYHGTEMU-AAEUAGOBSA-N 0 0 320.483 4.101 50 0 DIAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)c1 ZINC000043143386 183340424 /nfs/dbraw/zinc/34/04/24/183340424.db2.gz TUWDWMSVJNBRAN-LBPRGKRZSA-N 0 0 304.340 4.464 50 0 DIAARN CCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000043210422 183344398 /nfs/dbraw/zinc/34/43/98/183344398.db2.gz YFNGYJXDWSOXJK-UHFFFAOYSA-N 0 0 316.422 4.367 50 0 DIAARN CC(=O)Oc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000043209886 183344690 /nfs/dbraw/zinc/34/46/90/183344690.db2.gz XSNKBXYKRMGQKC-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CC[C@@](C)(CCC(C)C)c1ccc(OCCOCCO)cc1 ZINC000043214995 183344907 /nfs/dbraw/zinc/34/49/07/183344907.db2.gz MXEUZASFOXCTSR-IBGZPJMESA-N 0 0 308.462 4.178 50 0 DIAARN CC(=O)c1cccc(NC(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000043237779 183345942 /nfs/dbraw/zinc/34/59/42/183345942.db2.gz SORCTNXBGDPXLY-NSHDSACASA-N 0 0 314.410 4.102 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000043268221 183348981 /nfs/dbraw/zinc/34/89/81/183348981.db2.gz VDCSBPIFKGLLGY-CQSZACIVSA-N 0 0 323.755 4.145 50 0 DIAARN C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccs1 ZINC000043485844 183366808 /nfs/dbraw/zinc/36/68/08/183366808.db2.gz CTQSCQIPQXKXLW-CYBMUJFWSA-N 0 0 315.442 4.231 50 0 DIAARN CCC(C)(C)[C@@]1(C(C)(C)C)C(=O)N(C)C[C@H]1c1cccnc1 ZINC000044124084 183395458 /nfs/dbraw/zinc/39/54/58/183395458.db2.gz NCWYLZJHYGSCKP-HNAYVOBHSA-N 0 0 302.462 4.106 50 0 DIAARN COc1ccc(CSc2nncc3ccccc32)cc1F ZINC000044156715 183397205 /nfs/dbraw/zinc/39/72/05/183397205.db2.gz ZZGGWVTYDLJVSP-UHFFFAOYSA-N 0 0 300.358 4.070 50 0 DIAARN Cc1nc2ccccc2nc1CSc1nncc2ccccc21 ZINC000044156760 183397489 /nfs/dbraw/zinc/39/74/89/183397489.db2.gz WASORNULRFGVQE-UHFFFAOYSA-N 0 0 318.405 4.174 50 0 DIAARN COc1cc(C)ccc1-c1cn2c(ccc3ccc(C)nc32)n1 ZINC000045068346 183478934 /nfs/dbraw/zinc/47/89/34/183478934.db2.gz IAZJTARAWUBKCM-UHFFFAOYSA-N 0 0 303.365 4.175 50 0 DIAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000106644324 194240302 /nfs/dbraw/zinc/24/03/02/194240302.db2.gz MBHTVIULRIQAPH-FHLIZLRMSA-N 0 0 309.409 4.018 50 0 DIAARN CCc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cccc1 ZINC000049030938 183703195 /nfs/dbraw/zinc/70/31/95/183703195.db2.gz PSCVOHBPTQFEKY-LJQANCHMSA-N 0 0 304.393 4.279 50 0 DIAARN Cc1ccc(C)n1CCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000049031041 183703386 /nfs/dbraw/zinc/70/33/86/183703386.db2.gz DJFSQLYJYASFTE-UHFFFAOYSA-N 0 0 308.784 4.316 50 0 DIAARN O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cc(Cl)c[nH]1 ZINC000048951090 183699086 /nfs/dbraw/zinc/69/90/86/183699086.db2.gz ROLDYPDSOZBWHS-UHFFFAOYSA-N 0 0 309.196 4.131 50 0 DIAARN COc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 ZINC000051355944 183824220 /nfs/dbraw/zinc/82/42/20/183824220.db2.gz VDYPZKARXBSAOD-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN O=C(Nc1ccc(F)cc1F)Nc1cc(F)ccc1Cl ZINC000051354095 183824318 /nfs/dbraw/zinc/82/43/18/183824318.db2.gz ZWEJHSDXBANRKU-UHFFFAOYSA-N 0 0 300.667 4.401 50 0 DIAARN c1nn2c(nnc3c2ccnc3-c2ccccc2)c1-c1ccccc1 ZINC000054201933 183928730 /nfs/dbraw/zinc/92/87/30/183928730.db2.gz LANNLXYFXMILBF-UHFFFAOYSA-N 0 0 323.359 4.007 50 0 DIAARN CC[C@@H](C)N(Cc1ccsc1)C(=O)C1CCC(OC)CC1 ZINC000055569053 183991751 /nfs/dbraw/zinc/99/17/51/183991751.db2.gz YXTCOCRJSZASTF-IUDNXUCKSA-N 0 0 309.475 4.080 50 0 DIAARN Cc1nc(C)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(F)c2)s1 ZINC000056487753 184013341 /nfs/dbraw/zinc/01/33/41/184013341.db2.gz WXZCVSXJPQLUOQ-GXSJLCMTSA-N 0 0 321.421 4.020 50 0 DIAARN Cc1nc(C)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1 ZINC000056487755 184013377 /nfs/dbraw/zinc/01/33/77/184013377.db2.gz WXZCVSXJPQLUOQ-MWLCHTKSSA-N 0 0 321.421 4.020 50 0 DIAARN CCC(CC)[C@H](NC(=O)c1c(C)noc1C)c1cccs1 ZINC000056008200 184002499 /nfs/dbraw/zinc/00/24/99/184002499.db2.gz BCTLCAICVJCGSB-HNNXBMFYSA-N 0 0 306.431 4.260 50 0 DIAARN C[C@H](c1ccco1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 ZINC000056181459 184006532 /nfs/dbraw/zinc/00/65/32/184006532.db2.gz DKHZUOQMOUNDNU-CYBMUJFWSA-N 0 0 308.381 4.056 50 0 DIAARN COc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000056354054 184011234 /nfs/dbraw/zinc/01/12/34/184011234.db2.gz XWDBFIKBNBFPSA-LJQANCHMSA-N 0 0 324.424 4.050 50 0 DIAARN C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1ccncc1 ZINC000056383512 184011892 /nfs/dbraw/zinc/01/18/92/184011892.db2.gz IIAOLBAHRDUGKY-CHWSQXEVSA-N 0 0 317.820 4.199 50 0 DIAARN COc1c(Cl)cccc1NC(=O)N1CCc2sccc2C1 ZINC000056755660 184018873 /nfs/dbraw/zinc/01/88/73/184018873.db2.gz ZNXIFVNETNQHFU-UHFFFAOYSA-N 0 0 322.817 4.000 50 0 DIAARN CCC(CC)c1nnc(NC(=O)c2cc3ccccc3[nH]2)s1 ZINC000057329285 184033497 /nfs/dbraw/zinc/03/34/97/184033497.db2.gz OPPZVIAOGNMXCM-UHFFFAOYSA-N 0 0 314.414 4.175 50 0 DIAARN CCOc1ccc(-c2cc3c(=S)[nH]ccn3n2)cc1Cl ZINC000057352176 184034991 /nfs/dbraw/zinc/03/49/91/184034991.db2.gz AUQHPFVPVDPALC-UHFFFAOYSA-N 0 0 305.790 4.111 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1ccccc1C ZINC000057450398 184038945 /nfs/dbraw/zinc/03/89/45/184038945.db2.gz XZZYBMMTHGJTDU-UHFFFAOYSA-N 0 0 306.409 4.099 50 0 DIAARN O=c1c(Cl)cc(C(F)(F)F)cn1CCCc1ccccc1 ZINC000057501711 184040556 /nfs/dbraw/zinc/04/05/56/184040556.db2.gz AJVFKNHQVZBQLJ-UHFFFAOYSA-N 0 0 315.722 4.153 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc[nH]1 ZINC000058104618 184075367 /nfs/dbraw/zinc/07/53/67/184075367.db2.gz NFWCYUSAHMWWMT-LJQANCHMSA-N 0 0 321.424 4.182 50 0 DIAARN Cc1ccc(NC(=O)c2nc(C(C)C)cs2)c2cccnc12 ZINC000058109273 184075623 /nfs/dbraw/zinc/07/56/23/184075623.db2.gz YUDQORJOVZWVAR-UHFFFAOYSA-N 0 0 311.410 4.375 50 0 DIAARN O=C(Nc1cccc(C2SCCCS2)c1)c1ccc[nH]1 ZINC000057897390 184061273 /nfs/dbraw/zinc/06/12/73/184061273.db2.gz BWCXGFXSLHLDHO-UHFFFAOYSA-N 0 0 304.440 4.136 50 0 DIAARN CSCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000058162804 184083089 /nfs/dbraw/zinc/08/30/89/184083089.db2.gz JFAYUFDHEIMGRP-ZDUSSCGKSA-N 0 0 300.427 4.161 50 0 DIAARN Cc1noc(C)c1NC(=O)CCc1cccc(Cl)c1Cl ZINC000058190919 184085971 /nfs/dbraw/zinc/08/59/71/184085971.db2.gz DBYCUKRVOQLNCC-UHFFFAOYSA-N 0 0 313.184 4.170 50 0 DIAARN C[C@@H](CC[C@H]1CCCO1)NC(=O)c1occc1-c1ccccc1 ZINC000058195410 184086506 /nfs/dbraw/zinc/08/65/06/184086506.db2.gz APVKFVRTMLXBGY-GOEBONIOSA-N 0 0 313.397 4.024 50 0 DIAARN C[C@H](CC[C@H]1CCCO1)NC(=O)c1occc1-c1ccccc1 ZINC000058195412 184086597 /nfs/dbraw/zinc/08/65/97/184086597.db2.gz APVKFVRTMLXBGY-GDBMZVCRSA-N 0 0 313.397 4.024 50 0 DIAARN Cc1ccsc1CN(C)C(=O)Nc1cc(CC(C)(C)C)no1 ZINC000058209147 184088210 /nfs/dbraw/zinc/08/82/10/184088210.db2.gz GKPYEGKDTGSOLV-UHFFFAOYSA-N 0 0 321.446 4.297 50 0 DIAARN c1[nH]c(SCc2cn3ccccc3n2)nc1-c1ccccc1 ZINC000058367148 184109476 /nfs/dbraw/zinc/10/94/76/184109476.db2.gz IEHDGRIMYXOMEA-UHFFFAOYSA-N 0 0 306.394 4.017 50 0 DIAARN C[C@H]1c2ccsc2CCN1C(=O)c1nccc2ccccc21 ZINC000058366664 184109551 /nfs/dbraw/zinc/10/95/51/184109551.db2.gz VAPZWQTXSLFHCD-LBPRGKRZSA-N 0 0 308.406 4.056 50 0 DIAARN CC(C)Oc1ccc(CNC(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000058324790 184105054 /nfs/dbraw/zinc/10/50/54/184105054.db2.gz IREKYNYCXCJPBZ-UHFFFAOYSA-N 0 0 323.396 4.277 50 0 DIAARN Cc1cc(C)c(-c2csc(NC[C@@H]3CCCO3)n2)cc1C ZINC000058785147 184128834 /nfs/dbraw/zinc/12/88/34/184128834.db2.gz GBPQFEWVCQLGKC-AWEZNQCLSA-N 0 0 302.443 4.326 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N(C)C)c(C)c2)C1(C)C ZINC000058406877 184114251 /nfs/dbraw/zinc/11/42/51/184114251.db2.gz KORLCIVXVZRRHX-NVXWUHKLSA-N 0 0 300.446 4.238 50 0 DIAARN CCOc1ccccc1NC(=O)N(C)Cc1ccc(C)cc1C ZINC000058439424 184118349 /nfs/dbraw/zinc/11/83/49/184118349.db2.gz GDWFTDZNBIGJMF-UHFFFAOYSA-N 0 0 312.413 4.366 50 0 DIAARN C[C@H](C1CC1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000058439211 184118377 /nfs/dbraw/zinc/11/83/77/184118377.db2.gz MFOOUNWMMCYLTJ-SNVBAGLBSA-N 0 0 320.845 4.334 50 0 DIAARN CCn1c2ccccc2nc1Sc1cnc2ccccc2n1 ZINC000058583164 184123687 /nfs/dbraw/zinc/12/36/87/184123687.db2.gz ZHMIAUVBIJRHAU-UHFFFAOYSA-N 0 0 306.394 4.151 50 0 DIAARN Cc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000058645160 184125566 /nfs/dbraw/zinc/12/55/66/184125566.db2.gz QWUVZYHYIOKLML-UHFFFAOYSA-N 0 0 308.303 4.336 50 0 DIAARN CCOc1cccc([C@@H](C)NC(=O)C(C)(C)c2ccccc2)c1 ZINC000060183553 184145103 /nfs/dbraw/zinc/14/51/03/184145103.db2.gz ZOIPSSUJNZELRQ-OAHLLOKOSA-N 0 0 311.425 4.240 50 0 DIAARN CC(C)c1nnc(CN2Cc3ccccc3-c3ccccc3C2)o1 ZINC000060372829 184147710 /nfs/dbraw/zinc/14/77/10/184147710.db2.gz OSROMHLWXRCKRN-UHFFFAOYSA-N 0 0 319.408 4.376 50 0 DIAARN CCCn1c(SCc2ccccc2C)nc2ccccc2c1=O ZINC000059094188 184134427 /nfs/dbraw/zinc/13/44/27/184134427.db2.gz ZABQVNZWDSXTME-UHFFFAOYSA-N 0 0 324.449 4.407 50 0 DIAARN CC(C)N(C(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000059339751 184136642 /nfs/dbraw/zinc/13/66/42/184136642.db2.gz ADCBSFBZHIIYQD-UHFFFAOYSA-N 0 0 309.196 4.444 50 0 DIAARN COc1ccc2c(CN(C)c3cc(C)ccc3C)cc(=O)oc2c1 ZINC000059423292 184138652 /nfs/dbraw/zinc/13/86/52/184138652.db2.gz QBVLZZKASYNODN-UHFFFAOYSA-N 0 0 323.392 4.055 50 0 DIAARN CCn1ccnc1SCc1cccc(OCC(F)(F)F)c1 ZINC000059833569 184141429 /nfs/dbraw/zinc/14/14/29/184141429.db2.gz JDZLQFZMMCQPHB-UHFFFAOYSA-N 0 0 316.348 4.136 50 0 DIAARN CCc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C)s2)cc1 ZINC000061037264 184160157 /nfs/dbraw/zinc/16/01/57/184160157.db2.gz OMFXZVNTSYCFFC-UHFFFAOYSA-N 0 0 302.443 4.209 50 0 DIAARN CNc1nc2c(s1)[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000061717497 184184814 /nfs/dbraw/zinc/18/48/14/184184814.db2.gz HEPTXAXQPNQWKM-GFCCVEGCSA-N 0 0 301.415 4.432 50 0 DIAARN O=C(CCCc1ccccc1)Nc1nc(-c2ccccn2)cs1 ZINC000061719669 184185385 /nfs/dbraw/zinc/18/53/85/184185385.db2.gz NPRQKTQNIHEEQY-UHFFFAOYSA-N 0 0 323.421 4.167 50 0 DIAARN Cc1cccc2c1ccn2CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000062001295 184200258 /nfs/dbraw/zinc/20/02/58/184200258.db2.gz GEEKYUFBCXBJMD-UHFFFAOYSA-N 0 0 303.365 4.070 50 0 biogenic DIAARN O=Cc1c(-c2ccc(Cl)cc2Cl)nc2ccc(F)cn12 ZINC000061997513 184200352 /nfs/dbraw/zinc/20/03/52/184200352.db2.gz WEVOBGRMMZUTRZ-UHFFFAOYSA-N 0 0 309.127 4.260 50 0 DIAARN Cc1nc2ccccc2n1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000062580919 184244315 /nfs/dbraw/zinc/24/43/15/184244315.db2.gz PPYXYQFXBMOPBT-MRXNPFEDSA-N 0 0 320.314 4.097 50 0 DIAARN Fc1cc(Br)c(Br)c(C(F)(F)F)c1 ZINC000063360947 184281315 /nfs/dbraw/zinc/28/13/15/184281315.db2.gz GTORMFGZNQYAHS-UHFFFAOYSA-N 0 0 321.893 4.370 50 0 DIAARN FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F ZINC000063148478 184273805 /nfs/dbraw/zinc/27/38/05/184273805.db2.gz BZBLUUDREZEDDJ-UHFFFAOYSA-N 0 0 303.844 4.459 50 0 DIAARN Cc1ccc2c(cnn2C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000064472946 184298238 /nfs/dbraw/zinc/29/82/38/184298238.db2.gz KEUDZDPCHNPFFR-UHFFFAOYSA-N 0 0 303.724 4.217 50 0 DIAARN Cc1ccc(CNC(=O)c2cncc(-c3ccc(C)cc3)c2)cc1 ZINC000064568271 184299955 /nfs/dbraw/zinc/29/99/55/184299955.db2.gz VQAMULUZFLLHDO-UHFFFAOYSA-N 0 0 316.404 4.295 50 0 DIAARN Cc1ccc(CNC(=O)c2cncc(-c3cccc(C)c3)c2)cc1 ZINC000064568233 184299987 /nfs/dbraw/zinc/29/99/87/184299987.db2.gz PJWKQAJJRLXTTJ-UHFFFAOYSA-N 0 0 316.404 4.295 50 0 DIAARN Cc1n[nH]cc1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000063766981 184288291 /nfs/dbraw/zinc/28/82/91/184288291.db2.gz FMNDDWICJPVELQ-UHFFFAOYSA-N 0 0 301.415 4.005 50 0 DIAARN COc1ccc(Nc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064820817 184304001 /nfs/dbraw/zinc/30/40/01/184304001.db2.gz ASEZJPHUXUHPED-UHFFFAOYSA-N 0 0 318.336 4.037 50 0 DIAARN O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccco1 ZINC000064844869 184304822 /nfs/dbraw/zinc/30/48/22/184304822.db2.gz JBFJRAKVGKWETB-UHFFFAOYSA-N 0 0 323.352 4.240 50 0 DIAARN Cc1ccc(CNC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1 ZINC000065030049 184308732 /nfs/dbraw/zinc/30/87/32/184308732.db2.gz PIEYYGMZOIVYDW-UHFFFAOYSA-N 0 0 316.404 4.295 50 0 DIAARN Cc1cccc(-c2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC000065030051 184308790 /nfs/dbraw/zinc/30/87/90/184308790.db2.gz ZPOSTTDZBAXUMU-UHFFFAOYSA-N 0 0 316.404 4.329 50 0 DIAARN COc1ccccc1NC(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030127 184308827 /nfs/dbraw/zinc/30/88/27/184308827.db2.gz FBUTWXAMNIGWRC-UHFFFAOYSA-N 0 0 322.339 4.149 50 0 DIAARN O=C(NC1CCCCCC1)c1cncc(-c2ccc(F)cc2)c1 ZINC000065029637 184308998 /nfs/dbraw/zinc/30/89/98/184308998.db2.gz GBWXELDSHNBXGD-UHFFFAOYSA-N 0 0 312.388 4.340 50 0 DIAARN COc1ccc(NC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1 ZINC000065030036 184309060 /nfs/dbraw/zinc/30/90/60/184309060.db2.gz LTCXQFSVEAPVNJ-UHFFFAOYSA-N 0 0 318.376 4.318 50 0 DIAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)C1CCCC1 ZINC000065149301 184311555 /nfs/dbraw/zinc/31/15/55/184311555.db2.gz ZGYXBRIDKCKBMQ-UHFFFAOYSA-N 0 0 319.430 4.359 50 0 DIAARN Cc1nc2cc(-c3noc(-c4ccc(C)c(C)c4)n3)ccc2o1 ZINC000065149664 184311710 /nfs/dbraw/zinc/31/17/10/184311710.db2.gz LYXFBXZFPATHOZ-UHFFFAOYSA-N 0 0 305.337 4.470 50 0 DIAARN Cc1cccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)c1 ZINC000065137233 184311791 /nfs/dbraw/zinc/31/17/91/184311791.db2.gz YHAPMZGNWZEYGD-UHFFFAOYSA-N 0 0 316.364 4.113 50 0 DIAARN Cc1ccc(-c2ncccc2CNC(=O)c2cccc(C)c2)cc1 ZINC000065171361 184313620 /nfs/dbraw/zinc/31/36/20/184313620.db2.gz JPYHMPPMNGKIEF-UHFFFAOYSA-N 0 0 316.404 4.295 50 0 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CCCn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21 ZINC000065240654 184317795 /nfs/dbraw/zinc/31/77/95/184317795.db2.gz FTXLADFAEGDSAH-UHFFFAOYSA-N 0 0 324.409 4.149 50 0 DIAARN Cc1cc2c(cc1C(=O)Nc1cccc(Cl)c1)OCCCO2 ZINC000065315012 184324506 /nfs/dbraw/zinc/32/45/06/184324506.db2.gz UKAOYOJBSLHSJZ-UHFFFAOYSA-N 0 0 317.772 4.062 50 0 DIAARN Clc1ccc(Br)c(OC[C@@H]2CCCCO2)c1 ZINC000065337415 184325074 /nfs/dbraw/zinc/32/50/74/184325074.db2.gz WGTJEZOCAJITEH-JTQLQIEISA-N 0 0 305.599 4.050 50 0 DIAARN Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1Br ZINC000065336848 184325084 /nfs/dbraw/zinc/32/50/84/184325084.db2.gz CMNVKVHPODARGJ-UHFFFAOYSA-N 0 0 300.196 4.413 50 0 DIAARN c1coc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCCO2)c1 ZINC000065372483 184330121 /nfs/dbraw/zinc/33/01/21/184330121.db2.gz HVGAJXBWIZBENZ-INIZCTEOSA-N 0 0 308.381 4.379 50 0 DIAARN CCn1ncc(-c2c(-c3ccccc3)ncn2CC(C)C)c1C ZINC000065395727 184335131 /nfs/dbraw/zinc/33/51/31/184335131.db2.gz ZUUMHIQKQSWQIO-UHFFFAOYSA-N 0 0 308.429 4.398 50 0 DIAARN 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Cc1cc(C)cc(NC(=S)NC(=O)c2cc3ccccc3o2)c1 ZINC000000048614 563211881 /nfs/dbraw/zinc/21/18/81/563211881.db2.gz IJTUWLNTVPALCC-UHFFFAOYSA-N 0 0 324.405 4.176 50 0 DIAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000000048977 563211934 /nfs/dbraw/zinc/21/19/34/563211934.db2.gz BEEDJFAWJSIUQX-UHFFFAOYSA-N 0 0 321.833 4.492 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)c1ccc(F)cc1 ZINC000000060028 563212215 /nfs/dbraw/zinc/21/22/15/563212215.db2.gz XPCVXNBKCQHFFK-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1ccc(C(=O)CCNc2ccc(Br)cc2)o1 ZINC000000058955 563212221 /nfs/dbraw/zinc/21/22/21/563212221.db2.gz RKGNSHZNUQVICP-UHFFFAOYSA-N 0 0 308.175 4.035 50 0 DIAARN CCN(CC)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000000060763 563212242 /nfs/dbraw/zinc/21/22/42/563212242.db2.gz MSYGIHBLBNAEQS-UHFFFAOYSA-N 0 0 304.340 4.063 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000000062333 563212520 /nfs/dbraw/zinc/21/25/20/563212520.db2.gz ATRDRQNQCQXGPL-ONNFQVAWSA-N 0 0 317.772 4.009 50 0 biogenic DIAARN COc1cc(SC)ccc1C(=O)NC1CCCCCCC1 ZINC000000063385 563212566 /nfs/dbraw/zinc/21/25/66/563212566.db2.gz KAYDFFVUXBITLC-UHFFFAOYSA-N 0 0 307.459 4.260 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000063639 563212591 /nfs/dbraw/zinc/21/25/91/563212591.db2.gz NVJLSTITRSJCET-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000000068122 563212773 /nfs/dbraw/zinc/21/27/73/563212773.db2.gz WJQXKWDUXINATL-UHFFFAOYSA-N 0 0 322.364 4.430 50 0 DIAARN CCOC(=O)c1c2ccc(C(C)(C)C)cc2sc1NC(C)=O ZINC000000068101 563212850 /nfs/dbraw/zinc/21/28/50/563212850.db2.gz MGKBWSKIRKCLIJ-UHFFFAOYSA-N 0 0 319.426 4.334 50 0 DIAARN c1ccc(-c2cc(-c3ccccc3)c(N3CCCC3)nn2)cc1 ZINC000000074849 563213358 /nfs/dbraw/zinc/21/33/58/563213358.db2.gz KHNMPUHBSWOSEA-UHFFFAOYSA-N 0 0 301.393 4.411 50 0 DIAARN CC1=CC(C)(C)Nc2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000075409 563213792 /nfs/dbraw/zinc/21/37/92/563213792.db2.gz CLUHLYUWVGPJPV-UHFFFAOYSA-N 0 0 323.392 4.278 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000077865 563214165 /nfs/dbraw/zinc/21/41/65/563214165.db2.gz XEIPRJCDIRWOCT-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN CCOC(=O)c1c(C)csc1NC(=O)c1ccccc1Cl ZINC000000080443 563214577 /nfs/dbraw/zinc/21/45/77/563214577.db2.gz YJYGIRFJHIMFHK-UHFFFAOYSA-N 0 0 323.801 4.139 50 0 DIAARN CC[C@@H]1CCc2c(sc3ncnc(N4CCC(C)CC4)c23)C1 ZINC000000089230 563215223 /nfs/dbraw/zinc/21/52/23/563215223.db2.gz MKEYDNJPUKCPJA-CYBMUJFWSA-N 0 0 315.486 4.443 50 0 DIAARN CC(C)(C)c1ccc(OCc2nc(-c3ccncc3)no2)cc1 ZINC000000087923 563215242 /nfs/dbraw/zinc/21/52/42/563215242.db2.gz FXOLTKMWHJVQSN-UHFFFAOYSA-N 0 0 309.369 4.008 50 0 DIAARN Cc1sc2ncnc(SCC(=O)c3cccs3)c2c1C ZINC000000090255 563215695 /nfs/dbraw/zinc/21/56/95/563215695.db2.gz AORGNQYBQYBVCN-UHFFFAOYSA-N 0 0 320.464 4.345 50 0 aggregator DIAARN Cc1ccc(SCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000000093663 563215761 /nfs/dbraw/zinc/21/57/61/563215761.db2.gz CCQREGQAHVCTIP-UHFFFAOYSA-N 0 0 311.328 4.143 50 0 DIAARN CCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C ZINC000000090245 563215779 /nfs/dbraw/zinc/21/57/79/563215779.db2.gz WYTBYQZYJIGCBO-UHFFFAOYSA-N 0 0 301.386 4.438 50 0 DIAARN COc1cc2ccccc2cc1C(=O)N[C@H](C)Cc1ccccc1 ZINC000000091815 563215926 /nfs/dbraw/zinc/21/59/26/563215926.db2.gz OHYWKROXXGTIQQ-OAHLLOKOSA-N 0 0 319.404 4.209 50 0 DIAARN Cc1cc2nc(SCc3nc4ccccc4[nH]3)[nH]c2cc1C ZINC000000098249 563216433 /nfs/dbraw/zinc/21/64/33/563216433.db2.gz OOCIFSSQWAVZKC-UHFFFAOYSA-N 0 0 308.410 4.348 50 0 DIAARN O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1 ZINC000000099154 563217036 /nfs/dbraw/zinc/21/70/36/563217036.db2.gz DZPNNNDCGULPOA-IBGZPJMESA-N 0 0 302.329 4.324 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)c1cc2ccccc2oc1=O ZINC000000101876 563217364 /nfs/dbraw/zinc/21/73/64/563217364.db2.gz SEOQLFFWINUBKX-UHFFFAOYSA-N 0 0 321.376 4.477 50 0 DIAARN Cc1cc(C)n(-c2ncnc3sc(C)c(-c4ccccc4)c32)n1 ZINC000000102579 563217644 /nfs/dbraw/zinc/21/76/44/563217644.db2.gz SVPTYFQAPONVFM-UHFFFAOYSA-N 0 0 320.421 4.469 50 0 DIAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccco1 ZINC000000106500 563218019 /nfs/dbraw/zinc/21/80/19/563218019.db2.gz YVAABBIEUQFOLE-UHFFFAOYSA-N 0 0 304.305 4.340 50 0 DIAARN Fc1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000000105585 563218099 /nfs/dbraw/zinc/21/80/99/563218099.db2.gz ODXUAOFJOWLDPH-UHFFFAOYSA-N 0 0 313.353 4.387 50 0 DIAARN Cc1c(C)n(C[C@H](O)CNc2cccc(C)c2)c2ccccc12 ZINC000000106232 563218236 /nfs/dbraw/zinc/21/82/36/563218236.db2.gz SQIZBICNRMMFMM-GOSISDBHSA-N 0 0 308.425 4.040 50 0 DIAARN Cc1ccc(OCc2ccccc2C(=O)Nc2nccs2)cc1 ZINC000000106691 563218252 /nfs/dbraw/zinc/21/82/52/563218252.db2.gz VCHOFVYWPRWTPH-UHFFFAOYSA-N 0 0 324.405 4.283 50 0 DIAARN CC(C)(C)c1cc(C(C)(C)C)n(-c2cnc3ccccc3n2)n1 ZINC000000112984 563219106 /nfs/dbraw/zinc/21/91/06/563219106.db2.gz UAWZGSSZEJHWJY-UHFFFAOYSA-N 0 0 308.429 4.411 50 0 DIAARN Brc1ccc(-c2csc(-c3cnccn3)n2)cc1 ZINC000000112755 563219196 /nfs/dbraw/zinc/21/91/96/563219196.db2.gz FIWIWZVYYWFTHG-UHFFFAOYSA-N 0 0 318.199 4.030 50 0 DIAARN CC(C)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000000115408 563219286 /nfs/dbraw/zinc/21/92/86/563219286.db2.gz ZVUBONDBUDOMMX-UHFFFAOYSA-N 0 0 323.392 4.398 50 0 DIAARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000000115626 563219440 /nfs/dbraw/zinc/21/94/40/563219440.db2.gz YTROEXRMPOAKOU-UHFFFAOYSA-N 0 0 302.420 4.384 50 0 DIAARN O=C(Oc1ccc(C2=NCCS2)cc1)c1ccc(Cl)cc1 ZINC000000119940 563219842 /nfs/dbraw/zinc/21/98/42/563219842.db2.gz GZDJUPJALJDHSB-UHFFFAOYSA-N 0 0 317.797 4.053 50 0 DIAARN CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1 ZINC000000120043 563220023 /nfs/dbraw/zinc/22/00/23/563220023.db2.gz CVJGNNYDVQYHEO-UHFFFAOYSA-N 0 0 305.333 4.017 50 0 DIAARN O=c1oc(-c2ccccc2Cl)nc2sc3c(c21)CCC3 ZINC000000127236 563221143 /nfs/dbraw/zinc/22/11/43/563221143.db2.gz NQQHAYQNGIKJGS-UHFFFAOYSA-N 0 0 303.770 4.059 50 0 DIAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 ZINC000000127491 563221245 /nfs/dbraw/zinc/22/12/45/563221245.db2.gz WFUPSQLVJUNXKH-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN O=C(NCc1csc(-c2cccs2)n1)C1CCCCC1 ZINC000000131562 563221608 /nfs/dbraw/zinc/22/16/08/563221608.db2.gz DDPYWFUJHDDYKU-UHFFFAOYSA-N 0 0 306.456 4.068 50 0 DIAARN CCc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000000134785 563222073 /nfs/dbraw/zinc/22/20/73/563222073.db2.gz ZTQRIEJTRZORCJ-UHFFFAOYSA-N 0 0 311.406 4.203 50 0 DIAARN COc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000000137590 563222794 /nfs/dbraw/zinc/22/27/94/563222794.db2.gz LYUKENSPVKLNOI-UHFFFAOYSA-N 0 0 310.275 4.358 50 0 DIAARN COc1cccc(NC(=S)N[C@@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000000136881 563222967 /nfs/dbraw/zinc/22/29/67/563222967.db2.gz HEEYGXFJGHYMPM-GXTWGEPZSA-N 0 0 306.475 4.196 50 0 DIAARN CN(C)c1cc(-c2cc(Cl)sc2Cl)oc(=O)c1Cl ZINC000000142412 563223430 /nfs/dbraw/zinc/22/34/30/563223430.db2.gz BQHVKLDZRBYUTC-UHFFFAOYSA-N 0 0 324.616 4.395 50 0 DIAARN CC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000000141298 563223544 /nfs/dbraw/zinc/22/35/44/563223544.db2.gz BYUALARVKBHBRF-UHFFFAOYSA-N 0 0 303.576 4.344 50 0 DIAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C)cc1C ZINC000000145188 563223956 /nfs/dbraw/zinc/22/39/56/563223956.db2.gz RZAVZHNPLYSRMV-UHFFFAOYSA-N 0 0 311.425 4.446 50 0 DIAARN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000145194 563224033 /nfs/dbraw/zinc/22/40/33/563224033.db2.gz YHHDZTQTDPGVTB-UHFFFAOYSA-N 0 0 323.845 4.266 50 0 DIAARN CCCn1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O ZINC000000149238 563224458 /nfs/dbraw/zinc/22/44/58/563224458.db2.gz KRWKDXKTXAQGAV-UHFFFAOYSA-N 0 0 312.438 4.460 50 0 DIAARN O=C(Oc1ccccc1Cl)c1ccc(Br)cc1 ZINC000000149546 563224655 /nfs/dbraw/zinc/22/46/55/563224655.db2.gz NIFUYNDYIWECMX-UHFFFAOYSA-N 0 0 311.562 4.322 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000000149407 563224719 /nfs/dbraw/zinc/22/47/19/563224719.db2.gz AHCYZBZRGRXYJK-UHFFFAOYSA-N 0 0 317.841 4.412 50 0 DIAARN Brc1cccc(Nc2ncnc3ccccc32)c1 ZINC000000151213 563225236 /nfs/dbraw/zinc/22/52/36/563225236.db2.gz SUTRLYZWRGPLSJ-UHFFFAOYSA-N 0 0 300.159 4.136 50 0 in-vivo DIAARN CCC(CC)c1nnc(NC(=O)c2ccc(C)c(C)c2)s1 ZINC000000151150 563225240 /nfs/dbraw/zinc/22/52/40/563225240.db2.gz LORDJSQIURWGEA-UHFFFAOYSA-N 0 0 303.431 4.311 50 0 DIAARN COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000000153436 563225278 /nfs/dbraw/zinc/22/52/78/563225278.db2.gz LUCCBUCCCONRHR-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN O=C(Nc1nnc(C2CC2)s1)Nc1cccc2ccccc21 ZINC000000155070 563225305 /nfs/dbraw/zinc/22/53/05/563225305.db2.gz OQLCCTQKZSZKPT-UHFFFAOYSA-N 0 0 310.382 4.213 50 0 DIAARN C[C@@H](Oc1ccccc1-c1ccccc1)c1n[nH]c(=S)n1C ZINC000000163585 563226218 /nfs/dbraw/zinc/22/62/18/563226218.db2.gz RGVMTGIPWBIZHT-GFCCVEGCSA-N 0 0 311.410 4.285 50 0 DIAARN CCOC(=O)c1sc(-c2cccc(C(F)(F)F)c2)nc1C ZINC000000167835 563226372 /nfs/dbraw/zinc/22/63/72/563226372.db2.gz PHSFBESZXIUREP-UHFFFAOYSA-N 0 0 315.316 4.314 50 0 DIAARN O=C(Nc1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000000165994 563226385 /nfs/dbraw/zinc/22/63/85/563226385.db2.gz COMQGLYKWLBFQB-UHFFFAOYSA-N 0 0 301.436 4.418 50 0 DIAARN O=c1oc(-c2cccc(C(F)(F)F)c2)nc2cccc(F)c21 ZINC000000166433 563226453 /nfs/dbraw/zinc/22/64/53/563226453.db2.gz SIMHBJVDEZVRLT-UHFFFAOYSA-N 0 0 309.218 4.013 50 0 DIAARN COc1ccc(CNC(=O)Nc2cc(SC)ccc2C)cc1 ZINC000000171304 563226818 /nfs/dbraw/zinc/22/68/18/563226818.db2.gz HEXLJCDTEHEREL-UHFFFAOYSA-N 0 0 316.426 4.047 50 0 DIAARN Cc1cc2nc(-c3ccc4c(c3)CCC4)cc(C(F)(F)F)n2n1 ZINC000000171439 563226931 /nfs/dbraw/zinc/22/69/31/563226931.db2.gz MQDAOKMOAPNHJY-UHFFFAOYSA-N 0 0 317.314 4.212 50 0 DIAARN Cc1ccccc1-c1nc2c(Cl)cc(Cl)cc2c(=O)o1 ZINC000000182070 563228475 /nfs/dbraw/zinc/22/84/75/563228475.db2.gz ZEKDYPXOZBPTPM-UHFFFAOYSA-N 0 0 306.148 4.470 50 0 DIAARN Cc1ccc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)sc2c1 ZINC000000181823 563228670 /nfs/dbraw/zinc/22/86/70/563228670.db2.gz NESIPWZEOBVNIT-KBPBESRZSA-N 0 0 308.406 4.347 50 0 DIAARN CCCc1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 ZINC000000185809 563229123 /nfs/dbraw/zinc/22/91/23/563229123.db2.gz NWWKKCXAZNSVMT-UHFFFAOYSA-N 0 0 314.381 4.013 50 0 biogenic DIAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)c(Cl)c1 ZINC000000198363 563229646 /nfs/dbraw/zinc/22/96/46/563229646.db2.gz YGLRJTXPAUVINP-UHFFFAOYSA-N 0 0 310.825 4.309 50 0 DIAARN Cc1ccccc1NC(=O)c1c(N)sc2c1CC[C@@H](C)C2 ZINC000000191620 563229655 /nfs/dbraw/zinc/22/96/55/563229655.db2.gz CTHCBCDUOPNUAP-SNVBAGLBSA-N 0 0 300.427 4.016 50 0 DIAARN Cc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c1 ZINC000000191335 563229737 /nfs/dbraw/zinc/22/97/37/563229737.db2.gz OWTKRCQLQBMPJC-UHFFFAOYSA-N 0 0 320.175 4.411 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(C)CC1 ZINC000000196260 563229762 /nfs/dbraw/zinc/22/97/62/563229762.db2.gz AOTPWCKCBCSTFB-UHFFFAOYSA-N 0 0 318.804 4.176 50 0 DIAARN CCOc1ccccc1NC(=O)c1cc2ccccc2cc1O ZINC000000198415 563229815 /nfs/dbraw/zinc/22/98/15/563229815.db2.gz NXIGDUAONGBUKR-UHFFFAOYSA-N 0 0 307.349 4.196 50 0 DIAARN O=C(NCc1cccs1)C1c2ccccc2Oc2ccccc21 ZINC000000204351 563230300 /nfs/dbraw/zinc/23/03/00/563230300.db2.gz XUVHJGLSJZJVAJ-UHFFFAOYSA-N 0 0 321.401 4.302 50 0 DIAARN O=C(c1ccccc1)[C@@H](Sc1ncccn1)c1ccccc1 ZINC000000216316 563230798 /nfs/dbraw/zinc/23/07/98/563230798.db2.gz YNFSWDGZRBVYPD-KRWDZBQOSA-N 0 0 306.390 4.193 50 0 DIAARN FC(F)(F)c1cc(-c2cccs2)nc(N2CCCCC2)n1 ZINC000000213270 563230875 /nfs/dbraw/zinc/23/08/75/563230875.db2.gz ZDJFHTFLHOCADK-UHFFFAOYSA-N 0 0 313.348 4.214 50 0 DIAARN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 ZINC000000214491 563230944 /nfs/dbraw/zinc/23/09/44/563230944.db2.gz QOTADBAKMSZKCW-UHFFFAOYSA-N 0 0 305.377 4.431 50 0 DIAARN Cc1cc(C)n(-c2nc(-c3ccc(C)cc3)nc3ccccc32)n1 ZINC000000227055 563231619 /nfs/dbraw/zinc/23/16/19/563231619.db2.gz RGDVTSWXYXDOST-UHFFFAOYSA-N 0 0 314.392 4.408 50 0 DIAARN CCOc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000000238959 563232032 /nfs/dbraw/zinc/23/20/32/563232032.db2.gz MIRWGWMAXKTKBL-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000235847 563232139 /nfs/dbraw/zinc/23/21/39/563232139.db2.gz ZATVTEDXNKZSDM-UHFFFAOYSA-N 0 0 317.388 4.466 50 0 DIAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000238999 563232142 /nfs/dbraw/zinc/23/21/42/563232142.db2.gz WOCRPQALAZOIFS-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN COc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccccc1 ZINC000000235391 563232196 /nfs/dbraw/zinc/23/21/96/563232196.db2.gz FYAMUYKQZCXSLH-UHFFFAOYSA-N 0 0 307.393 4.404 50 0 DIAARN CCc1cc2c(ncnc2SCC(=O)c2cccs2)s1 ZINC000000236986 563232326 /nfs/dbraw/zinc/23/23/26/563232326.db2.gz FYACVTKOHSCYNY-UHFFFAOYSA-N 0 0 320.464 4.290 50 0 aggregator DIAARN S=C(NCc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000000240274 563232779 /nfs/dbraw/zinc/23/27/79/563232779.db2.gz LWUNLBFGQSIDBQ-UHFFFAOYSA-N 0 0 311.237 4.480 50 0 DIAARN O=C(Nc1ccccc1Br)c1ccccc1Cl ZINC000000241459 563232804 /nfs/dbraw/zinc/23/28/04/563232804.db2.gz OMXVZDKJIPLDCB-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN O=C(Oc1cccc(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000000241689 563232929 /nfs/dbraw/zinc/23/29/29/563232929.db2.gz SUQGLJRNDJRARS-UHFFFAOYSA-N 0 0 318.328 4.125 50 0 DIAARN COc1cccc(CNc2ccc(Br)c(C)c2)c1 ZINC000000263290 563234716 /nfs/dbraw/zinc/23/47/16/563234716.db2.gz YXAHUQRVIICTFC-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN COc1ccc(CNc2ccc(Br)c(C)c2)cc1 ZINC000000263407 563234873 /nfs/dbraw/zinc/23/48/73/563234873.db2.gz TVSGYYBDIMNSGG-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN Cc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12 ZINC000000278233 563235286 /nfs/dbraw/zinc/23/52/86/563235286.db2.gz NZTULLANRUVUNR-UHFFFAOYSA-N 0 0 300.741 4.334 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Cl)c(C)c1 ZINC000000271473 563235374 /nfs/dbraw/zinc/23/53/74/563235374.db2.gz YLRZYNRBZNGNRK-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN COc1ccc(Br)cc1CNc1cccc(F)c1 ZINC000000280091 563235481 /nfs/dbraw/zinc/23/54/81/563235481.db2.gz OREZRSFLHMTSDK-UHFFFAOYSA-N 0 0 310.166 4.209 50 0 DIAARN CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000288457 563236487 /nfs/dbraw/zinc/23/64/87/563236487.db2.gz VZHJVVYKQOFVFF-UHFFFAOYSA-N 0 0 323.436 4.180 50 0 DIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(Br)cn2)C1(C)C ZINC000000291946 563236531 /nfs/dbraw/zinc/23/65/31/563236531.db2.gz AXIVSTHBJFCRNV-WCQYABFASA-N 0 0 323.234 4.021 50 0 DIAARN COc1ccc(C)cc1NCc1cccc(Br)c1 ZINC000000293404 563236589 /nfs/dbraw/zinc/23/65/89/563236589.db2.gz HGXDMMUKSIJRRI-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN Cc1nc2sc(C(=O)c3ccc(F)cc3)c(N)c2c(C)c1C ZINC000000297092 563237202 /nfs/dbraw/zinc/23/72/02/563237202.db2.gz JGMKVXVTLBCOQC-UHFFFAOYSA-N 0 0 314.385 4.174 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000000298837 563237426 /nfs/dbraw/zinc/23/74/26/563237426.db2.gz ITYPXSYETZZYQU-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN CC(C)c1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1 ZINC000000303133 563237682 /nfs/dbraw/zinc/23/76/82/563237682.db2.gz YNIGTEXDFAAHKW-UHFFFAOYSA-N 0 0 306.361 4.342 50 0 DIAARN C[C@@H]1CCc2sc3ncnc(NCCc4ccccc4)c3c2C1 ZINC000000306736 563238371 /nfs/dbraw/zinc/23/83/71/563238371.db2.gz SSEQLTKRQCERGE-CYBMUJFWSA-N 0 0 323.465 4.471 50 0 DIAARN Cc1cccc(NC(=S)NCCc2ccc(Cl)cc2)c1C ZINC000000305094 563238419 /nfs/dbraw/zinc/23/84/19/563238419.db2.gz OUHCBIATBUUDPO-UHFFFAOYSA-N 0 0 318.873 4.486 50 0 DIAARN C[C@H]1CCc2sc3ncnc(N4CCCCCC4)c3c2C1 ZINC000000305261 563238588 /nfs/dbraw/zinc/23/85/88/563238588.db2.gz KBQSQBAVMXDLRI-LBPRGKRZSA-N 0 0 301.459 4.197 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000000306798 563238620 /nfs/dbraw/zinc/23/86/20/563238620.db2.gz FHQBTGSVGGHREM-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN O=C(Nc1cccc(Br)c1)c1cc2ccccc2o1 ZINC000000310170 563238998 /nfs/dbraw/zinc/23/89/98/563238998.db2.gz QXXJKCVHFOPREC-UHFFFAOYSA-N 0 0 316.154 4.448 50 0 DIAARN COc1ccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc1 ZINC000000309215 563239001 /nfs/dbraw/zinc/23/90/01/563239001.db2.gz FKEBKMXXVZRHGN-UHFFFAOYSA-N 0 0 324.380 4.488 50 0 DIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000309400 563239017 /nfs/dbraw/zinc/23/90/17/563239017.db2.gz BGLRYPKWFGDVHV-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN Brc1ccc(-c2csc(N3CCCC3)n2)cc1 ZINC000000308613 563239068 /nfs/dbraw/zinc/23/90/68/563239068.db2.gz IRARKVLHMVETPL-UHFFFAOYSA-N 0 0 309.232 4.173 50 0 DIAARN Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000000308875 563239160 /nfs/dbraw/zinc/23/91/60/563239160.db2.gz ZNFZOKHTJWZROU-UHFFFAOYSA-N 0 0 323.417 4.463 50 0 DIAARN c1coc(-c2nc3ccccc3n2CCOc2ccccc2)c1 ZINC000000307565 563239212 /nfs/dbraw/zinc/23/92/12/563239212.db2.gz YFXYPPMYYWKFQS-UHFFFAOYSA-N 0 0 304.349 4.375 50 0 DIAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000000311601 563239518 /nfs/dbraw/zinc/23/95/18/563239518.db2.gz JZVKTECSYXJMAE-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 ZINC000000311374 563239526 /nfs/dbraw/zinc/23/95/26/563239526.db2.gz ILWVTVGGARYDIR-UHFFFAOYSA-N 0 0 306.192 4.192 50 0 DIAARN CSc1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000000312977 563239761 /nfs/dbraw/zinc/23/97/61/563239761.db2.gz DRNFDTUPGWUQBM-UHFFFAOYSA-N 0 0 318.401 4.261 50 0 DIAARN Cc1cc(NC(=O)/C=C/c2ccco2)ccc1Br ZINC000000310676 563239797 /nfs/dbraw/zinc/23/97/97/563239797.db2.gz WRPSKZSPOBXRKX-FNORWQNLSA-N 0 0 306.159 4.002 50 0 DIAARN Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccccc1F ZINC000000315397 563240053 /nfs/dbraw/zinc/24/00/53/563240053.db2.gz CVMWVTMKYUIPHP-UHFFFAOYSA-N 0 0 314.316 4.036 50 0 DIAARN O=C(Nc1ncccc1Cl)c1ccc(Cl)cc1Cl ZINC000000316333 563240222 /nfs/dbraw/zinc/24/02/22/563240222.db2.gz VSOZHOSVMMNLPA-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN C[C@H](NC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000000319290 563240753 /nfs/dbraw/zinc/24/07/53/563240753.db2.gz BSBKUBHPGZTEOE-HNNXBMFYSA-N 0 0 302.377 4.240 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccccc1Cl ZINC000000318298 563240900 /nfs/dbraw/zinc/24/09/00/563240900.db2.gz GJGUCVWTRKNLIY-BUYIWHAFSA-N 0 0 313.828 4.491 50 0 DIAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000000318516 563240952 /nfs/dbraw/zinc/24/09/52/563240952.db2.gz FEODNGJHFOPRNR-CQSZACIVSA-N 0 0 303.427 4.142 50 0 DIAARN Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000000341321 563241981 /nfs/dbraw/zinc/24/19/81/563241981.db2.gz JHWVSXBKRCPFHS-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CC(C)(C)C1CCC(OC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000000340440 563241990 /nfs/dbraw/zinc/24/19/90/563241990.db2.gz XMDIEDGNZHHADV-UHFFFAOYSA-N 0 0 318.413 4.220 50 0 DIAARN Cc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000000341673 563242125 /nfs/dbraw/zinc/24/21/25/563242125.db2.gz JCPDWLRNJFTUCO-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN FC(F)Sc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000000352110 563243258 /nfs/dbraw/zinc/24/32/58/563243258.db2.gz ZGXDDPNRYRYWEP-UHFFFAOYSA-N 0 0 309.366 4.311 50 0 DIAARN COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000350353 563243266 /nfs/dbraw/zinc/24/32/66/563243266.db2.gz YPHLUJRTMSQQOF-AWEZNQCLSA-N 0 0 323.726 4.072 50 0 DIAARN Cc1ccc2c(c1)sc(C(=O)NCc1cccnc1)c2Cl ZINC000000356038 563243793 /nfs/dbraw/zinc/24/37/93/563243793.db2.gz AVGGXMQWEDJMQV-UHFFFAOYSA-N 0 0 316.813 4.188 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)c2c(Cl)cnn2CC)cc1 ZINC000000356096 563243828 /nfs/dbraw/zinc/24/38/28/563243828.db2.gz FXFNBSYTHRVBEM-LLVKDONJSA-N 0 0 305.809 4.322 50 0 DIAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1cccs1 ZINC000000359262 563244472 /nfs/dbraw/zinc/24/44/72/563244472.db2.gz YMQYJFDHCNAFEY-GHXNOFRVSA-N 0 0 324.188 4.399 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000000362301 563244962 /nfs/dbraw/zinc/24/49/62/563244962.db2.gz LFAGSIBXBGTHBX-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000000364414 563245296 /nfs/dbraw/zinc/24/52/96/563245296.db2.gz YLTUKPRDPTVIHE-UHFFFAOYSA-N 0 0 307.393 4.436 50 0 DIAARN CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000000364905 563245814 /nfs/dbraw/zinc/24/58/14/563245814.db2.gz ZWNPGCIMJGWHDG-HNNXBMFYSA-N 0 0 313.397 4.108 50 0 DIAARN O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000000371015 563246453 /nfs/dbraw/zinc/24/64/53/563246453.db2.gz MKUBNVMTENZGRX-UHFFFAOYSA-N 0 0 312.369 4.130 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1cc(C)ccc1C ZINC000000372652 563246558 /nfs/dbraw/zinc/24/65/58/563246558.db2.gz APPQXKHRYNMNKS-UHFFFAOYSA-N 0 0 301.411 4.286 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000000375245 563247044 /nfs/dbraw/zinc/24/70/44/563247044.db2.gz WTKIVBNMVZAPLW-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN COc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC(F)F ZINC000000375186 563247063 /nfs/dbraw/zinc/24/70/63/563247063.db2.gz MMSLLYVDMJHLFS-UHFFFAOYSA-N 0 0 321.323 4.166 50 0 DIAARN Cc1csc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1 ZINC000000376541 563247199 /nfs/dbraw/zinc/24/71/99/563247199.db2.gz VSLDECAEQZTDRX-JXMROGBWSA-N 0 0 300.427 4.401 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000380479 563247738 /nfs/dbraw/zinc/24/77/38/563247738.db2.gz ZRHGTCRPGNJQDO-UHFFFAOYSA-N 0 0 320.348 4.105 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000000380175 563247775 /nfs/dbraw/zinc/24/77/75/563247775.db2.gz OZDVVPJZSZZLBC-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN Cc1ccc(OC(=O)c2cc(F)c(Cl)nc2Cl)cc1C ZINC000000384940 563248621 /nfs/dbraw/zinc/24/86/21/563248621.db2.gz KTGVGJPOWTYBFT-UHFFFAOYSA-N 0 0 314.143 4.364 50 0 DIAARN Cc1cc(C)cc(-c2nn3c(nnc3-c3cccc(F)c3)s2)c1 ZINC000000385556 563248809 /nfs/dbraw/zinc/24/88/09/563248809.db2.gz KUULSAIKZZPEQR-UHFFFAOYSA-N 0 0 324.384 4.276 50 0 DIAARN CCSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000000387999 563249146 /nfs/dbraw/zinc/24/91/46/563249146.db2.gz AMHDMMWGZXFLKC-UHFFFAOYSA-N 0 0 302.424 4.072 50 0 DIAARN COc1ccc(-c2cn3ccc(C)cc3n2)cc1Br ZINC000000390660 563249147 /nfs/dbraw/zinc/24/91/47/563249147.db2.gz QNSRUONBZCCONU-UHFFFAOYSA-N 0 0 317.186 4.081 50 0 DIAARN Cc1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)cc1 ZINC000000386097 563249198 /nfs/dbraw/zinc/24/91/98/563249198.db2.gz XSRUKVWVCQSKMB-SNVBAGLBSA-N 0 0 315.225 4.331 50 0 DIAARN Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl ZINC000000386312 563249402 /nfs/dbraw/zinc/24/94/02/563249402.db2.gz DYHAMRNAHTWYKY-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 in-vitro DIAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000000392386 563249983 /nfs/dbraw/zinc/24/99/83/563249983.db2.gz HDUWQAHYVJUUDS-UHFFFAOYSA-N 0 0 317.797 4.294 50 0 DIAARN CSc1ncc(Oc2c(Cl)c(C)nc(C)c2Cl)cn1 ZINC000000392058 563249997 /nfs/dbraw/zinc/24/99/97/563249997.db2.gz KFDKTLCCLWNNIP-UHFFFAOYSA-N 0 0 316.213 4.309 50 0 DIAARN Cc1ccc(OCC(=O)c2ccccc2)c(Br)c1 ZINC000000397789 563250563 /nfs/dbraw/zinc/25/05/63/563250563.db2.gz BTISHSOIFDWYLH-UHFFFAOYSA-N 0 0 305.171 4.019 50 0 DIAARN Cc1nn(C)c2nc3ccccc3c(NCCc3ccccc3)c12 ZINC000000408126 563252115 /nfs/dbraw/zinc/25/21/15/563252115.db2.gz KDHSMNTUNBQIND-UHFFFAOYSA-N 0 0 316.408 4.085 50 0 DIAARN Nc1ccccc1SCC(=O)Nc1cccc2ccccc21 ZINC000000415366 563252734 /nfs/dbraw/zinc/25/27/34/563252734.db2.gz AXPAOGUFYLVVGV-UHFFFAOYSA-N 0 0 308.406 4.153 50 0 DIAARN Cc1cc(SCC(=O)NC2CCCCC2)nc2ccccc12 ZINC000000420867 563252740 /nfs/dbraw/zinc/25/27/40/563252740.db2.gz JKXXASUSOVFCMM-UHFFFAOYSA-N 0 0 314.454 4.084 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000434462 563253206 /nfs/dbraw/zinc/25/32/06/563253206.db2.gz MQZZHFJGRVNLHJ-ZDUSSCGKSA-N 0 0 310.397 4.411 50 0 DIAARN CCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000444354 563254998 /nfs/dbraw/zinc/25/49/98/563254998.db2.gz WMRHLZMBIXMRIM-UHFFFAOYSA-N 0 0 316.788 4.331 50 0 DIAARN O=C(CCSc1ccc(Cl)cc1)NCCc1ccccc1 ZINC000000444270 563255065 /nfs/dbraw/zinc/25/50/65/563255065.db2.gz HWZVGJWNIVXEGQ-UHFFFAOYSA-N 0 0 319.857 4.181 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000000447747 563255462 /nfs/dbraw/zinc/25/54/62/563255462.db2.gz WNCXTYDBVMWVSH-UHFFFAOYSA-N 0 0 319.408 4.333 50 0 DIAARN O=C(Nc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000000444850 563255484 /nfs/dbraw/zinc/25/54/84/563255484.db2.gz WPOQVHATZKQRIV-UHFFFAOYSA-N 0 0 314.238 4.368 50 0 DIAARN Fc1ccc(-c2cc(-c3ccccc3)nc(-n3cccn3)n2)cc1 ZINC000000448950 563255517 /nfs/dbraw/zinc/25/55/17/563255517.db2.gz ARERXBRGSMZRHG-UHFFFAOYSA-N 0 0 316.339 4.135 50 0 DIAARN Nc1ccc2oc(-c3cc(Cl)ccc3Br)nc2c1 ZINC000000451328 563256090 /nfs/dbraw/zinc/25/60/90/563256090.db2.gz LXTBEDHHPPUQPP-UHFFFAOYSA-N 0 0 323.577 4.493 50 0 DIAARN COC(=O)c1ccccc1NC(=O)c1oc2ccc(C)cc2c1C ZINC000000449321 563256114 /nfs/dbraw/zinc/25/61/14/563256114.db2.gz VHGVTFSWLBQZEA-UHFFFAOYSA-N 0 0 323.348 4.089 50 0 DIAARN COc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1Cl ZINC000000451122 563256140 /nfs/dbraw/zinc/25/61/40/563256140.db2.gz UFRBENOYGNELDK-UHFFFAOYSA-N 0 0 316.744 4.115 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000449815 563256155 /nfs/dbraw/zinc/25/61/55/563256155.db2.gz NTSZCBNHKYZDJK-LLVKDONJSA-N 0 0 309.287 4.111 50 0 DIAARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 ZINC000000453375 563256691 /nfs/dbraw/zinc/25/66/91/563256691.db2.gz PNPQDNACBKOYLZ-UHFFFAOYSA-N 0 0 320.392 4.387 50 0 DIAARN Cc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000000453396 563256778 /nfs/dbraw/zinc/25/67/78/563256778.db2.gz HRRVXHDUCMWQLA-UHFFFAOYSA-N 0 0 316.832 4.097 50 0 DIAARN COc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000000452780 563256838 /nfs/dbraw/zinc/25/68/38/563256838.db2.gz BQMSWLHBSHBVPE-XMHGGMMESA-N 0 0 319.360 4.468 50 0 DIAARN CCN(CC)C(=O)Oc1ccc(Br)c2ccccc12 ZINC000000454913 563257017 /nfs/dbraw/zinc/25/70/17/563257017.db2.gz GBZVAFHGNJOCMQ-UHFFFAOYSA-N 0 0 322.202 4.443 50 0 DIAARN Cc1ccccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000000453698 563257129 /nfs/dbraw/zinc/25/71/29/563257129.db2.gz JVRZBIVFCQABDG-UHFFFAOYSA-N 0 0 312.438 4.245 50 0 DIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1O)NC1CCCCC1 ZINC000000455146 563257371 /nfs/dbraw/zinc/25/73/71/563257371.db2.gz SAKZASKQHNPXLB-IBGZPJMESA-N 0 0 323.436 4.363 50 0 DIAARN Cc1ccccc1OCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000455273 563257480 /nfs/dbraw/zinc/25/74/80/563257480.db2.gz BJCFYCAQJFLJIB-UHFFFAOYSA-N 0 0 307.752 4.195 50 0 DIAARN CC(C)(C)c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000000456575 563257941 /nfs/dbraw/zinc/25/79/41/563257941.db2.gz JRZYPLWBBPUTRV-UHFFFAOYSA-N 0 0 323.392 4.430 50 0 DIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000000459026 563258349 /nfs/dbraw/zinc/25/83/49/563258349.db2.gz IQJIQNMQMSHISG-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN CC(C)c1ccc(OC[C@H](C)NC(=O)c2ccc(F)cc2)cc1 ZINC000000459189 563258449 /nfs/dbraw/zinc/25/84/49/563258449.db2.gz WTYJYQWQPBGRGN-AWEZNQCLSA-N 0 0 315.388 4.146 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CCCc1ccccc1 ZINC000000458407 563258533 /nfs/dbraw/zinc/25/85/33/563258533.db2.gz PBEDDKVBOZUVAL-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN O=C(COC(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000000461957 563259201 /nfs/dbraw/zinc/25/92/01/563259201.db2.gz QHQVVXJVQIJGAF-UHFFFAOYSA-N 0 0 308.308 4.019 50 0 DIAARN Cc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 ZINC000000465590 563259667 /nfs/dbraw/zinc/25/96/67/563259667.db2.gz WYTNJZWSMAUVDJ-FOWTUZBSSA-N 0 0 321.405 4.026 50 0 DIAARN COc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000000469886 563259925 /nfs/dbraw/zinc/25/99/25/563259925.db2.gz YOBKGXXALWFENT-ZDUSSCGKSA-N 0 0 301.411 4.123 50 0 DIAARN Cc1ccc(C(=O)OCc2ccc(Br)cc2)cc1 ZINC000000469592 563260161 /nfs/dbraw/zinc/26/01/61/563260161.db2.gz XKAKZPRAPAWFAF-UHFFFAOYSA-N 0 0 305.171 4.115 50 0 DIAARN Fc1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000000470665 563260704 /nfs/dbraw/zinc/26/07/04/563260704.db2.gz CVIRIDKWVMTSND-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN Cc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C ZINC000000475114 563261632 /nfs/dbraw/zinc/26/16/32/563261632.db2.gz KMRWBRKHMJWVEX-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC ZINC000000474813 563261654 /nfs/dbraw/zinc/26/16/54/563261654.db2.gz KDNARUDFRDIXLN-UHFFFAOYSA-N 0 0 323.801 4.204 50 0 DIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000000474594 563261676 /nfs/dbraw/zinc/26/16/76/563261676.db2.gz CSUBNIQOVPCWIG-SECBINFHSA-N 0 0 311.715 4.024 50 0 DIAARN O=C(/C=C/c1cccs1)Nc1ccc(Br)cc1 ZINC000000474915 563261678 /nfs/dbraw/zinc/26/16/78/563261678.db2.gz MKJMWWDGCHJWNV-BQYQJAHWSA-N 0 0 308.200 4.163 50 0 DIAARN Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)o1 ZINC000000483301 563262899 /nfs/dbraw/zinc/26/28/99/563262899.db2.gz ZUROJBOBKFUNDZ-UHFFFAOYSA-N 0 0 321.398 4.084 50 0 DIAARN Cc1sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)nc1-c1ccccc1 ZINC000000484149 563262901 /nfs/dbraw/zinc/26/29/01/563262901.db2.gz WMELCSMTMPPVOB-NWANDNLSSA-N 0 0 312.438 4.493 50 0 DIAARN COc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1Cl ZINC000000505723 563263680 /nfs/dbraw/zinc/26/36/80/563263680.db2.gz IEGOFWXGSLNJCU-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN Cc1ccc(C)c(C(=O)Nc2ccccc2Br)c1 ZINC000000514757 563264234 /nfs/dbraw/zinc/26/42/34/563264234.db2.gz IPHCYXMLFVCKFY-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCN(CC)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000000509893 563264278 /nfs/dbraw/zinc/26/42/78/563264278.db2.gz PSRITGVQRLPEFH-UHFFFAOYSA-N 0 0 315.800 4.053 50 0 DIAARN Clc1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000524763 563264821 /nfs/dbraw/zinc/26/48/21/563264821.db2.gz RXXBTCDCMJHCEP-UHFFFAOYSA-N 0 0 303.774 4.077 50 0 DIAARN Cc1ccc(-c2nn3c(nnc3-c3cccc(C)c3)s2)cc1 ZINC000000533151 563265304 /nfs/dbraw/zinc/26/53/04/563265304.db2.gz MDLTZPOLXVTNKS-UHFFFAOYSA-N 0 0 306.394 4.137 50 0 DIAARN COc1ccccc1CNC(=S)Nc1cccc(Cl)c1C ZINC000000542242 563265473 /nfs/dbraw/zinc/26/54/73/563265473.db2.gz DNEAZDFRYABKCW-UHFFFAOYSA-N 0 0 320.845 4.144 50 0 DIAARN CC(=O)c1cccc(NC(=O)CCSc2ccc(C)cc2)c1 ZINC000000555085 563265974 /nfs/dbraw/zinc/26/59/74/563265974.db2.gz CLFFEETYKYDNMV-UHFFFAOYSA-N 0 0 313.422 4.319 50 0 DIAARN CCCC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000578989 563267574 /nfs/dbraw/zinc/26/75/74/563267574.db2.gz GBKNUFRKLIRHPF-UHFFFAOYSA-N 0 0 310.397 4.294 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000000612102 563268904 /nfs/dbraw/zinc/26/89/04/563268904.db2.gz PXVJNCXHBTZXIQ-UHFFFAOYSA-N 0 0 320.314 4.296 50 0 DIAARN COc1cc(C=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000615698 563269872 /nfs/dbraw/zinc/26/98/72/563269872.db2.gz QMSZARZXACEGNM-UHFFFAOYSA-N 0 0 312.365 4.024 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C)ccc1F ZINC000000617145 563269936 /nfs/dbraw/zinc/26/99/36/563269936.db2.gz OKEPWJZMUDAYJU-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C ZINC000000615107 563270039 /nfs/dbraw/zinc/27/00/39/563270039.db2.gz ATQIAKYJFULMGR-UHFFFAOYSA-N 0 0 313.401 4.222 50 0 DIAARN CCC(CC)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000000614928 563270189 /nfs/dbraw/zinc/27/01/89/563270189.db2.gz YMZOOFSTPYQIEK-UHFFFAOYSA-N 0 0 316.445 4.124 50 0 DIAARN CCCC(=O)NCc1nc2ccccc2n1[C@H](C)c1ccccc1 ZINC000000617904 563270490 /nfs/dbraw/zinc/27/04/90/563270490.db2.gz NMHCJMMQWAYCSP-OAHLLOKOSA-N 0 0 321.424 4.062 50 0 DIAARN COc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C=O)cc1 ZINC000000732142 563271035 /nfs/dbraw/zinc/27/10/35/563271035.db2.gz IUJBSEZTTFSKNC-UHFFFAOYSA-N 0 0 312.756 4.014 50 0 DIAARN CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000000620463 563271083 /nfs/dbraw/zinc/27/10/83/563271083.db2.gz MFUVWXKOECUXRI-UHFFFAOYSA-N 0 0 322.408 4.018 50 0 DIAARN O=Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000000732151 563271160 /nfs/dbraw/zinc/27/11/60/563271160.db2.gz FPCHEMJUINRVQX-UHFFFAOYSA-N 0 0 300.720 4.144 50 0 DIAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN2c2ccccc2)c(C)c1 ZINC000000758157 563271725 /nfs/dbraw/zinc/27/17/25/563271725.db2.gz KXBTXCLMCWZGMC-SFHVURJKSA-N 0 0 308.425 4.219 50 0 DIAARN CCOc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1 ZINC000000804659 563271838 /nfs/dbraw/zinc/27/18/38/563271838.db2.gz JARLOPBTDQGLSB-UHFFFAOYSA-N 0 0 319.430 4.093 50 0 DIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815137 563272644 /nfs/dbraw/zinc/27/26/44/563272644.db2.gz DKDNZLYMQDZZMO-MRVPVSSYSA-N 0 0 313.184 4.177 50 0 DIAARN Cc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 ZINC000000860394 563273130 /nfs/dbraw/zinc/27/31/30/563273130.db2.gz OAGLESKYJOCFLZ-UHFFFAOYSA-N 0 0 314.435 4.336 50 0 DIAARN Cc1onc(-c2ccccc2)c1/C=C1\C(=O)Nc2ccccc21 ZINC000001034488 563275036 /nfs/dbraw/zinc/27/50/36/563275036.db2.gz SDKXUNMTVUXBRG-WJDWOHSUSA-N 0 0 302.333 4.143 50 0 DIAARN Cc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000001063524 563276510 /nfs/dbraw/zinc/27/65/10/563276510.db2.gz WPZMWDYJTNNXAU-UHFFFAOYSA-N 0 0 308.406 4.295 50 0 DIAARN O=c1c2cc(Cl)ccc2ncn1Cc1cccc2ccccc21 ZINC000001098877 563277171 /nfs/dbraw/zinc/27/71/71/563277171.db2.gz OCIKXNSVCOVPEL-UHFFFAOYSA-N 0 0 320.779 4.251 50 0 DIAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1c(F)cccc1Cl ZINC000001077284 563277247 /nfs/dbraw/zinc/27/72/47/563277247.db2.gz DNGMUGINNDZSDR-ZDUSSCGKSA-N 0 0 322.792 4.238 50 0 DIAARN O=C(NCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001137505 563277854 /nfs/dbraw/zinc/27/78/54/563277854.db2.gz GNNYUXKHXWWWKD-UHFFFAOYSA-N 0 0 301.389 4.135 50 0 DIAARN Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCCC1 ZINC000001125297 563277860 /nfs/dbraw/zinc/27/78/60/563277860.db2.gz CBBJVZMFRNHTPD-UHFFFAOYSA-N 0 0 300.229 4.498 50 0 DIAARN CC(C)=CCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1C ZINC000001165218 563278672 /nfs/dbraw/zinc/27/86/72/563278672.db2.gz CTPDWWLPPFLHCK-UHFFFAOYSA-N 0 0 312.287 4.465 50 0 biogenic DIAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000001188825 563279256 /nfs/dbraw/zinc/27/92/56/563279256.db2.gz DTFLPXXUBDQAKE-FQEVSTJZSA-N 0 0 301.389 4.400 50 0 DIAARN O=C(CCc1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC000001287627 563280848 /nfs/dbraw/zinc/28/08/48/563280848.db2.gz IELGETFUBXUCPQ-UHFFFAOYSA-N 0 0 315.442 4.157 50 0 DIAARN COc1ccc(-c2nc(N)sc2-c2ccc(OC)cc2)cc1 ZINC000001394896 563282042 /nfs/dbraw/zinc/28/20/42/563282042.db2.gz VUQJYRXMLSGBKQ-UHFFFAOYSA-N 0 0 312.394 4.077 50 0 DIAARN Cc1ccccc1C(=O)c1ccc(C(=O)NC2CCCCCC2)[nH]1 ZINC000001396112 563282242 /nfs/dbraw/zinc/28/22/42/563282242.db2.gz GKZIRWLHANWCKD-UHFFFAOYSA-N 0 0 324.424 4.007 50 0 DIAARN CCNc1nc(SCc2ccc(C)cc2)nc2c1CCCC2 ZINC000001393953 563282258 /nfs/dbraw/zinc/28/22/58/563282258.db2.gz MRLAWFLPYRIQIU-UHFFFAOYSA-N 0 0 313.470 4.388 50 0 DIAARN Cc1ccc(NC(=O)Nc2nccc(-c3cccs3)n2)cc1 ZINC000001404063 563282882 /nfs/dbraw/zinc/28/28/82/563282882.db2.gz QIGWFNNGTXCNMP-UHFFFAOYSA-N 0 0 310.382 4.158 50 0 DIAARN COC(=O)[C@H](CC(=O)c1cccc(C)c1)c1ccc(Cl)cc1 ZINC000001397636 563282893 /nfs/dbraw/zinc/28/28/93/563282893.db2.gz BXAROCWNZVLMQX-MRXNPFEDSA-N 0 0 316.784 4.178 50 0 DIAARN COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C ZINC000001426298 563283345 /nfs/dbraw/zinc/28/33/45/563283345.db2.gz CJGYLMYSERBMPX-UHFFFAOYSA-N 0 0 301.361 4.022 50 0 DIAARN O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccccc21 ZINC000001446465 563283396 /nfs/dbraw/zinc/28/33/96/563283396.db2.gz DOEGHCMTOPAIEV-UHFFFAOYSA-N 0 0 313.400 4.408 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1ccc2ncccc2c1 ZINC000001426045 563283477 /nfs/dbraw/zinc/28/34/77/563283477.db2.gz DYEOQRDTBKASKV-UHFFFAOYSA-N 0 0 324.405 4.218 50 0 DIAARN O[C@@H](Cc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000001494991 563284744 /nfs/dbraw/zinc/28/47/44/563284744.db2.gz NHOGTCDKLUELSC-ZDUSSCGKSA-N 0 0 307.271 4.123 50 0 DIAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2nccs2)cc1 ZINC000001773507 563295016 /nfs/dbraw/zinc/29/50/16/563295016.db2.gz YNBNTCXYCBNSBP-UHFFFAOYSA-N 0 0 318.442 4.238 50 0 DIAARN Cc1ccc(OCCCC(=O)Nc2ccccc2Cl)cc1 ZINC000001775868 563295707 /nfs/dbraw/zinc/29/57/07/563295707.db2.gz UUAKLFKYIUWTLI-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN CCCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000001777981 563295861 /nfs/dbraw/zinc/29/58/61/563295861.db2.gz CLHOLHMGLHWWSU-WSYSLRRZSA-N 0 0 309.409 4.366 50 0 DIAARN CCCCOc1ccccc1NC(=O)COc1cccc(C)c1 ZINC000001777458 563295978 /nfs/dbraw/zinc/29/59/78/563295978.db2.gz ACPSKHXWEMYTIZ-UHFFFAOYSA-N 0 0 313.397 4.191 50 0 DIAARN Cc1ccc(OCCCCn2c(CO)nc3ccccc32)c(C)c1 ZINC000001926884 563297119 /nfs/dbraw/zinc/29/71/19/563297119.db2.gz VPTHVLLNHLISOO-UHFFFAOYSA-N 0 0 324.424 4.005 50 0 DIAARN FC(F)(F)c1cc(Br)ccc1Br ZINC000002022401 563297377 /nfs/dbraw/zinc/29/73/77/563297377.db2.gz VWKFJAOCLPPQGR-UHFFFAOYSA-N 0 0 303.903 4.230 50 0 DIAARN CCCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000002186779 563301639 /nfs/dbraw/zinc/30/16/39/563301639.db2.gz KYAFOIFSMZOCEJ-VKAVYKQESA-N 0 0 321.376 4.210 50 0 DIAARN COc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000002296245 563302108 /nfs/dbraw/zinc/30/21/08/563302108.db2.gz LHYVAYLEGATWGU-UHFFFAOYSA-N 0 0 322.408 4.428 50 0 DIAARN O=c1[nH]c([C@@H](F)c2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000225748282 563302993 /nfs/dbraw/zinc/30/29/93/563302993.db2.gz URUSVHWRZCIMOR-ZDUSSCGKSA-N 0 0 322.261 4.001 50 0 DIAARN Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccccc1 ZINC000002450866 563303653 /nfs/dbraw/zinc/30/36/53/563303653.db2.gz ITRXXAIDRFOLAH-DHZHZOJOSA-N 0 0 307.422 4.288 50 0 DIAARN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)cc1 ZINC000002485000 563304419 /nfs/dbraw/zinc/30/44/19/563304419.db2.gz YEQIKRNFSPQAIC-CQSZACIVSA-N 0 0 317.458 4.084 50 0 DIAARN CCCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1C ZINC000002481817 563304427 /nfs/dbraw/zinc/30/44/27/563304427.db2.gz BOOFVMRELIKOTA-UHFFFAOYSA-N 0 0 300.276 4.299 50 0 DIAARN O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CC=CC1 ZINC000002515899 563305773 /nfs/dbraw/zinc/30/57/73/563305773.db2.gz LVJDHNVZGVJALW-UHFFFAOYSA-N 0 0 315.775 4.082 50 0 DIAARN O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)c(F)c1 ZINC000002515404 563305981 /nfs/dbraw/zinc/30/59/81/563305981.db2.gz MEIVCBHWXOSOSD-UHFFFAOYSA-N 0 0 315.775 4.082 50 0 DIAARN O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)cc1F ZINC000002515414 563306114 /nfs/dbraw/zinc/30/61/14/563306114.db2.gz UROTUMLSUQMDKW-UHFFFAOYSA-N 0 0 315.775 4.082 50 0 DIAARN CCOC(=O)c1cccc(C(=O)CCc2ccc(C)cc2C)c1 ZINC000002517482 563307269 /nfs/dbraw/zinc/30/72/69/563307269.db2.gz HSELHLWKYJJDER-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN CCOC(=O)c1ccc(C(=O)CCc2ccc(C)c(C)c2)cc1 ZINC000002517639 563307383 /nfs/dbraw/zinc/30/73/83/563307383.db2.gz CSQVBTMPNMQNLA-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN Cc1occc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1 ZINC000002532401 563307784 /nfs/dbraw/zinc/30/77/84/563307784.db2.gz AOZCGDKRKLQNPG-UHFFFAOYSA-N 0 0 316.426 4.012 50 0 DIAARN COC(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 ZINC000002536611 563308234 /nfs/dbraw/zinc/30/82/34/563308234.db2.gz QWTDJJZWIBJNQO-UHFFFAOYSA-N 0 0 322.360 4.236 50 0 DIAARN 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CSc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000008382861 563346755 /nfs/dbraw/zinc/34/67/55/563346755.db2.gz OBIPQUOPKDGYHX-LLVKDONJSA-N 0 0 321.829 4.468 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cccc3ccc(C)nc32)c(C)c1 ZINC000008590700 563347595 /nfs/dbraw/zinc/34/75/95/563347595.db2.gz METRXIUADWSRBJ-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN CCN(CC)c1ccc(NC(=O)Cc2cccc(C)c2)c(C)c1 ZINC000008723333 563349651 /nfs/dbraw/zinc/34/96/51/563349651.db2.gz ONVZWGGKHDEHBH-UHFFFAOYSA-N 0 0 310.441 4.331 50 0 DIAARN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000008723215 563350137 /nfs/dbraw/zinc/35/01/37/563350137.db2.gz WHSYUMBWKZAKKI-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN O=c1[nH]c(SCc2ccc(F)cc2Cl)nc2ccccc12 ZINC000008770882 563350170 /nfs/dbraw/zinc/35/01/70/563350170.db2.gz CZBLKRRMHQAHOR-UHFFFAOYSA-N 0 0 320.776 4.008 50 0 DIAARN Cc1ccc(NC(=S)NCc2ccccc2Cl)c(C)c1 ZINC000008830248 563350722 /nfs/dbraw/zinc/35/07/22/563350722.db2.gz IYDVUEXVHZVYCI-UHFFFAOYSA-N 0 0 304.846 4.443 50 0 DIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2cccc(F)c2)c1 ZINC000008837283 563350736 /nfs/dbraw/zinc/35/07/36/563350736.db2.gz LSLBMMPJDBOBPU-UHFFFAOYSA-N 0 0 319.343 4.007 50 0 DIAARN c1[nH]c2ccccc2c1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000008991259 563351191 /nfs/dbraw/zinc/35/11/91/563351191.db2.gz WYUCJPOOWKVZGG-UHFFFAOYSA-N 0 0 317.377 4.001 50 0 DIAARN O=C(Nc1nnc(-c2ccco2)s1)Nc1cccc(Cl)c1 ZINC000009137682 563352305 /nfs/dbraw/zinc/35/23/05/563352305.db2.gz MZPNCNITHMAIGD-UHFFFAOYSA-N 0 0 320.761 4.096 50 0 DIAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)cc1F ZINC000009224758 563353049 /nfs/dbraw/zinc/35/30/49/563353049.db2.gz OCQUEJXUOVBCJU-UHFFFAOYSA-N 0 0 323.367 4.066 50 0 DIAARN Cc1c2cc(Cl)ccc2n(C)c1C(=O)NC1CCCCC1 ZINC000009264121 563353078 /nfs/dbraw/zinc/35/30/78/563353078.db2.gz RXHDUUDIWQDZFX-UHFFFAOYSA-N 0 0 304.821 4.203 50 0 DIAARN CC(C)c1nc2ccccc2c(Nc2ccc3c[nH]nc3c2)n1 ZINC000032545360 563353620 /nfs/dbraw/zinc/35/36/20/563353620.db2.gz ZFCOVMREKFGQHW-UHFFFAOYSA-N 0 0 303.369 4.373 50 0 DIAARN CCC[C@@H](C)C(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000009355802 563353670 /nfs/dbraw/zinc/35/36/70/563353670.db2.gz QGIRYSJLNFJJBS-CYBMUJFWSA-N 0 0 317.458 4.088 50 0 DIAARN CN(C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2)c1ccccc1 ZINC000009597933 563354050 /nfs/dbraw/zinc/35/40/50/563354050.db2.gz YJSUHFPWIKGREK-CYBMUJFWSA-N 0 0 312.413 4.102 50 0 DIAARN Cc1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)[C@@H](C)O2 ZINC000010231665 563355174 /nfs/dbraw/zinc/35/51/74/563355174.db2.gz UINLGLZQNPOHPL-LLVKDONJSA-N 0 0 319.763 4.102 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)c1sc2ncccc2c1N ZINC000010010112 563355510 /nfs/dbraw/zinc/35/55/10/563355510.db2.gz JCMXLUVETNAFMF-UHFFFAOYSA-N 0 0 317.801 4.093 50 0 DIAARN COCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000010154982 563355523 /nfs/dbraw/zinc/35/55/23/563355523.db2.gz XHEMZAGAAIUKHY-UHFFFAOYSA-N 0 0 320.776 4.009 50 0 DIAARN COc1cccc2cc(C(=O)N3c4ccccc4C[C@H]3C)oc21 ZINC000010449946 563356928 /nfs/dbraw/zinc/35/69/28/563356928.db2.gz UGSRSYJDMDAICX-GFCCVEGCSA-N 0 0 307.349 4.033 50 0 DIAARN CCCOc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000046179559 563357012 /nfs/dbraw/zinc/35/70/12/563357012.db2.gz KMIVPBQDPSABGH-UHFFFAOYSA-N 0 0 303.789 4.059 50 0 DIAARN CC(C)Oc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000010683930 563357393 /nfs/dbraw/zinc/35/73/93/563357393.db2.gz AWRHRCVRGUZFCP-UHFFFAOYSA-N 0 0 324.174 4.082 50 0 DIAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 ZINC000011937829 563360690 /nfs/dbraw/zinc/36/06/90/563360690.db2.gz BERZSKNMVUINED-SFHVURJKSA-N 0 0 312.413 4.120 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274444 563365378 /nfs/dbraw/zinc/36/53/78/563365378.db2.gz LDWHWLCUAUSBSS-UHFFFAOYSA-N 0 0 309.390 4.131 50 0 DIAARN CSc1cccc(NC(=O)Nc2ccc3nsnc3c2)c1 ZINC000012340908 563366092 /nfs/dbraw/zinc/36/60/92/563366092.db2.gz FWGIBCSTYSGTOD-UHFFFAOYSA-N 0 0 316.411 4.057 50 0 DIAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1c(F)cccc1F ZINC000012380747 563367501 /nfs/dbraw/zinc/36/75/01/563367501.db2.gz KYUDXRUPZRFPRS-VIFPVBQESA-N 0 0 311.715 4.024 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000012379763 563367840 /nfs/dbraw/zinc/36/78/40/563367840.db2.gz BBNKYXXZOABFOV-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN CCCc1cc2c(cc1NC(=O)C[C@H]1C[C@H]3CC[C@@H]1C3)OCO2 ZINC000012411445 563369138 /nfs/dbraw/zinc/36/91/38/563369138.db2.gz WJRFPNFAKYJALO-GZBFAFLISA-N 0 0 315.413 4.133 50 0 DIAARN C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)cs2)C[C@H](C)O1 ZINC000012418088 563369251 /nfs/dbraw/zinc/36/92/51/563369251.db2.gz RRNYPFPSDCWQAX-PHIMTYICSA-N 0 0 308.834 4.077 50 0 DIAARN CCOC(=O)c1c(N)scc1-c1ccc2c(c1)CCCC2 ZINC000012404922 563369331 /nfs/dbraw/zinc/36/93/31/563369331.db2.gz WLNHCYRSDOGNRF-UHFFFAOYSA-N 0 0 301.411 4.053 50 0 DIAARN Cc1ncc(CNC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000032611482 563371367 /nfs/dbraw/zinc/37/13/67/563371367.db2.gz AMLBGSBQOFPKRY-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN Cc1cc(C(F)F)nc2sc(C(=O)c3ccccc3)c(N)c21 ZINC000012649633 563372332 /nfs/dbraw/zinc/37/23/32/563372332.db2.gz YBSXZJPFFLUEGY-UHFFFAOYSA-N 0 0 318.348 4.356 50 0 DIAARN Cc1ccc(-c2nn3c(nnc3-c3cccs3)s2)cc1C ZINC000012650549 563372547 /nfs/dbraw/zinc/37/25/47/563372547.db2.gz DXXNBTRDHVEVAU-UHFFFAOYSA-N 0 0 312.423 4.198 50 0 DIAARN COc1cccc(CC[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 ZINC000012752292 563372955 /nfs/dbraw/zinc/37/29/55/563372955.db2.gz NTIZNARCVAKIDT-KRWDZBQOSA-N 0 0 315.457 4.057 50 0 DIAARN Cc1nc(S[C@H](C)C(=O)NC(C)(C)C)n(C2CCCC2)c1C ZINC000012774455 563373086 /nfs/dbraw/zinc/37/30/86/563373086.db2.gz BVBBSIOHFPYDNK-CYBMUJFWSA-N 0 0 323.506 4.010 50 0 DIAARN CCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000032622129 563373246 /nfs/dbraw/zinc/37/32/46/563373246.db2.gz KIWLGYPEJULPIR-UHFFFAOYSA-N 0 0 307.353 4.142 50 0 DIAARN CCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032622538 563373356 /nfs/dbraw/zinc/37/33/56/563373356.db2.gz UFHKALHCKFPWFG-UHFFFAOYSA-N 0 0 307.353 4.061 50 0 DIAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)C(C)C)cc3)n2)cc1 ZINC000032623029 563373483 /nfs/dbraw/zinc/37/34/83/563373483.db2.gz IRZBPNWQKVPGFJ-UHFFFAOYSA-N 0 0 321.380 4.307 50 0 DIAARN C[C@@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012795823 563373844 /nfs/dbraw/zinc/37/38/44/563373844.db2.gz RFJFOKVWQLPMIX-AOOOYVTPSA-N 0 0 316.232 4.293 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 ZINC000012799735 563374219 /nfs/dbraw/zinc/37/42/19/563374219.db2.gz JCNLEXDSNWCONS-CYBMUJFWSA-N 0 0 315.800 4.087 50 0 DIAARN CC1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000012809336 563374884 /nfs/dbraw/zinc/37/48/84/563374884.db2.gz AGUZCMDCPANTOE-UHFFFAOYSA-N 0 0 309.837 4.192 50 0 DIAARN O=C(Nc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012918425 563375340 /nfs/dbraw/zinc/37/53/40/563375340.db2.gz FVLLTLDIPLVMPK-UHFFFAOYSA-N 0 0 303.365 4.002 50 0 DIAARN Cc1nn(C)c(C)c1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000032675837 563375363 /nfs/dbraw/zinc/37/53/63/563375363.db2.gz PVWXUECUMPKUGL-UHFFFAOYSA-N 0 0 317.458 4.010 50 0 DIAARN CC1CCC(NC(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000032671837 563375592 /nfs/dbraw/zinc/37/55/92/563375592.db2.gz RCOCTLLCTNXIAW-UHFFFAOYSA-N 0 0 314.454 4.042 50 0 DIAARN O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(F)cc1 ZINC000012976173 563375759 /nfs/dbraw/zinc/37/57/59/563375759.db2.gz QWSPSOXMNMTMBO-UHFFFAOYSA-N 0 0 323.367 4.335 50 0 DIAARN CCOc1ccccc1NC(=O)CNc1ccc(C)c(Cl)c1 ZINC000032679597 563375835 /nfs/dbraw/zinc/37/58/35/563375835.db2.gz YVHGODKNFBWMRP-UHFFFAOYSA-N 0 0 318.804 4.098 50 0 DIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C)cc(C)c1 ZINC000012994684 563376849 /nfs/dbraw/zinc/37/68/49/563376849.db2.gz GPTVHMCWZDOEBS-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN Oc1ccc(Br)cc1-c1ccnn1-c1ccccc1 ZINC000013126472 563378284 /nfs/dbraw/zinc/37/82/84/563378284.db2.gz HCGKUKCQPZDMJD-UHFFFAOYSA-N 0 0 315.170 4.007 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 ZINC000013131638 563378875 /nfs/dbraw/zinc/37/88/75/563378875.db2.gz QGEWRBICYGEBOT-MSOLQXFVSA-N 0 0 304.397 4.041 50 0 DIAARN Cc1cc2n(n1)[C@H](c1c[nH]c3ccccc31)Nc1ccccc1-2 ZINC000013132431 563378913 /nfs/dbraw/zinc/37/89/13/563378913.db2.gz ASBMTIXDUWPLHG-LJQANCHMSA-N 0 0 300.365 4.312 50 0 DIAARN Clc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 ZINC000013132079 563379001 /nfs/dbraw/zinc/37/90/01/563379001.db2.gz MEYFTBIXXHZJJB-HZPDHXFCSA-N 0 0 310.788 4.078 50 0 DIAARN Cc1c(Cl)cccc1NC(=S)N1CCc2ccccc2C1 ZINC000013497428 563382880 /nfs/dbraw/zinc/38/28/80/563382880.db2.gz GWWZHPOUDHVWPE-UHFFFAOYSA-N 0 0 316.857 4.404 50 0 DIAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000013549530 563383223 /nfs/dbraw/zinc/38/32/23/563383223.db2.gz WSRIJVXZCZARLU-UHFFFAOYSA-N 0 0 310.382 4.158 50 0 DIAARN CC(C)c1ccc(-c2c3c(nnc2N)c2ccccc2n3C)cc1 ZINC000013580554 563383509 /nfs/dbraw/zinc/38/35/09/563383509.db2.gz QESKTGPWJKWNMI-UHFFFAOYSA-N 0 0 316.408 4.494 50 0 DIAARN Cc1[nH]c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2c1C ZINC000032722174 563385085 /nfs/dbraw/zinc/38/50/85/563385085.db2.gz UJDNAKHIYBIYJQ-SFHVURJKSA-N 0 0 320.392 4.038 50 0 DIAARN COc1ccccc1[C@@H](CC(=O)Nc1cccc(C)n1)C(C)C ZINC000013691679 563386059 /nfs/dbraw/zinc/38/60/59/563386059.db2.gz LLKVXQBESYPGGO-INIZCTEOSA-N 0 0 312.413 4.167 50 0 DIAARN Cc1cnc(NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)s1 ZINC000013744764 563388062 /nfs/dbraw/zinc/38/80/62/563388062.db2.gz WUCJKTPDJKKLNM-UHFFFAOYSA-N 0 0 324.833 4.209 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1 ZINC000032739217 563388959 /nfs/dbraw/zinc/38/89/59/563388959.db2.gz ZSTMLWRAODEUBL-UHFFFAOYSA-N 0 0 317.410 4.184 50 0 DIAARN CCOc1ccc/c(=N\Cc2ccccc2)c2c(C)n(C)c(C)c21 ZINC000013810115 563389403 /nfs/dbraw/zinc/38/94/03/563389403.db2.gz NONGKPXSLOTOFV-RELWKKBWSA-N 0 0 320.436 4.295 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032760325 563390677 /nfs/dbraw/zinc/39/06/77/563390677.db2.gz ZNOVCPKHWZDESG-LLVKDONJSA-N 0 0 310.784 4.413 50 0 DIAARN Cc1cccnc1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000032759627 563390684 /nfs/dbraw/zinc/39/06/84/563390684.db2.gz VLMVTOCZOHHHKM-UHFFFAOYSA-N 0 0 301.349 4.277 50 0 DIAARN Cc1cc(NC(=O)c2cc(C)cc(C)c2)n(Cc2ccccc2)n1 ZINC000032754170 563390981 /nfs/dbraw/zinc/39/09/81/563390981.db2.gz CGWPNEOSEIGFNJ-UHFFFAOYSA-N 0 0 319.408 4.109 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)CCc3cccs3)cc2)co1 ZINC000032776584 563391726 /nfs/dbraw/zinc/39/17/26/563391726.db2.gz IILFYZYJARDUPZ-UHFFFAOYSA-N 0 0 312.394 4.283 50 0 DIAARN COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000013931186 563392150 /nfs/dbraw/zinc/39/21/50/563392150.db2.gz KZGLKAVNNDXRJL-AWEZNQCLSA-N 0 0 314.454 4.360 50 0 DIAARN Cc1csc(C(=O)N2CCS[C@@H](c3cccs3)CC2)c1 ZINC000219504065 563392619 /nfs/dbraw/zinc/39/26/19/563392619.db2.gz FLZAWLHSDGSQQA-CYBMUJFWSA-N 0 0 323.508 4.438 50 0 DIAARN CCC(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000013955132 563393403 /nfs/dbraw/zinc/39/34/03/563393403.db2.gz URGLUWMUGXIVMS-UHFFFAOYSA-N 0 0 307.353 4.061 50 0 DIAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1F ZINC000032795236 563394603 /nfs/dbraw/zinc/39/46/03/563394603.db2.gz FPCRRPDOHUKJHQ-VXGBXAGGSA-N 0 0 321.779 4.124 50 0 DIAARN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1F ZINC000032795237 563394663 /nfs/dbraw/zinc/39/46/63/563394663.db2.gz FPCRRPDOHUKJHQ-NEPJUHHUSA-N 0 0 321.779 4.124 50 0 DIAARN Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014052579 563394863 /nfs/dbraw/zinc/39/48/63/563394863.db2.gz RSNCKSHNJNDOSS-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN CCc1nc2ccccc2c(C(=O)Oc2ccccc2OC)c1C ZINC000014084878 563395463 /nfs/dbraw/zinc/39/54/63/563395463.db2.gz SWSRPFDYLHZXLW-UHFFFAOYSA-N 0 0 321.376 4.333 50 0 DIAARN CCOc1ccc([C@H]2Nc3ccccc3C(C)(C)O2)cc1OC ZINC000000098201 563396032 /nfs/dbraw/zinc/39/60/32/563396032.db2.gz JXDGMHOBNZPQMU-SFHVURJKSA-N 0 0 313.397 4.470 50 0 DIAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1O ZINC000014164401 563396963 /nfs/dbraw/zinc/39/69/63/563396963.db2.gz DSDLWQZXDIESLB-UHFFFAOYSA-N 0 0 316.407 4.138 50 0 DIAARN CC(C)c1nnc(SCc2csc(-c3ccccc3)n2)[nH]1 ZINC000014162229 563397133 /nfs/dbraw/zinc/39/71/33/563397133.db2.gz AGUAOEODINRNJB-UHFFFAOYSA-N 0 0 316.455 4.344 50 0 DIAARN COc1ccc(CCC(=O)Nc2ccc(O)c3ccccc23)cc1 ZINC000014182690 563397504 /nfs/dbraw/zinc/39/75/04/563397504.db2.gz 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319.404 4.426 50 0 DIAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@@H]2C[C@H]2C)n1 ZINC000032986016 563458473 /nfs/dbraw/zinc/45/84/73/563458473.db2.gz OUMKWRGWMLDUEX-BXKDBHETSA-N 0 0 311.410 4.194 50 0 DIAARN CCc1cccc(NC(=O)Nc2cccc(-c3noc(C)n3)c2)c1 ZINC000032996516 563459547 /nfs/dbraw/zinc/45/95/47/563459547.db2.gz IWSMUQCUNNPCNG-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 ZINC000042116029 563461467 /nfs/dbraw/zinc/46/14/67/563461467.db2.gz WWJIOBXTZDJLLC-CYBMUJFWSA-N 0 0 305.765 4.005 50 0 DIAARN CC(=O)N(C)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000044821955 563462207 /nfs/dbraw/zinc/46/22/07/563462207.db2.gz MRFOJOILNXNTKY-UHFFFAOYSA-N 0 0 310.397 4.045 50 0 DIAARN Cc1ccc([C@H]2CCN(C(=S)Nc3cccc(C)c3)C2)cc1 ZINC000013523915 563463831 /nfs/dbraw/zinc/46/38/31/563463831.db2.gz UHCFNYOWAPDOSN-KRWDZBQOSA-N 0 0 310.466 4.490 50 0 DIAARN CCc1ccc(C2=NNC(=Nc3ccccc3)SC2)s1 ZINC000011116930 563464874 /nfs/dbraw/zinc/46/48/74/563464874.db2.gz VTHSLVCIQMCVHB-UHFFFAOYSA-N 0 0 301.440 4.230 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 ZINC000047323030 563466151 /nfs/dbraw/zinc/46/61/51/563466151.db2.gz PQSRBADXWVCRQF-ZDUSSCGKSA-N 0 0 305.765 4.005 50 0 DIAARN Fc1ccccc1NC(=S)N1CC[C@@H](c2ccccc2)C1 ZINC000013543300 563466265 /nfs/dbraw/zinc/46/62/65/563466265.db2.gz IFHCAFSBXYYRKF-CQSZACIVSA-N 0 0 300.402 4.012 50 0 DIAARN CC(C)(C)OC(=O)N1CCC2(CCCc3ccccc32)CC1 ZINC000051951724 563468798 /nfs/dbraw/zinc/46/87/98/563468798.db2.gz UZSGMKMMJKAOHM-UHFFFAOYSA-N 0 0 301.430 4.292 50 0 DIAARN C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1cccnc1 ZINC000013744311 563469724 /nfs/dbraw/zinc/46/97/24/563469724.db2.gz YSTNUDBESOXSGV-SECBINFHSA-N 0 0 310.184 4.271 50 0 DIAARN CC(=O)Nc1ccc(Nc2ccnc3c(F)cc(F)cc23)cc1 ZINC000054202476 563470331 /nfs/dbraw/zinc/47/03/31/563470331.db2.gz NRQMAARJRPMXIJ-UHFFFAOYSA-N 0 0 313.307 4.215 50 0 DIAARN Cc1cc(C)c(-c2nc3cc(Cl)ccc3[nH]2)c(C)c1CO ZINC000055154575 563471869 /nfs/dbraw/zinc/47/18/69/563471869.db2.gz RHGBREDZNIPOMN-UHFFFAOYSA-N 0 0 300.789 4.301 50 0 DIAARN CCCC[C@@H]1C=CCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000055227756 563472730 /nfs/dbraw/zinc/47/27/30/563472730.db2.gz JUFBDGJSLKNJJH-QGZVFWFLSA-N 0 0 308.425 4.422 50 0 DIAARN COc1ccc(Oc2ccc(C(=O)NCc3ccoc3)cc2)cc1 ZINC000055271645 563473402 /nfs/dbraw/zinc/47/34/02/563473402.db2.gz DOHTVAXSAPUZRH-UHFFFAOYSA-N 0 0 323.348 4.011 50 0 DIAARN CCCCN(Cc1ccc(F)cc1)C(=O)C1CCC(OC)CC1 ZINC000055309164 563473507 /nfs/dbraw/zinc/47/35/07/563473507.db2.gz IUNWACOKGSJJRY-UHFFFAOYSA-N 0 0 321.436 4.160 50 0 DIAARN CCN(C/C=C/c1ccccc1)C(=O)c1cccc2cnccc21 ZINC000055344669 563474335 /nfs/dbraw/zinc/47/43/35/563474335.db2.gz OVEVCHIURRYNMG-JXMROGBWSA-N 0 0 316.404 4.410 50 0 DIAARN CCCCn1ncc(C)c1NC(=O)c1ccc(F)cc1Cl ZINC000055357690 563474505 /nfs/dbraw/zinc/47/45/05/563474505.db2.gz PZBCVLNAVROBMU-UHFFFAOYSA-N 0 0 309.772 4.036 50 0 DIAARN CSc1cccc(NC(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000056520732 563477013 /nfs/dbraw/zinc/47/70/13/563477013.db2.gz WSRMGIICOBJABU-INIZCTEOSA-N 0 0 313.426 4.173 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000033049055 563477269 /nfs/dbraw/zinc/47/72/69/563477269.db2.gz JVIMICNKMUQXIR-UHFFFAOYSA-N 0 0 316.744 4.457 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)cc2F)s1 ZINC000033049096 563477881 /nfs/dbraw/zinc/47/78/81/563477881.db2.gz FUBYDCZXXYCHDD-UHFFFAOYSA-N 0 0 320.320 4.242 50 0 DIAARN CC(C)[C@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000058157602 563478593 /nfs/dbraw/zinc/47/85/93/563478593.db2.gz NSZJELLPEGWZIX-OXQOHEQNSA-N 0 0 324.468 4.137 50 0 DIAARN CCCN(C)c1ccc(C(=O)N[C@H](C)c2cccc(F)c2)cc1 ZINC000058305529 563478788 /nfs/dbraw/zinc/47/87/88/563478788.db2.gz ASDDBDLWFLLCMV-CQSZACIVSA-N 0 0 314.404 4.163 50 0 DIAARN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000058157601 563478799 /nfs/dbraw/zinc/47/87/99/563478799.db2.gz NSZJELLPEGWZIX-UZLBHIALSA-N 0 0 324.468 4.137 50 0 DIAARN O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(OC(F)F)c1 ZINC000011203381 563480248 /nfs/dbraw/zinc/48/02/48/563480248.db2.gz SLYWLVCAHNGZIK-MRXNPFEDSA-N 0 0 317.335 4.169 50 0 DIAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc2ccccc2n1 ZINC000011201808 563480330 /nfs/dbraw/zinc/48/03/30/563480330.db2.gz MYGZFIMOMZBMLT-IBGZPJMESA-N 0 0 302.377 4.116 50 0 DIAARN C[C@@H](SCC(=O)Nc1ccsc1)c1nc2ccccc2[nH]1 ZINC000096425201 563481543 /nfs/dbraw/zinc/48/15/43/563481543.db2.gz ORIKXKDXHBVVLW-SNVBAGLBSA-N 0 0 317.439 4.057 50 0 DIAARN Cc1nnc(CS[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000096467834 563483928 /nfs/dbraw/zinc/48/39/28/563483928.db2.gz IRPDLAXJUSAFTJ-QMMMGPOBSA-N 0 0 302.321 4.391 50 0 DIAARN CCC[C@H](N[C@@H](C)c1ccc(CC)o1)c1nnc2ccccn21 ZINC000096477170 563484583 /nfs/dbraw/zinc/48/45/83/563484583.db2.gz VPMCJLLFMSMYMH-ZFWWWQNUSA-N 0 0 312.417 4.077 50 0 DIAARN C[C@H](CCn1cccn1)n1ccnc1-c1cc2ccccc2o1 ZINC000067643607 563488567 /nfs/dbraw/zinc/48/85/67/563488567.db2.gz WAHJBMUPJJLSGX-CQSZACIVSA-N 0 0 306.369 4.144 50 0 DIAARN COc1ccc(-c2n[nH]cc2-c2[nH]cnc2-c2ccccc2)cc1 ZINC000067689332 563488838 /nfs/dbraw/zinc/48/88/38/563488838.db2.gz WBAAVZFMTNXVLH-UHFFFAOYSA-N 0 0 316.364 4.142 50 0 DIAARN COc1ccc(-c2nc(Cn3cccn3)c(C)o2)c2ccccc12 ZINC000067688921 563488860 /nfs/dbraw/zinc/48/88/60/563488860.db2.gz WAHRZLUSDBQVHH-UHFFFAOYSA-N 0 0 319.364 4.057 50 0 DIAARN CCCN1C(=O)/C(=C\c2ccncc2)SC1=Nc1ccccc1 ZINC000004661047 563496452 /nfs/dbraw/zinc/49/64/52/563496452.db2.gz XIPLLUYGFSZHEW-OJDGJHKISA-N 0 0 323.421 4.096 50 0 DIAARN O=c1oc(-c2ccco2)nc2scc(-c3cccs3)c21 ZINC000000025835 563497964 /nfs/dbraw/zinc/49/79/64/563497964.db2.gz NXXDUZCCSJNONN-UHFFFAOYSA-N 0 0 301.348 4.238 50 0 DIAARN COc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2c1 ZINC000000028442 563498581 /nfs/dbraw/zinc/49/85/81/563498581.db2.gz PNGQTNOFXWGWDD-ZIAGYGMSSA-N 0 0 324.405 4.047 50 0 DIAARN O=C(c1ccc(OC2CCCC2)cc1)N1CCOc2ccccc21 ZINC000033168148 563498900 /nfs/dbraw/zinc/49/89/00/563498900.db2.gz HVMVQQSBRPKWDA-UHFFFAOYSA-N 0 0 323.392 4.047 50 0 DIAARN Cc1nn2c(nccc2-c2ccncc2)c1-c1cccc(Cl)c1 ZINC000071385354 563499060 /nfs/dbraw/zinc/49/90/60/563499060.db2.gz SMTHTKPOPDBHET-UHFFFAOYSA-N 0 0 320.783 4.420 50 0 DIAARN CCc1nn2c(nccc2-c2ccccn2)c1-c1ccc(F)cc1 ZINC000071376496 563499106 /nfs/dbraw/zinc/49/91/06/563499106.db2.gz NBGCDTTVUSTFEL-UHFFFAOYSA-N 0 0 318.355 4.160 50 0 DIAARN Cc1ccc(-c2nccn2-c2cccc(-c3nnc(C)s3)c2)o1 ZINC000071440377 563499845 /nfs/dbraw/zinc/49/98/45/563499845.db2.gz NHXNREJEWNWSQM-UHFFFAOYSA-N 0 0 322.393 4.268 50 0 DIAARN C[C@@H](CCn1cccn1)n1ccnc1-c1ccc2occc2c1 ZINC000071422331 563499978 /nfs/dbraw/zinc/49/99/78/563499978.db2.gz CDMLSCWOFNZLEQ-AWEZNQCLSA-N 0 0 306.369 4.144 50 0 DIAARN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)s1 ZINC000033192634 563500448 /nfs/dbraw/zinc/50/04/48/563500448.db2.gz LBXJZCDICMFHOD-ZETCQYMHSA-N 0 0 313.831 4.157 50 0 DIAARN COc1ccccc1[C@@H]1CCCN1Cc1ccncc1Cl ZINC000075712270 563505308 /nfs/dbraw/zinc/50/53/08/563505308.db2.gz RXVZBFXEIIKQSY-INIZCTEOSA-N 0 0 302.805 4.081 50 0 DIAARN NC(=O)[C@H](Cc1ccccc1)Sc1ccc2ccccc2c1 ZINC000097114175 563505921 /nfs/dbraw/zinc/50/59/21/563505921.db2.gz GWMMKHSRWRYCQT-SFHVURJKSA-N 0 0 307.418 4.029 50 0 DIAARN Clc1ccccc1CSc1nncn1-c1ccccc1 ZINC000000034366 563506181 /nfs/dbraw/zinc/50/61/81/563506181.db2.gz PNYQMFOCAQMDLF-UHFFFAOYSA-N 0 0 301.802 4.213 50 0 DIAARN Oc1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000000033596 563506228 /nfs/dbraw/zinc/50/62/28/563506228.db2.gz MRKQQOBCZIBUNK-UHFFFAOYSA-N 0 0 307.136 4.416 50 0 DIAARN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)o1 ZINC000097147908 563506646 /nfs/dbraw/zinc/50/66/46/563506646.db2.gz BQOYGBSKNFVJQO-HNNXBMFYSA-N 0 0 319.788 4.057 50 0 DIAARN C[C@@H](NCc1nc2ccccc2o1)c1ncc(-c2ccccc2)o1 ZINC000097112335 563506719 /nfs/dbraw/zinc/50/67/19/563506719.db2.gz YTRYNVMCWASWLY-CYBMUJFWSA-N 0 0 319.364 4.334 50 0 DIAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NC1CCCCCC1 ZINC000000036351 563507284 /nfs/dbraw/zinc/50/72/84/563507284.db2.gz JHEXNANCEAYZDG-AAEUAGOBSA-N 0 0 304.261 4.417 50 0 DIAARN CC(C)CCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000000038011 563507832 /nfs/dbraw/zinc/50/78/32/563507832.db2.gz WMMABWLYWYLZCM-UHFFFAOYSA-N 0 0 317.429 4.408 50 0 DIAARN O=C(c1ncoc1C1CC1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077375791 563508933 /nfs/dbraw/zinc/50/89/33/563508933.db2.gz IUHFJKSNGAAFJM-HNNXBMFYSA-N 0 0 314.360 4.059 50 0 DIAARN CN1CCC(=C2c3sccc3C(=O)Cc3ccccc32)CC1 ZINC000077312119 563509419 /nfs/dbraw/zinc/50/94/19/563509419.db2.gz UCYPVYBPZVSJME-UHFFFAOYSA-N 0 0 309.434 4.014 50 0 in-vitro DIAARN Cc1c(O)cccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077408356 563510191 /nfs/dbraw/zinc/51/01/91/563510191.db2.gz CWVVWBLJVNKKLV-QGZVFWFLSA-N 0 0 313.372 4.207 50 0 DIAARN Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000000043133 563511232 /nfs/dbraw/zinc/51/12/32/563511232.db2.gz OZKQNYGJCSBIFD-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 ZINC000000031414 563512721 /nfs/dbraw/zinc/51/27/21/563512721.db2.gz KHBMBTFVUHNFTA-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN O=C(C[C@H]1CCCN1Cc1ccc(Cl)o1)c1ccc(F)cc1 ZINC000097230577 563514135 /nfs/dbraw/zinc/51/41/35/563514135.db2.gz DKMJEPDVHDWHSH-CQSZACIVSA-N 0 0 321.779 4.310 50 0 DIAARN Cc1cc(F)cc(NC(=O)c2ccc(Br)cc2)c1 ZINC000080053755 563515242 /nfs/dbraw/zinc/51/52/42/563515242.db2.gz QGXCVIGFLXLRFR-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000000061476 563516186 /nfs/dbraw/zinc/51/61/86/563516186.db2.gz ZGCAGXCKBMZGKQ-LBPRGKRZSA-N 0 0 324.449 4.189 50 0 DIAARN Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000000061477 563516524 /nfs/dbraw/zinc/51/65/24/563516524.db2.gz ZGCAGXCKBMZGKQ-GFCCVEGCSA-N 0 0 324.449 4.189 50 0 DIAARN CCOC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000000062237 563516906 /nfs/dbraw/zinc/51/69/06/563516906.db2.gz MOBBXZWGNYONPU-UHFFFAOYSA-N 0 0 322.389 4.393 50 0 DIAARN CCn1c(=S)n(CNc2ccccc2)nc1-c1ccccc1 ZINC000000068068 563518506 /nfs/dbraw/zinc/51/85/06/563518506.db2.gz PUTKZEUQMUHPQL-UHFFFAOYSA-N 0 0 310.426 4.171 50 0 DIAARN CCOC(=O)c1cccnc1/C=C\c1cccc(C(F)(F)F)c1 ZINC000097296578 563519285 /nfs/dbraw/zinc/51/92/85/563519285.db2.gz SNKFDMZTQPOKQU-HJWRWDBZSA-N 0 0 321.298 4.448 50 0 DIAARN CCOc1ccc(NC(=S)Nc2ccc(OCC)cc2)cc1 ZINC000085205440 563520501 /nfs/dbraw/zinc/52/05/01/563520501.db2.gz PRXHANOJNVGVGC-UHFFFAOYSA-N 0 0 316.426 4.293 50 0 in-man DIAARN O=C(/C=C/c1ccccc1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146788 563521103 /nfs/dbraw/zinc/52/11/03/563521103.db2.gz PWBLCQGRHJEDLP-OFAQMXQXSA-N 0 0 323.417 4.303 50 0 DIAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2C1 ZINC000085584336 563521481 /nfs/dbraw/zinc/52/14/81/563521481.db2.gz MVJCOBAKVGPFHX-ROUUACIJSA-N 0 0 305.377 4.076 50 0 DIAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1Cl ZINC000000070735 563521852 /nfs/dbraw/zinc/52/18/52/563521852.db2.gz RVCUFEXNUUADQA-ZROIWOOFSA-N 0 0 318.159 4.338 50 0 DIAARN Cc1cc2cc(C(=O)N3CCC[C@H]3c3cccnc3)ccc2o1 ZINC000091270439 563525649 /nfs/dbraw/zinc/52/56/49/563525649.db2.gz QISSDKGMQUWQQT-KRWDZBQOSA-N 0 0 306.365 4.114 50 0 DIAARN Cc1[nH]c2c(c1CCNC(=O)c1ccccc1C)c(F)ccc2C ZINC000000091890 563528350 /nfs/dbraw/zinc/52/83/50/563528350.db2.gz KLKVIRYNRVVEGB-UHFFFAOYSA-N 0 0 324.399 4.205 50 0 biogenic,in-vitro DIAARN Cc1cc(Br)ccc1N[C@H]1OC(=O)c2ccccc21 ZINC000000091760 563528392 /nfs/dbraw/zinc/52/83/92/563528392.db2.gz OUUWUFVTWRUAMK-AWEZNQCLSA-N 0 0 318.170 4.039 50 0 DIAARN CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000096150962 563534149 /nfs/dbraw/zinc/53/41/49/563534149.db2.gz NTICYWPSTBYFFE-CQSZACIVSA-N 0 0 310.825 4.151 50 0 DIAARN CCSCCN(C(=O)Nc1ccc(C)nc1)C1CCCCC1 ZINC000096150290 563534266 /nfs/dbraw/zinc/53/42/66/563534266.db2.gz RDRGBRHBTYYLHS-UHFFFAOYSA-N 0 0 321.490 4.310 50 0 DIAARN COc1cccc(NC(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000011555819 563535854 /nfs/dbraw/zinc/53/58/54/563535854.db2.gz XCCNUVWJXIWFTE-UHFFFAOYSA-N 0 0 313.382 4.257 50 0 DIAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(NCC(C)C)n1 ZINC000096210131 563535856 /nfs/dbraw/zinc/53/58/56/563535856.db2.gz RSRBMBBHFFPLHT-UHFFFAOYSA-N 0 0 323.444 4.063 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)cc1 ZINC000011595052 563537836 /nfs/dbraw/zinc/53/78/36/563537836.db2.gz JHRYQTMVMJYRDP-UHFFFAOYSA-N 0 0 306.340 4.448 50 0 DIAARN O=C(c1ccc2ncsc2c1)N1CCCC[C@@H]1c1cccnc1 ZINC000097570746 563540633 /nfs/dbraw/zinc/54/06/33/563540633.db2.gz YXISONAJVNXZJN-MRXNPFEDSA-N 0 0 323.421 4.059 50 0 DIAARN COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1 ZINC000097757319 563541706 /nfs/dbraw/zinc/54/17/06/563541706.db2.gz ZMNFKKXHCGTFGK-UHFFFAOYSA-N 0 0 319.360 4.114 50 0 DIAARN CCOc1ccc2ccccc2c1-c1ncccc1C(=O)N(C)C ZINC000097823468 563543480 /nfs/dbraw/zinc/54/34/80/563543480.db2.gz ACMKREBVTBJNJA-UHFFFAOYSA-N 0 0 320.392 4.002 50 0 DIAARN C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1=CCCCO1)C1CC1 ZINC000072997106 563544016 /nfs/dbraw/zinc/54/40/16/563544016.db2.gz ILDBEKHHHSZISD-LBPRGKRZSA-N 0 0 305.805 4.086 50 0 DIAARN COc1cccc(C2=NC(=S)C(c3ccc(F)cc3)N2)c1 ZINC000100020921 563544969 /nfs/dbraw/zinc/54/49/69/563544969.db2.gz SWTTYFRYINLNSO-UHFFFAOYSA-N 0 0 300.358 4.180 50 0 DIAARN O=C(c1cc(Br)cc(C(F)(F)F)c1)C(F)(F)F ZINC000100487981 563550926 /nfs/dbraw/zinc/55/09/26/563550926.db2.gz QRJHPNQWXZHJLT-UHFFFAOYSA-N 0 0 321.014 4.213 50 0 DIAARN Clc1ccc([C@@H]2CC(c3cccs3)=Nc3ncnn32)cc1 ZINC000100716823 563553280 /nfs/dbraw/zinc/55/32/80/563553280.db2.gz HMJBJENBLPCCGC-ZDUSSCGKSA-N 0 0 314.801 4.049 50 0 DIAARN O=C1CCCC(=O)C1[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100816110 563553902 /nfs/dbraw/zinc/55/39/02/563553902.db2.gz VONJHGSHHLLWKN-SFHVURJKSA-N 0 0 310.324 4.002 50 0 DIAARN Cc1c2cc(C)ccc2oc1C[C@H]1c2ccccc2N(C)C1=O ZINC000101015995 563555600 /nfs/dbraw/zinc/55/56/00/563555600.db2.gz HURRJQGBJLRTJF-INIZCTEOSA-N 0 0 305.377 4.352 50 0 DIAARN CC1=C(C)C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 ZINC000101725389 563558142 /nfs/dbraw/zinc/55/81/42/563558142.db2.gz LMVSIZHBCAPPIQ-ZIAGYGMSSA-N 0 0 324.207 4.229 50 0 DIAARN Cc1nnc([C@H]2CCCN2Cc2ccc(-c3ccccc3)s2)[nH]1 ZINC000102540441 563559560 /nfs/dbraw/zinc/55/95/60/563559560.db2.gz GQDONDDIXDNOPQ-MRXNPFEDSA-N 0 0 324.453 4.179 50 0 DIAARN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CC2CCCC2)c(C)c1 ZINC000014228774 563564442 /nfs/dbraw/zinc/56/44/42/563564442.db2.gz GIIKNWLAGGUYAC-OAHLLOKOSA-N 0 0 317.429 4.062 50 0 DIAARN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCC[C@@H](C)C1 ZINC000257173633 563567682 /nfs/dbraw/zinc/56/76/82/563567682.db2.gz SZMWUQCQNGCRLX-CYBMUJFWSA-N 0 0 312.388 4.068 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2oc1=O ZINC000000105725 563570261 /nfs/dbraw/zinc/57/02/61/563570261.db2.gz ZHDAGCAEHGIUOI-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN CCc1ccc(NC(=O)CSC(=O)c2ccccc2C)cc1 ZINC000000112098 563570840 /nfs/dbraw/zinc/57/08/40/563570840.db2.gz FDOUNLFHOAAYBR-UHFFFAOYSA-N 0 0 313.422 4.070 50 0 DIAARN Cc1sc2ncnc(Oc3ccc4ccc(=O)oc4c3)c2c1C ZINC000000114403 563570917 /nfs/dbraw/zinc/57/09/17/563570917.db2.gz VVAJKZGLRIETIQ-UHFFFAOYSA-N 0 0 324.361 4.207 50 0 DIAARN Cc1ccc(-c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1 ZINC000000121332 563571305 /nfs/dbraw/zinc/57/13/05/563571305.db2.gz WGOJRZNHAVMKTD-UHFFFAOYSA-N 0 0 323.436 4.299 50 0 DIAARN Cc1cc(Cl)ccc1OC(=O)COc1cccc(Cl)c1 ZINC000000122572 563571336 /nfs/dbraw/zinc/57/13/36/563571336.db2.gz UOYIDYVJFFJHKS-UHFFFAOYSA-N 0 0 311.164 4.286 50 0 DIAARN CCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 ZINC000000143311 563572581 /nfs/dbraw/zinc/57/25/81/563572581.db2.gz BKJRDFOZYIPRNV-UHFFFAOYSA-N 0 0 314.366 4.054 50 0 DIAARN COC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccccc1 ZINC000000151122 563573366 /nfs/dbraw/zinc/57/33/66/563573366.db2.gz NMMNNMYCUWOQQF-UHFFFAOYSA-N 0 0 317.410 4.105 50 0 DIAARN CCn1c2ccccc2cc(-c2ccc3ccccc3n2)c1=O ZINC000000173056 563574621 /nfs/dbraw/zinc/57/46/21/563574621.db2.gz LBSLHNOAGMURQJ-UHFFFAOYSA-N 0 0 300.361 4.237 50 0 DIAARN Cc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1C ZINC000000178098 563575084 /nfs/dbraw/zinc/57/50/84/563575084.db2.gz KNJMYOLALONEOX-YBEGLDIGSA-N 0 0 311.768 4.301 50 0 DIAARN CSc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1 ZINC000000178004 563575269 /nfs/dbraw/zinc/57/52/69/563575269.db2.gz CKTOHFQTRFZHFV-WJDWOHSUSA-N 0 0 309.390 4.061 50 0 DIAARN Cc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1C ZINC000000177175 563575283 /nfs/dbraw/zinc/57/52/83/563575283.db2.gz CXGLBJIGSVVOQL-XICJKMHVSA-N 0 0 303.361 4.204 50 0 DIAARN CCOc1ccc(-c2ncnn2-c2cccc(Cl)c2C)cc1 ZINC000000180854 563575707 /nfs/dbraw/zinc/57/57/07/563575707.db2.gz BPLQWEWBYDKTBA-UHFFFAOYSA-N 0 0 313.788 4.295 50 0 DIAARN CCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000000188380 563576002 /nfs/dbraw/zinc/57/60/02/563576002.db2.gz BFILLQNBGFZRBP-UHFFFAOYSA-N 0 0 312.394 4.120 50 0 DIAARN Cc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 ZINC000000187784 563576096 /nfs/dbraw/zinc/57/60/96/563576096.db2.gz BMESTBJGQQVWBW-UHFFFAOYSA-N 0 0 310.422 4.343 50 0 DIAARN Cc1cc2sc(NC(=O)c3ccc(F)cc3)nc2c(C)c1 ZINC000000191235 563576721 /nfs/dbraw/zinc/57/67/21/563576721.db2.gz BIFFDVPELMOLGR-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN O=C(Nc1cccc2ncccc21)c1csc2c1CCCC2 ZINC000000194907 563576872 /nfs/dbraw/zinc/57/68/72/563576872.db2.gz VKJWLSVSDSWCIN-UHFFFAOYSA-N 0 0 308.406 4.427 50 0 DIAARN c1cn2cc(CSc3nc4ccccc4s3)nc2s1 ZINC000000193638 563577250 /nfs/dbraw/zinc/57/72/50/563577250.db2.gz AQDXZCMAHMARDK-UHFFFAOYSA-N 0 0 303.437 4.298 50 0 DIAARN CCN(CC)c1ccc2c(C)c([C@@H]3CCCCO3)c(=O)oc2c1 ZINC000050073002 563577270 /nfs/dbraw/zinc/57/72/70/563577270.db2.gz IMCCPIDMKLLIRP-INIZCTEOSA-N 0 0 315.413 4.189 50 0 DIAARN O=S(=O)(c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000000209169 563578072 /nfs/dbraw/zinc/57/80/72/563578072.db2.gz VNESCOZPINJUNK-UHFFFAOYSA-N 0 0 322.385 4.356 50 0 DIAARN CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(C)cc3)c(O)cc21 ZINC000000202661 563578087 /nfs/dbraw/zinc/57/80/87/563578087.db2.gz SLBHRCLGSJLTPP-UHFFFAOYSA-N 0 0 323.392 4.344 50 0 aggregator DIAARN COc1ccc(Nc2ncnc3sc(C)c(C)c32)c(OC)c1 ZINC000000215470 563578687 /nfs/dbraw/zinc/57/86/87/563578687.db2.gz NHSCZAJPRVPCTG-UHFFFAOYSA-N 0 0 315.398 4.069 50 0 DIAARN Cc1cc(C(=O)NCc2ccccc2Cl)c2ccccc2n1 ZINC000000217253 563579032 /nfs/dbraw/zinc/57/90/32/563579032.db2.gz YSAIVZLHCRYKHX-UHFFFAOYSA-N 0 0 310.784 4.127 50 0 DIAARN Cn1cc(CCC(=O)NC2CCCCCCC2)c2ccccc21 ZINC000000218464 563579282 /nfs/dbraw/zinc/57/92/82/563579282.db2.gz UHQYGBXSPIBLET-UHFFFAOYSA-N 0 0 312.457 4.340 50 0 DIAARN Fc1nc(F)c(F)c(Sc2cccc3cccnc32)c1F ZINC000000227414 563579680 /nfs/dbraw/zinc/57/96/80/563579680.db2.gz LTDWUYCRXHWEDH-UHFFFAOYSA-N 0 0 310.275 4.337 50 0 DIAARN Cc1cccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000000240158 563580216 /nfs/dbraw/zinc/58/02/16/563580216.db2.gz RJULKOAZXBIPRI-QGZVFWFLSA-N 0 0 311.454 4.314 50 0 biogenic DIAARN Nc1cc(C(=O)Nc2ccc3ccccc3c2O)ccc1Cl ZINC000000235373 563580569 /nfs/dbraw/zinc/58/05/69/563580569.db2.gz DYPHUKKIZFUWMI-UHFFFAOYSA-N 0 0 312.756 4.033 50 0 DIAARN CCc1ccccc1NC(=O)c1cccc(Br)c1 ZINC000000241860 563581077 /nfs/dbraw/zinc/58/10/77/563581077.db2.gz SALAACRMWUXPGA-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN CC(=O)Nc1ccc(Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000000250294 563582464 /nfs/dbraw/zinc/58/24/64/563582464.db2.gz QNJQVODFGOQTNK-UHFFFAOYSA-N 0 0 312.398 4.010 50 0 DIAARN CCc1ccccc1NC(=S)N1CC[C@H](c2ccccc2)C1 ZINC000000263667 563583607 /nfs/dbraw/zinc/58/36/07/563583607.db2.gz PBJUZBZQMFKVCG-KRWDZBQOSA-N 0 0 310.466 4.435 50 0 DIAARN CC(C)N1C(=S)N=NC1COc1ccc(C(C)(C)C)cc1 ZINC000011692591 563587956 /nfs/dbraw/zinc/58/79/56/563587956.db2.gz INGWKTTXIWHJJW-UHFFFAOYSA-N 0 0 305.447 4.024 50 0 DIAARN CCn1nc(C(=O)Nc2ccc(C)c(C)c2)c(Cl)c1Cl ZINC000000341170 563588633 /nfs/dbraw/zinc/58/86/33/563588633.db2.gz YGGLDRRKWAWHQG-UHFFFAOYSA-N 0 0 312.200 4.079 50 0 DIAARN O[C@@H](c1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000000348163 563589377 /nfs/dbraw/zinc/58/93/77/563589377.db2.gz MHAZCQNKLXWHEG-HXUWFJFHSA-N 0 0 314.388 4.166 50 0 DIAARN O=C(/C=C/c1ccccc1)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000000348958 563589523 /nfs/dbraw/zinc/58/95/23/563589523.db2.gz BOSOJKZVVTUPTA-BUHFOSPRSA-N 0 0 318.420 4.101 50 0 DIAARN Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C(C)C)n1 ZINC000011695170 563590287 /nfs/dbraw/zinc/59/02/87/563590287.db2.gz HTCVAFHFWPBUEH-UHFFFAOYSA-N 0 0 312.200 4.332 50 0 DIAARN Cc1cccc(C2=N/C(=C/c3cccc(OC(C)C)c3)C(=O)O2)c1 ZINC000000370629 563590767 /nfs/dbraw/zinc/59/07/67/563590767.db2.gz CLNVCAXGNNRPLT-LDADJPATSA-N 0 0 321.376 4.127 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(Br)cc2F)cc1 ZINC000000381328 563591295 /nfs/dbraw/zinc/59/12/95/563591295.db2.gz XRXGVEILQRLDTE-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000000378710 563591451 /nfs/dbraw/zinc/59/14/51/563591451.db2.gz DTPYIXJNFSQTGQ-HNNXBMFYSA-N 0 0 324.311 4.003 50 0 DIAARN O=C1Nc2ccccc2SC1=CNc1ccccc1Cl ZINC000100392079 563592110 /nfs/dbraw/zinc/59/21/10/563592110.db2.gz AJMWBLORADWGCJ-NTEUORMPSA-N 0 0 302.786 4.338 50 0 DIAARN O=C1OC(=CNc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000100406364 563592442 /nfs/dbraw/zinc/59/24/42/563592442.db2.gz LGZNJXYBMVJCGL-ZROIWOOFSA-N 0 0 305.255 4.286 50 0 DIAARN COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000000387061 563594954 /nfs/dbraw/zinc/59/49/54/563594954.db2.gz RVQMVEPGDWZXKC-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN Clc1ccc2c(c1)Nc1cc3c(cc1N2)=NC1(CCCCC1)N=3 ZINC000135827286 563596011 /nfs/dbraw/zinc/59/60/11/563596011.db2.gz MKHTZRLIGURCKU-UHFFFAOYSA-N 0 0 324.815 4.054 50 0 DIAARN COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2ccccc2n1 ZINC000038486579 563598913 /nfs/dbraw/zinc/59/89/13/563598913.db2.gz IYGPSAJZGAWZGS-UHFFFAOYSA-N 0 0 314.291 4.043 50 0 DIAARN O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccco1 ZINC000011854114 563600018 /nfs/dbraw/zinc/60/00/18/563600018.db2.gz UVKRUJISHRPOBR-UHFFFAOYSA-N 0 0 319.316 4.231 50 0 DIAARN Clc1cc(CSc2nccn2C2CC2)c2c(c1)COCO2 ZINC000011893153 563600983 /nfs/dbraw/zinc/60/09/83/563600983.db2.gz AEOBGNVNPIIAGV-UHFFFAOYSA-N 0 0 322.817 4.030 50 0 DIAARN c1ccc2c(c1)ncnc2Nc1ccc(Cc2ccncc2)cc1 ZINC000011906940 563600997 /nfs/dbraw/zinc/60/09/97/563600997.db2.gz HFSZRKAZKIZPLD-UHFFFAOYSA-N 0 0 312.376 4.359 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1F ZINC000011916781 563601168 /nfs/dbraw/zinc/60/11/68/563601168.db2.gz SWOOYYNFMIDTRY-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN Cc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000011914652 563601801 /nfs/dbraw/zinc/60/18/01/563601801.db2.gz DTEXTRDCXPHURX-UHFFFAOYSA-N 0 0 320.392 4.156 50 0 DIAARN Cc1nsc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)n1 ZINC000011917246 563602284 /nfs/dbraw/zinc/60/22/84/563602284.db2.gz URIGRMBLXXLMHO-UHFFFAOYSA-N 0 0 321.789 4.115 50 0 DIAARN COc1ccc(Cl)cc1Nc1nc(SC)nc2c1CCC2 ZINC000012016504 563603728 /nfs/dbraw/zinc/60/37/28/563603728.db2.gz SFOOADSJYHPJHW-UHFFFAOYSA-N 0 0 321.833 4.093 50 0 DIAARN CC(=O)c1ccc(NCc2noc(-c3ccccc3C)n2)cc1C ZINC000135078825 563608106 /nfs/dbraw/zinc/60/81/06/563608106.db2.gz ZQVFZKIBLRLHKD-UHFFFAOYSA-N 0 0 321.380 4.168 50 0 DIAARN Cc1ccc2nc(-c3cccnc3)c(NC3CCCCC3)n2c1 ZINC000000417868 563611300 /nfs/dbraw/zinc/61/13/00/563611300.db2.gz MSAMYZZCDZWSEE-UHFFFAOYSA-N 0 0 306.413 4.449 50 0 DIAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(F)c2)c1 ZINC000000423845 563612063 /nfs/dbraw/zinc/61/20/63/563612063.db2.gz COZUSYZMKQEIRU-KRWDZBQOSA-N 0 0 301.386 4.221 50 0 DIAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(F)c(F)c2)c1 ZINC000000423873 563612189 /nfs/dbraw/zinc/61/21/89/563612189.db2.gz BISHJYLLHUYEBL-KRWDZBQOSA-N 0 0 319.376 4.360 50 0 DIAARN Cc1ccc2cc3cc(C(=O)N4CCC(C)CC4)oc3nc2c1 ZINC000000428981 563612915 /nfs/dbraw/zinc/61/29/15/563612915.db2.gz ZFXUHCZOTHUBSJ-UHFFFAOYSA-N 0 0 308.381 4.162 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1 ZINC000000430887 563614065 /nfs/dbraw/zinc/61/40/65/563614065.db2.gz KXQRLXNNHWKGBE-QSJINSDNSA-N 0 0 309.752 4.241 50 0 DIAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1cccs1 ZINC000000431035 563614651 /nfs/dbraw/zinc/61/46/51/563614651.db2.gz LIXHFQPWTPVANQ-YRNVUSSQSA-N 0 0 324.188 4.399 50 0 DIAARN CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000010119478 563615217 /nfs/dbraw/zinc/61/52/17/563615217.db2.gz HLKXCQBXBWATQW-UHFFFAOYSA-N 0 0 310.353 4.084 50 0 DIAARN CC(C)c1nc([C@@H]2CCCN2Cc2cccc3cccnc32)no1 ZINC000075581715 563616730 /nfs/dbraw/zinc/61/67/30/563616730.db2.gz GZQGZRBIYBLUKN-INIZCTEOSA-N 0 0 322.412 4.078 50 0 DIAARN Cc1cc(OCC(=O)Oc2ccc(F)cc2)cc(C)c1Cl ZINC000000463051 563617853 /nfs/dbraw/zinc/61/78/53/563617853.db2.gz GOKAISPUUXDBKN-UHFFFAOYSA-N 0 0 308.736 4.080 50 0 DIAARN Cn1c(N)c(-c2cccc(Br)c2)c2ccccc21 ZINC000034069264 563619729 /nfs/dbraw/zinc/61/97/29/563619729.db2.gz GYBCDWMZIBFETC-UHFFFAOYSA-N 0 0 301.187 4.190 50 0 DIAARN CCC(=O)N1CCO[C@@H]1C(C)(C)C=C=C(C)CCC=C(C)C ZINC000003127907 563622232 /nfs/dbraw/zinc/62/22/32/563622232.db2.gz FOTVAGTUCCEUNZ-KKIBXBACSA-N 0 0 305.462 4.455 50 0 biogenic DIAARN CC(C)OC1CCC(NC(=O)N(C)C2CCC(C)(C)CC2)CC1 ZINC000152060852 563622775 /nfs/dbraw/zinc/62/27/75/563622775.db2.gz PASVFQAMTVURMA-UHFFFAOYSA-N 0 0 324.509 4.333 50 0 DIAARN Cc1nc2ccccc2c(C)c1CC(=O)NCCC1=CCCCC1 ZINC000007980299 563622857 /nfs/dbraw/zinc/62/28/57/563622857.db2.gz KOJGEJROGVRSDO-UHFFFAOYSA-N 0 0 322.452 4.401 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)N1CC=C(c2ccccc2)CC1 ZINC000007989199 563625788 /nfs/dbraw/zinc/62/57/88/563625788.db2.gz NETCPGLTVUTDLX-UHFFFAOYSA-N 0 0 316.404 4.026 50 0 DIAARN COc1cccc(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000017252250 563626871 /nfs/dbraw/zinc/62/68/71/563626871.db2.gz GYFVTEAYJLVNMX-UHFFFAOYSA-N 0 0 311.410 4.322 50 0 DIAARN CSc1ncccc1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000017369136 563627309 /nfs/dbraw/zinc/62/73/09/563627309.db2.gz MRZFEGCIDPETSB-LLVKDONJSA-N 0 0 312.394 4.041 50 0 DIAARN Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1 ZINC000000211482 563628329 /nfs/dbraw/zinc/62/83/29/563628329.db2.gz GSMUXMUMERCXHJ-UHFFFAOYSA-N 0 0 306.394 4.040 50 0 aggregator DIAARN O=C(c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000000174089 563628360 /nfs/dbraw/zinc/62/83/60/563628360.db2.gz NEKLIGPSTUGKOR-UHFFFAOYSA-N 0 0 301.267 4.485 50 0 DIAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000000048105 563628421 /nfs/dbraw/zinc/62/84/21/563628421.db2.gz RIKKIOXSZGJDPJ-UHFFFAOYSA-N 0 0 303.789 4.481 50 0 DIAARN COc1ccc(C(C)=O)cc1COc1ccc(Cl)c(C)c1 ZINC000000137768 563628454 /nfs/dbraw/zinc/62/84/54/563628454.db2.gz JYCIAPZPVCQSNP-UHFFFAOYSA-N 0 0 304.773 4.439 50 0 DIAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(C)c1 ZINC000000295923 563629184 /nfs/dbraw/zinc/62/91/84/563629184.db2.gz RLLFPSLSXVSXGQ-UHFFFAOYSA-N 0 0 317.410 4.048 50 0 DIAARN O=C(COc1ccc(Cl)cc1Cl)OCc1ccccc1 ZINC000000451446 563630233 /nfs/dbraw/zinc/63/02/33/563630233.db2.gz CTPBQERXEKWBKV-UHFFFAOYSA-N 0 0 311.164 4.116 50 0 DIAARN O=S(=O)(NC1CCCCC1)c1ccc(C2CCCCC2)cc1 ZINC000000460532 563630709 /nfs/dbraw/zinc/63/07/09/563630709.db2.gz IQSSCTBBGKBROB-UHFFFAOYSA-N 0 0 321.486 4.345 50 0 DIAARN Cc1ccc2cccc(OCC(=O)c3ccc(C)c(C)c3)c2n1 ZINC000000579119 563631337 /nfs/dbraw/zinc/63/13/37/563631337.db2.gz BGNRIKOZYVEXGG-UHFFFAOYSA-N 0 0 305.377 4.422 50 0 DIAARN O=C(c1ccccn1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206879327 563639886 /nfs/dbraw/zinc/63/98/86/563639886.db2.gz KEVCWQWBOAHHOZ-HNNXBMFYSA-N 0 0 314.816 4.145 50 0 DIAARN C[C@@H](NC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000003159287 563641267 /nfs/dbraw/zinc/64/12/67/563641267.db2.gz XTZJACNMLRGLOX-LLVKDONJSA-N 0 0 319.202 4.332 50 0 DIAARN O=C(/C=C/c1cccs1)N1CCS[C@H](c2ccco2)CC1 ZINC000207005513 563643583 /nfs/dbraw/zinc/64/35/83/563643583.db2.gz XMQKOAIOQGYMTO-NFAHFFEMSA-N 0 0 319.451 4.061 50 0 DIAARN O=C(NC1CCCCCCC1)c1ccc(Br)cc1 ZINC000000482613 563644954 /nfs/dbraw/zinc/64/49/54/563644954.db2.gz DLIJUJNLPMLBED-UHFFFAOYSA-N 0 0 310.235 4.292 50 0 DIAARN C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000000493249 563649825 /nfs/dbraw/zinc/64/98/25/563649825.db2.gz VFGLASWXMXYGTI-OAHLLOKOSA-N 0 0 305.377 4.096 50 0 DIAARN Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc12 ZINC000000492742 563650302 /nfs/dbraw/zinc/65/03/02/563650302.db2.gz LXFWPKWRSTYWCW-IAGOWNOFSA-N 0 0 302.377 4.164 50 0 DIAARN Cc1cc(C)c2sc(NC(=O)CCC3CCCC3)nc2n1 ZINC000011666321 563650308 /nfs/dbraw/zinc/65/03/08/563650308.db2.gz GDNZRCHYDNQBDV-UHFFFAOYSA-N 0 0 303.431 4.217 50 0 DIAARN CCc1nc2sc3c(ncnc3Cl)c2c2c1CCCC2 ZINC000000500018 563652468 /nfs/dbraw/zinc/65/24/68/563652468.db2.gz HBBIIEOBKUAYAG-UHFFFAOYSA-N 0 0 303.818 4.334 50 0 DIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000012546282 563652986 /nfs/dbraw/zinc/65/29/86/563652986.db2.gz TTXSZPIUMBLQMQ-UHFFFAOYSA-N 0 0 306.152 4.122 50 0 DIAARN Cc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000101329212 563654822 /nfs/dbraw/zinc/65/48/22/563654822.db2.gz BCMCFVSLWAPEAD-QGZVFWFLSA-N 0 0 322.799 4.296 50 0 DIAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccncc3)C12 ZINC000101815043 563657239 /nfs/dbraw/zinc/65/72/39/563657239.db2.gz GMQVAEPBORNVRN-GOSISDBHSA-N 0 0 316.364 4.103 50 0 DIAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1OC ZINC000000510047 563658936 /nfs/dbraw/zinc/65/89/36/563658936.db2.gz NSJVBRIUAWFZGF-GOSISDBHSA-N 0 0 322.408 4.091 50 0 DIAARN COc1ccc(-c2noc(-c3cc(C)ccc3C)n2)cc1OC ZINC000000514702 563661181 /nfs/dbraw/zinc/66/11/81/563661181.db2.gz POYAUUJRFUYXKU-UHFFFAOYSA-N 0 0 310.353 4.038 50 0 DIAARN Cc1csc(C2=C(N)N(C3CCCCCCC3)CC2=O)n1 ZINC000102726410 563661501 /nfs/dbraw/zinc/66/15/01/563661501.db2.gz ATYOKMXFWBYGQE-UHFFFAOYSA-N 0 0 305.447 4.126 50 0 DIAARN CCCC[C@H](CC)CN1CC(=O)C(c2nc(C)cs2)=C1N ZINC000102734190 563662015 /nfs/dbraw/zinc/66/20/15/563662015.db2.gz AURZVRQJBIPUDB-LBPRGKRZSA-N 0 0 307.463 4.230 50 0 DIAARN Cc1nc(C2=C(N)N(c3ccccc3Cl)CC2=O)sc1C ZINC000102731959 563662052 /nfs/dbraw/zinc/66/20/52/563662052.db2.gz HNCQLUZLDZBNOJ-UHFFFAOYSA-N 0 0 319.817 4.180 50 0 DIAARN C[C@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000000519988 563662667 /nfs/dbraw/zinc/66/26/67/563662667.db2.gz OXWFTMXZJCILRG-AWEZNQCLSA-N 0 0 304.397 4.071 50 0 DIAARN Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c2c1CCCC2 ZINC000000521114 563664043 /nfs/dbraw/zinc/66/40/43/563664043.db2.gz CGAFUKHGBRRBDA-UHFFFAOYSA-N 0 0 322.433 4.297 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cccnc1 ZINC000000526131 563664853 /nfs/dbraw/zinc/66/48/53/563664853.db2.gz WMFUXKHRHUOOFY-MRXNPFEDSA-N 0 0 315.804 4.494 50 0 biogenic DIAARN Clc1ccccc1[C@H]1C[C@H](c2ccccc2)n2ncnc2N1 ZINC000000531922 563666290 /nfs/dbraw/zinc/66/62/90/563666290.db2.gz TUUXKVQSJDVIOR-HZPDHXFCSA-N 0 0 310.788 4.078 50 0 DIAARN CC(C)NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000000533955 563666816 /nfs/dbraw/zinc/66/68/16/563666816.db2.gz JOUDTJRBGWOBSN-UHFFFAOYSA-N 0 0 302.424 4.163 50 0 DIAARN Cc1ccc2[nH]c3c(ncnc3NCc3ccc(F)cc3)c2c1 ZINC000000536801 563667359 /nfs/dbraw/zinc/66/73/59/563667359.db2.gz SQTCPZIYLGWHTR-UHFFFAOYSA-N 0 0 306.344 4.171 50 0 DIAARN CCCc1ccccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000024502907 563668329 /nfs/dbraw/zinc/66/83/29/563668329.db2.gz UISCJVMKELELPF-UHFFFAOYSA-N 0 0 322.408 4.240 50 0 DIAARN CCC[C@@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 ZINC000000544833 563668841 /nfs/dbraw/zinc/66/88/41/563668841.db2.gz MVABJVCWQSCXSK-QGZVFWFLSA-N 0 0 307.397 4.143 50 0 DIAARN Cc1nc2sc3c(c2c(Nc2cccc(O)c2)n1)CCCC3 ZINC000000554965 563670600 /nfs/dbraw/zinc/67/06/00/563670600.db2.gz FYAODBJJQGRMIW-UHFFFAOYSA-N 0 0 311.410 4.328 50 0 DIAARN CC(C)(C)c1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 ZINC000000567921 563671468 /nfs/dbraw/zinc/67/14/68/563671468.db2.gz LHEYNJPHRXNSJQ-UHFFFAOYSA-N 0 0 300.427 4.456 50 0 DIAARN CCOc1cccc2sc(NC(=O)c3cccs3)nc21 ZINC000000567752 563671520 /nfs/dbraw/zinc/67/15/20/563671520.db2.gz IRLLWNWVBDMAIB-UHFFFAOYSA-N 0 0 304.396 4.009 50 0 DIAARN Cc1cc(NC(=O)CSc2c(Cl)cccc2Cl)on1 ZINC000014789273 563673291 /nfs/dbraw/zinc/67/32/91/563673291.db2.gz RWDXMDMFPKVCBA-UHFFFAOYSA-N 0 0 317.197 4.021 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCc2sccc2C1 ZINC000014804073 563673310 /nfs/dbraw/zinc/67/33/10/563673310.db2.gz PXJSYFFGGBFJGK-UHFFFAOYSA-N 0 0 324.449 4.137 50 0 DIAARN Cc1cccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)c1 ZINC000046913961 563677899 /nfs/dbraw/zinc/67/78/99/563677899.db2.gz KFMWHADBSLRJRF-UHFFFAOYSA-N 0 0 319.368 4.053 50 0 DIAARN C[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1ccccn1 ZINC000046890019 563678296 /nfs/dbraw/zinc/67/82/96/563678296.db2.gz YHDCJNUNEQNFCJ-ZLPCBKJTSA-N 0 0 323.440 4.168 50 0 DIAARN C[C@@H](Nc1cccc2c1OCCO2)c1ccc(OC(F)F)cc1 ZINC000194444533 563680472 /nfs/dbraw/zinc/68/04/72/563680472.db2.gz LZLHKOMRXQJPGJ-LLVKDONJSA-N 0 0 321.323 4.232 50 0 DIAARN CCn1c2ccccc2s/c1=N/C(=O)c1cccc(Cl)c1 ZINC000012180870 563681179 /nfs/dbraw/zinc/68/11/79/563681179.db2.gz ASTQKQDUJAGACZ-FBMGVBCBSA-N 0 0 316.813 4.117 50 0 DIAARN O=C(c1cc(Cl)sc1Cl)N1CCc2sccc2C1 ZINC000012216047 563681777 /nfs/dbraw/zinc/68/17/77/563681777.db2.gz QSFOJQMBSOWWEQ-UHFFFAOYSA-N 0 0 318.250 4.315 50 0 DIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccs1 ZINC000044869410 563684721 /nfs/dbraw/zinc/68/47/21/563684721.db2.gz AFCCGRRJCAHQML-JTQLQIEISA-N 0 0 302.424 4.191 50 0 DIAARN C[C@H]1CCCCN1C(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838694 563684904 /nfs/dbraw/zinc/68/49/04/563684904.db2.gz VPZGNICPHWXKPJ-AWEZNQCLSA-N 0 0 319.408 4.245 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)[nH]n2)cc1 ZINC000044839119 563685140 /nfs/dbraw/zinc/68/51/40/563685140.db2.gz QQXRKZGZXDSTRO-CYBMUJFWSA-N 0 0 323.371 4.015 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)o1 ZINC000045042728 563687605 /nfs/dbraw/zinc/68/76/05/563687605.db2.gz WQLUJHWHKKFQOR-CYBMUJFWSA-N 0 0 317.433 4.154 50 0 DIAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccco2)o1 ZINC000045003282 563687845 /nfs/dbraw/zinc/68/78/45/563687845.db2.gz XABVNYBWRQYEGD-GFCCVEGCSA-N 0 0 323.352 4.269 50 0 DIAARN CCOC(=O)c1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000051354151 563689109 /nfs/dbraw/zinc/68/91/09/563689109.db2.gz DAVWAQRCKFJHPC-UHFFFAOYSA-N 0 0 312.369 4.124 50 0 DIAARN O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000045370989 563689434 /nfs/dbraw/zinc/68/94/34/563689434.db2.gz VIAIEZSEWXALKN-CQSZACIVSA-N 0 0 322.191 4.247 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1 ZINC000051354262 563690715 /nfs/dbraw/zinc/69/07/15/563690715.db2.gz HLEQGVOGVFSDDI-UHFFFAOYSA-N 0 0 312.369 4.070 50 0 DIAARN C[C@H](NC(=O)Nc1ccccc1F)c1cccc(OC(F)F)c1 ZINC000045954299 563691177 /nfs/dbraw/zinc/69/11/77/563691177.db2.gz CGHHAJHJJWBPOH-JTQLQIEISA-N 0 0 324.302 4.310 50 0 DIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000046017921 563691269 /nfs/dbraw/zinc/69/12/69/563691269.db2.gz FKDIVVLLLIPSNI-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(c1c(F)cccc1F)N1CCC[C@H]1c1ccccc1F ZINC000046018028 563691681 /nfs/dbraw/zinc/69/16/81/563691681.db2.gz ITGWYDLIPYJULZ-HNNXBMFYSA-N 0 0 305.299 4.081 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1F ZINC000046018534 563691720 /nfs/dbraw/zinc/69/17/20/563691720.db2.gz WLCFWNVDHMMNSY-INIZCTEOSA-N 0 0 314.360 4.203 50 0 DIAARN Cc1noc([C@H](C)Sc2nc(C3CC3)nc3ccccc32)n1 ZINC000048272058 563694767 /nfs/dbraw/zinc/69/47/67/563694767.db2.gz JEXYFIILSXKFJE-VIFPVBQESA-N 0 0 312.398 4.052 50 0 DIAARN C[C@H](NC(=O)NCCSCc1cccs1)c1ccccc1 ZINC000048311344 563695746 /nfs/dbraw/zinc/69/57/46/563695746.db2.gz HHUKDSYELSHLOF-ZDUSSCGKSA-N 0 0 320.483 4.042 50 0 DIAARN O=C(N[C@H]1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1 ZINC000048312040 563695907 /nfs/dbraw/zinc/69/59/07/563695907.db2.gz ZFRSMKDKKIVYCQ-INIZCTEOSA-N 0 0 310.784 4.239 50 0 DIAARN Cc1ccc(SCc2coc(-c3cccc(F)c3)n2)nc1 ZINC000048325766 563696326 /nfs/dbraw/zinc/69/63/26/563696326.db2.gz UHCSIYQVMNWOFV-UHFFFAOYSA-N 0 0 300.358 4.476 50 0 DIAARN O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CC=CCC1 ZINC000048324992 563696337 /nfs/dbraw/zinc/69/63/37/563696337.db2.gz IJFOFKXFABVNNA-OAHLLOKOSA-N 0 0 301.405 4.110 50 0 DIAARN Cc1cc(C)c(NC(=O)Cc2ccc3ccccc3c2)c(C)n1 ZINC000048341918 563696957 /nfs/dbraw/zinc/69/69/57/563696957.db2.gz OFQVVVVWZYIKGS-UHFFFAOYSA-N 0 0 304.393 4.341 50 0 DIAARN Cc1ccc([C@@H](C)N(C)Cc2nc(-c3ccsc3)no2)s1 ZINC000048342216 563697066 /nfs/dbraw/zinc/69/70/66/563697066.db2.gz BBRDOUGUMMSYSN-LLVKDONJSA-N 0 0 319.455 4.361 50 0 DIAARN Cc1cc(C)c(NC(=O)/C=C/c2cccc(Cl)c2)c(C)n1 ZINC000048344457 563697106 /nfs/dbraw/zinc/69/71/06/563697106.db2.gz NGKAGZXYCHWGEC-BQYQJAHWSA-N 0 0 300.789 4.312 50 0 DIAARN Cc1cc(CSc2ncc(C(F)(F)F)cc2Cl)on1 ZINC000048397363 563697918 /nfs/dbraw/zinc/69/79/18/563697918.db2.gz BVMNTYOQDHDZIY-UHFFFAOYSA-N 0 0 308.712 4.343 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CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000008480301 563722424 /nfs/dbraw/zinc/72/24/24/563722424.db2.gz JVHLSASJHOLMDQ-DYVFJYSZSA-N 0 0 317.816 4.375 50 0 DIAARN Clc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000008419178 563722441 /nfs/dbraw/zinc/72/24/41/563722441.db2.gz GGEBNEHQXNOXOW-UHFFFAOYSA-N 0 0 308.566 4.041 50 0 DIAARN O=C(NCCCC[C@H]1CCCO1)c1ccc(-c2ccco2)cc1 ZINC000222227539 563724444 /nfs/dbraw/zinc/72/44/44/563724444.db2.gz XTBLQBSGNIZFIK-KRWDZBQOSA-N 0 0 313.397 4.026 50 0 DIAARN COCC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 ZINC000222923162 563729308 /nfs/dbraw/zinc/72/93/08/563729308.db2.gz VCMDUKVJMKIJAD-SFHVURJKSA-N 0 0 323.436 4.385 50 0 DIAARN CCc1ccc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)[nH]1 ZINC000223679584 563735127 /nfs/dbraw/zinc/73/51/27/563735127.db2.gz KOPYTHDNTJDAIQ-SFHVURJKSA-N 0 0 314.404 4.474 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)CSc2ccccn2)cc1 ZINC000000044039 563739962 /nfs/dbraw/zinc/73/99/62/563739962.db2.gz VYFRWIVTJWMADJ-ZDUSSCGKSA-N 0 0 300.427 4.326 50 0 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563799119 /nfs/dbraw/zinc/79/91/19/563799119.db2.gz OQDSOHYNCNSWJH-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN Cc1cccnc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000012542674 563799488 /nfs/dbraw/zinc/79/94/88/563799488.db2.gz AJVPZUHFTKUFMO-UHFFFAOYSA-N 0 0 322.389 4.263 50 0 DIAARN Cc1cc(OCc2ccc(-c3nnco3)cc2)ccc1Cl ZINC000003256234 563799705 /nfs/dbraw/zinc/79/97/05/563799705.db2.gz PUNRUDQQSVEYPF-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN COc1ccc(Nc2ccc(NC(=O)c3ccoc3)cc2)cc1 ZINC000012549530 563800584 /nfs/dbraw/zinc/80/05/84/563800584.db2.gz BCEGYGLZGSKVGR-UHFFFAOYSA-N 0 0 308.337 4.284 50 0 DIAARN Cc1nc2cc(NC(=O)C3CCCC3)ccc2n1-c1ccccc1 ZINC000012546438 563800638 /nfs/dbraw/zinc/80/06/38/563800638.db2.gz GSPVJPIFBCGCKN-UHFFFAOYSA-N 0 0 319.408 4.463 50 0 DIAARN Fc1ccc(-c2cn3cc(Br)ccc3n2)cc1F ZINC000012546569 563800728 /nfs/dbraw/zinc/80/07/28/563800728.db2.gz BDNKRCRYIAAMLL-UHFFFAOYSA-N 0 0 309.113 4.042 50 0 DIAARN CSc1ccccc1C(=O)NCCCn1ccc2ccccc21 ZINC000012555746 563800863 /nfs/dbraw/zinc/80/08/63/563800863.db2.gz GCLGNHUKYRJRSY-UHFFFAOYSA-N 0 0 324.449 4.183 50 0 DIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012569361 563801906 /nfs/dbraw/zinc/80/19/06/563801906.db2.gz SVTFMRYDPCZBSH-PBHICJAKSA-N 0 0 310.397 4.136 50 0 DIAARN CC(C)c1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000012594369 563802980 /nfs/dbraw/zinc/80/29/80/563802980.db2.gz SYOAOCQHAXZQJT-GFCCVEGCSA-N 0 0 317.820 4.298 50 0 DIAARN Cc1cc(C)cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000012609019 563803520 /nfs/dbraw/zinc/80/35/20/563803520.db2.gz SPZRIUOMLSWHGK-FQEVSTJZSA-N 0 0 316.404 4.218 50 0 DIAARN CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000012607458 563803761 /nfs/dbraw/zinc/80/37/61/563803761.db2.gz DBDDGSCEBASVIF-HXUWFJFHSA-N 0 0 316.404 4.163 50 0 DIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(Cl)c1)C2 ZINC000012619983 563804298 /nfs/dbraw/zinc/80/42/98/563804298.db2.gz NOOHDHIWXXMVRK-OAHLLOKOSA-N 0 0 303.814 4.304 50 0 DIAARN Cc1ccccc1-c1ccc(NC(=O)N2CCCC[C@@H]2CO)cc1 ZINC000299781083 563805716 /nfs/dbraw/zinc/80/57/16/563805716.db2.gz SQLQYLYLRAZJBS-GOSISDBHSA-N 0 0 324.424 4.041 50 0 DIAARN Cc1cc2cccc(NC(=O)N(C)CCC[C@@H]3CCCO3)c2o1 ZINC000299801916 563807015 /nfs/dbraw/zinc/80/70/15/563807015.db2.gz YVXKTQXPFALEBW-OAHLLOKOSA-N 0 0 316.401 4.164 50 0 DIAARN O=C(NCCCCCc1nc2ccccc2[nH]1)Nc1ccccc1 ZINC000263588836 563808376 /nfs/dbraw/zinc/80/83/76/563808376.db2.gz ZCPIZESIVHVDOJ-UHFFFAOYSA-N 0 0 322.412 4.097 50 0 DIAARN Cc1ccc(N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000078582378 563808394 /nfs/dbraw/zinc/80/83/94/563808394.db2.gz QAVPMEVWARFLAG-UHFFFAOYSA-N 0 0 320.392 4.286 50 0 DIAARN CC(C)Oc1ccccc1C[S@@](=O)Cc1ccccc1F ZINC000078556013 563808708 /nfs/dbraw/zinc/80/87/08/563808708.db2.gz VZFAZOWECAAMAA-OAQYLSRUSA-N 0 0 306.402 4.062 50 0 DIAARN Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)ccc1N(C)C ZINC000078413801 563808735 /nfs/dbraw/zinc/80/87/35/563808735.db2.gz DXICHOXALUMTHG-DYVFJYSZSA-N 0 0 303.450 4.103 50 0 DIAARN Cc1cc(SCC(=O)N(C)c2ccccc2)nc2ccccc12 ZINC000012659495 563809358 /nfs/dbraw/zinc/80/93/58/563809358.db2.gz MZPZYBZLFOOGQP-UHFFFAOYSA-N 0 0 322.433 4.298 50 0 DIAARN Cc1ccc2c(c1)[C@@H](O)C[C@H](C)N2C(=O)c1ccc(Cl)cc1 ZINC000001315218 563811446 /nfs/dbraw/zinc/81/14/46/563811446.db2.gz AZGHPONYURSMKP-SJCJKPOMSA-N 0 0 315.800 4.121 50 0 DIAARN COc1ccc2nc(C)c(C(=O)Oc3cccc(C)c3)cc2c1 ZINC000025765336 563811717 /nfs/dbraw/zinc/81/17/17/563811717.db2.gz AWOQPZGKHFBQNT-UHFFFAOYSA-N 0 0 307.349 4.079 50 0 DIAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000248379709 563812315 /nfs/dbraw/zinc/81/23/15/563812315.db2.gz NQUQIAYCNLKMTR-SBCDLMKJSA-N 0 0 316.441 4.265 50 0 biogenic DIAARN O=C(CC1CCCC1)OCc1cc(-c2ccc(F)cc2)on1 ZINC000012725857 563813922 /nfs/dbraw/zinc/81/39/22/563813922.db2.gz YBRKLVDVKHSBIY-UHFFFAOYSA-N 0 0 303.333 4.104 50 0 DIAARN OC(CSc1ccc(F)cc1)CSc1ccc(F)cc1 ZINC000001385787 563814352 /nfs/dbraw/zinc/81/43/52/563814352.db2.gz QPNDAMPJJVDLFA-UHFFFAOYSA-N 0 0 312.406 4.210 50 0 DIAARN O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1 ZINC000001384055 563814522 /nfs/dbraw/zinc/81/45/22/563814522.db2.gz YAGPULHIQXIETH-UHFFFAOYSA-N 0 0 320.845 4.013 50 0 DIAARN CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(-c2ccco2)n1 ZINC000012734527 563815885 /nfs/dbraw/zinc/81/58/85/563815885.db2.gz VXXPFSXXMXQCIA-UHFFFAOYSA-N 0 0 316.382 4.192 50 0 DIAARN CO[C@H](c1c(Cl)n(C)nc1-c1ccccc1)c1ccccc1 ZINC000001392098 563817630 /nfs/dbraw/zinc/81/76/30/563817630.db2.gz GNFHAMHITFBPIH-KRWDZBQOSA-N 0 0 312.800 4.476 50 0 DIAARN CN(Cc1ccco1)C(=O)c1ccccc1Nc1ccccc1 ZINC000012737675 563818076 /nfs/dbraw/zinc/81/80/76/563818076.db2.gz RVFOFIBZFBQJPF-UHFFFAOYSA-N 0 0 306.365 4.295 50 0 DIAARN COc1ccc(NC(=O)CSc2cccc(Cl)c2)cc1 ZINC000001396906 563818097 /nfs/dbraw/zinc/81/80/97/563818097.db2.gz GIUCPJPVQBGNBE-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN CN(Cc1ccccc1)C(=O)CSc1ccccc1Cl ZINC000001400538 563818517 /nfs/dbraw/zinc/81/85/17/563818517.db2.gz VGGAQSDVTVPMEO-UHFFFAOYSA-N 0 0 305.830 4.091 50 0 DIAARN CN(C(=O)CSCc1ccccc1Cl)c1ccccc1 ZINC000001402850 563818721 /nfs/dbraw/zinc/81/87/21/563818721.db2.gz NKOZVLZHGHPZCM-UHFFFAOYSA-N 0 0 305.830 4.236 50 0 DIAARN COC1CCC(N(C)C(=O)CCCc2cc(C)sc2C)CC1 ZINC000084081863 563821648 /nfs/dbraw/zinc/82/16/48/563821648.db2.gz JKBUFQRUSUAWIV-UHFFFAOYSA-N 0 0 323.502 4.104 50 0 DIAARN Cc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1 ZINC000009667353 563823656 /nfs/dbraw/zinc/82/36/56/563823656.db2.gz KIUGALMPMZUKHK-LLVKDONJSA-N 0 0 310.422 4.085 50 0 DIAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCC1CCC1 ZINC000084142165 563823733 /nfs/dbraw/zinc/82/37/33/563823733.db2.gz KZPCTANIJDINGB-UHFFFAOYSA-N 0 0 314.454 4.265 50 0 DIAARN Cc1ccccc1-c1cc(NCc2ccc(F)cc2F)n(C)n1 ZINC000084247659 563825862 /nfs/dbraw/zinc/82/58/62/563825862.db2.gz DNEFOIIJOVRIED-UHFFFAOYSA-N 0 0 313.351 4.286 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000012762172 563826405 /nfs/dbraw/zinc/82/64/05/563826405.db2.gz GVCYNDZGXZRVRN-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN CC(C)(C)SCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000012763826 563826514 /nfs/dbraw/zinc/82/65/14/563826514.db2.gz YFNICLMFNGMEGC-UHFFFAOYSA-N 0 0 313.492 4.056 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1F ZINC000012762181 563826588 /nfs/dbraw/zinc/82/65/88/563826588.db2.gz QHVLPXOEHSVPCU-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1CCc1ccccc1 ZINC000084528455 563827561 /nfs/dbraw/zinc/82/75/61/563827561.db2.gz PNEPHRMAAHLCMZ-OAQYLSRUSA-N 0 0 319.448 4.413 50 0 DIAARN Clc1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000012771674 563828139 /nfs/dbraw/zinc/82/81/39/563828139.db2.gz VGUOQXVWQFPHQJ-UHFFFAOYSA-N 0 0 322.755 4.261 50 0 DIAARN O=C(N1CCCc2ccccc21)C1(c2cccc(Cl)c2)CC1 ZINC000084581939 563828371 /nfs/dbraw/zinc/82/83/71/563828371.db2.gz PGYJRVKLBCJVAP-UHFFFAOYSA-N 0 0 311.812 4.351 50 0 DIAARN Cc1cc2ccccc2n1CC(=O)Nc1nc2ccccc2s1 ZINC000015612305 563829046 /nfs/dbraw/zinc/82/90/46/563829046.db2.gz RMLSOAROLBRNRF-UHFFFAOYSA-N 0 0 321.405 4.198 50 0 DIAARN C[C@@H](c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1 ZINC000084656009 563829174 /nfs/dbraw/zinc/82/91/74/563829174.db2.gz WWESJANIVPQXPT-QMMMGPOBSA-N 0 0 302.230 4.038 50 0 DIAARN CC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000084651743 563829337 /nfs/dbraw/zinc/82/93/37/563829337.db2.gz SRIBLHSJSRYPBG-HNNXBMFYSA-N 0 0 315.457 4.138 50 0 DIAARN Cc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078876888 563831278 /nfs/dbraw/zinc/83/12/78/563831278.db2.gz FFVPECXZABNKMA-CHWSQXEVSA-N 0 0 324.302 4.052 50 0 DIAARN Cc1cc(C)c2nc(C)cc(NC(=O)COc3ccccc3)c2c1 ZINC000012421882 563837551 /nfs/dbraw/zinc/83/75/51/563837551.db2.gz DUKGOTIPNHWFSX-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN Cc1ccc2[nH]c(C3CN(Cc4cccc(Cl)c4)C3)nc2c1 ZINC000085467291 563838208 /nfs/dbraw/zinc/83/82/08/563838208.db2.gz CADOGPIBEIFZME-UHFFFAOYSA-N 0 0 311.816 4.124 50 0 DIAARN O=C(c1cc(Cl)ccc1Cl)N1CC[C@@H](c2ccccn2)C1 ZINC000085472934 563838314 /nfs/dbraw/zinc/83/83/14/563838314.db2.gz BPEUCJSRYZWYFY-LLVKDONJSA-N 0 0 321.207 4.018 50 0 DIAARN Cc1cc2[nH]c(C(=O)Nc3nnc(C(C)C)s3)cc2c(C)c1 ZINC000012822943 563841167 /nfs/dbraw/zinc/84/11/67/563841167.db2.gz YDXZKDBRCDCIEE-UHFFFAOYSA-N 0 0 314.414 4.012 50 0 DIAARN O=C(NCCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000182114 563842377 /nfs/dbraw/zinc/84/23/77/563842377.db2.gz UBHGPRKDMGPKQX-UHFFFAOYSA-N 0 0 309.196 4.358 50 0 DIAARN CC(C)(C)C(=O)ON=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000005283928 563843864 /nfs/dbraw/zinc/84/38/64/563843864.db2.gz AIKLBACMVHJRKR-UHFFFAOYSA-N 0 0 319.445 4.459 50 0 DIAARN COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000001518397 563845508 /nfs/dbraw/zinc/84/55/08/563845508.db2.gz HNWJZJHWUTZIJQ-UHFFFAOYSA-N 0 0 318.785 4.211 50 0 DIAARN COC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1C ZINC000000399192 563846088 /nfs/dbraw/zinc/84/60/88/563846088.db2.gz AMHZAJWCOQZIIP-UHFFFAOYSA-N 0 0 318.760 4.079 50 0 DIAARN CC(C)(C)Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000000399868 563846792 /nfs/dbraw/zinc/84/67/92/563846792.db2.gz FSBITSLVTNOELH-UHFFFAOYSA-N 0 0 302.439 4.249 50 0 DIAARN COC(=O)c1ccc(-c2nc3c([nH]2)c(Cl)ccc3Cl)cc1 ZINC000033559047 563847477 /nfs/dbraw/zinc/84/74/77/563847477.db2.gz VMVSLTJQRCVAOL-UHFFFAOYSA-N 0 0 321.163 4.323 50 0 DIAARN CCCCCCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F ZINC000043198766 563848143 /nfs/dbraw/zinc/84/81/43/563848143.db2.gz ARYDVIMVWZULTO-HNNXBMFYSA-N 0 0 318.335 4.214 50 0 DIAARN CC1=CC[C@@H]2C3(CC[C@]2(C)[C@H](O)[C@@H]2CC=C[C@H]12)SCCS3 ZINC000071786454 563848751 /nfs/dbraw/zinc/84/87/51/563848751.db2.gz PTWNILMJFGNGRM-UUAJXVIYSA-N 0 0 322.539 4.482 50 0 DIAARN C[Si](C)(C)CCOCO[C@@H]1C=C(Br)CCC1 ZINC000169831743 563849546 /nfs/dbraw/zinc/84/95/46/563849546.db2.gz GOSYILGWVIGRTQ-LBPRGKRZSA-N 0 0 307.304 4.147 50 0 DIAARN Cc1nc2cc(NC(=O)c3ccc(F)cc3Cl)ccc2o1 ZINC000012882449 563851956 /nfs/dbraw/zinc/85/19/56/563851956.db2.gz VDNKAZIZHUSNJT-UHFFFAOYSA-N 0 0 304.708 4.181 50 0 DIAARN COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000012892224 563852521 /nfs/dbraw/zinc/85/25/21/563852521.db2.gz LWRRCNJPEFWMPU-KRWDZBQOSA-N 0 0 315.800 4.230 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000012883782 563852867 /nfs/dbraw/zinc/85/28/67/563852867.db2.gz ZOLIYXDHXRDLCQ-UHFFFAOYSA-N 0 0 324.405 4.461 50 0 DIAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)c2cccnc12 ZINC000012923324 563854525 /nfs/dbraw/zinc/85/45/25/563854525.db2.gz NMMPCNYTGBUUSB-KRWDZBQOSA-N 0 0 320.417 4.199 50 0 DIAARN COc1ccccc1[C@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC000012926150 563854673 /nfs/dbraw/zinc/85/46/73/563854673.db2.gz GNHSVNSEDFEMRX-HNNXBMFYSA-N 0 0 319.404 4.268 50 0 DIAARN CCCCN(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000012932578 563855896 /nfs/dbraw/zinc/85/58/96/563855896.db2.gz PRCQPLMPAZOZSH-UHFFFAOYSA-N 0 0 308.381 4.367 50 0 DIAARN O=C(NCCc1ccc(-c2ccsc2)s1)[C@H]1CC=CCC1 ZINC000575414086 563856119 /nfs/dbraw/zinc/85/61/19/563856119.db2.gz RCUUGWRRGPTCQM-ZDUSSCGKSA-N 0 0 317.479 4.492 50 0 DIAARN COc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1 ZINC000075077098 563858478 /nfs/dbraw/zinc/85/84/78/563858478.db2.gz LTQOMLWTINRGQV-UHFFFAOYSA-N 0 0 312.394 4.101 50 0 DIAARN CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000016148084 563858989 /nfs/dbraw/zinc/85/89/89/563858989.db2.gz LJFVACVDDUHNBB-LBPRGKRZSA-N 0 0 307.390 4.140 50 0 DIAARN CC[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccco2)o1 ZINC000075093984 563859372 /nfs/dbraw/zinc/85/93/72/563859372.db2.gz VEMFJKBJYZNSKJ-AWEZNQCLSA-N 0 0 309.369 4.061 50 0 DIAARN c1cn(Cc2ccccc2)c(CN(CC2CC2)c2ccccc2)n1 ZINC000075108141 563859578 /nfs/dbraw/zinc/85/95/78/563859578.db2.gz PAJYXSFBYAYPEW-UHFFFAOYSA-N 0 0 317.436 4.348 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N1CC[C@H]1c1ccccc1F ZINC000075103801 563859666 /nfs/dbraw/zinc/85/96/66/563859666.db2.gz HFKVPPANJGIGKR-HNNXBMFYSA-N 0 0 304.752 4.458 50 0 DIAARN CCC1(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)CCC1 ZINC000075107011 563859883 /nfs/dbraw/zinc/85/98/83/563859883.db2.gz KKXGUFAGIFCDFK-UHFFFAOYSA-N 0 0 315.457 4.254 50 0 DIAARN CCc1ccsc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 ZINC000075110334 563860493 /nfs/dbraw/zinc/86/04/93/563860493.db2.gz CECXZHVJNFPSLM-QWHCGFSZSA-N 0 0 305.468 4.100 50 0 DIAARN O=C([C@@H]1CC=CCC1)N(CCc1cccs1)Cc1ccco1 ZINC000075170183 563861372 /nfs/dbraw/zinc/86/13/72/563861372.db2.gz ANJKABDHWFBFIP-OAHLLOKOSA-N 0 0 315.438 4.269 50 0 DIAARN CC(C)CN1CS[C@H](COc2cccc3ccccc32)C1 ZINC000075262213 563862250 /nfs/dbraw/zinc/86/22/50/563862250.db2.gz WSRJRSMMIAOBRH-INIZCTEOSA-N 0 0 301.455 4.250 50 0 DIAARN O[C@@H]1CC(c2ccccc2)(c2ccccc2)Oc2ccccc21 ZINC000075279477 563862764 /nfs/dbraw/zinc/86/27/64/563862764.db2.gz QAHWTLOQOKCNHU-LJQANCHMSA-N 0 0 302.373 4.446 50 0 DIAARN Cc1cccc(N[P@@](=O)(Oc2ccccc2)c2ccccc2)n1 ZINC000075287191 563863106 /nfs/dbraw/zinc/86/31/06/563863106.db2.gz AZZTWNXEEPQLQK-QHCPKHFHSA-N 0 0 324.320 4.400 50 0 DIAARN Cc1csc(-c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)n1 ZINC000075291899 563863574 /nfs/dbraw/zinc/86/35/74/563863574.db2.gz CYLCTUWRYSWWFB-GXTWGEPZSA-N 0 0 314.454 4.379 50 0 DIAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccco3)sc2C1 ZINC000075296624 563863706 /nfs/dbraw/zinc/86/37/06/563863706.db2.gz NMYHBNVYFHGPFI-JTQLQIEISA-N 0 0 304.415 4.139 50 0 DIAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1ccc[nH]1 ZINC000089565617 563863727 /nfs/dbraw/zinc/86/37/27/563863727.db2.gz GOHLXSYEEAEIFH-SNVBAGLBSA-N 0 0 311.212 4.084 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000007559293 563864230 /nfs/dbraw/zinc/86/42/30/563864230.db2.gz OWVJJGURXHUIBW-NXEZZACHSA-N 0 0 300.830 4.154 50 0 DIAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]C[C@@H](C)c1ccccc1 ZINC000075352939 563864294 /nfs/dbraw/zinc/86/42/94/563864294.db2.gz YBSCRHBVDRDCFZ-CQSZACIVSA-N 0 0 322.408 4.068 50 0 DIAARN CCOC(=O)n1nccc1-c1ccc(-c2cccs2)s1 ZINC000000108975 563865830 /nfs/dbraw/zinc/86/58/30/563865830.db2.gz WBFUVUDCKDVQBV-UHFFFAOYSA-N 0 0 304.396 4.345 50 0 DIAARN Cc1nc2cc(NC(=O)Nc3ccccc3Cl)ccc2o1 ZINC000000800757 563866286 /nfs/dbraw/zinc/86/62/86/563866286.db2.gz OAUVFSHBZNOBRI-UHFFFAOYSA-N 0 0 301.733 4.434 50 0 DIAARN Cc1nn(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 ZINC000035422245 563867131 /nfs/dbraw/zinc/86/71/31/563867131.db2.gz QFBYCSLFGNRCEY-UHFFFAOYSA-N 0 0 303.724 4.217 50 0 DIAARN CCCn1cnc2cc(-c3noc(-c4cccs4)n3)ccc21 ZINC000035453609 563867921 /nfs/dbraw/zinc/86/79/21/563867921.db2.gz LUJKSZFFQDQOHZ-UHFFFAOYSA-N 0 0 310.382 4.225 50 0 DIAARN C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccoc1 ZINC000575620395 563868173 /nfs/dbraw/zinc/86/81/73/563868173.db2.gz KHRYCZQTYUGDCW-YBJDMEARSA-N 0 0 311.406 4.255 50 0 DIAARN Clc1cccc(-c2cc(-c3nc(-c4ccccc4)no3)n[nH]2)c1 ZINC000035504149 563871013 /nfs/dbraw/zinc/87/10/13/563871013.db2.gz OLBYMYGMJVSLGM-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN CC/C(=C/C=C1/N(C)c2ccccc2C1(C)C)N=C(C#N)C#N ZINC000006708648 563871580 /nfs/dbraw/zinc/87/15/80/563871580.db2.gz NIRXHKZPLGVGGJ-FJYMYNMMSA-N 0 0 304.397 4.080 50 0 DIAARN CCc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000075437286 563871651 /nfs/dbraw/zinc/87/16/51/563871651.db2.gz VUBWQAVBZSOYDN-UHFFFAOYSA-N 0 0 317.392 4.267 50 0 DIAARN Cc1[nH]c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2c1C ZINC000012982523 563872966 /nfs/dbraw/zinc/87/29/66/563872966.db2.gz GDNCSYSFSRSTOP-ZDUSSCGKSA-N 0 0 306.409 4.318 50 0 DIAARN CC(C)[C@@H](C(=O)Nc1ccncc1F)c1cccc(Cl)c1 ZINC000122872224 563872982 /nfs/dbraw/zinc/87/29/82/563872982.db2.gz HNRHWVWABQVXDA-OAHLLOKOSA-N 0 0 306.768 4.252 50 0 DIAARN Cc1cc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c(C)n1C1CC1 ZINC000191447548 563873913 /nfs/dbraw/zinc/87/39/13/563873913.db2.gz VESQFSSRRQNOBY-GOSISDBHSA-N 0 0 324.424 4.002 50 0 DIAARN COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000035671899 563874196 /nfs/dbraw/zinc/87/41/96/563874196.db2.gz LBJWACVGLPZZHJ-UHFFFAOYSA-N 0 0 300.745 4.374 50 0 DIAARN C[C@@H](CCc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000013003844 563875042 /nfs/dbraw/zinc/87/50/42/563875042.db2.gz YRAYWYHAAAABEX-NSHDSACASA-N 0 0 311.303 4.050 50 0 DIAARN CCOc1cc2c(cc1NC(=O)c1sccc1C)O[C@H](C)C2 ZINC000013003574 563875134 /nfs/dbraw/zinc/87/51/34/563875134.db2.gz HOKQUTBRWISTHW-LLVKDONJSA-N 0 0 317.410 4.031 50 0 DIAARN CN(C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000013010965 563875714 /nfs/dbraw/zinc/87/57/14/563875714.db2.gz FTDIGGYFYSKOSU-UHFFFAOYSA-N 0 0 317.392 4.026 50 0 DIAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)o1 ZINC000013012044 563876117 /nfs/dbraw/zinc/87/61/17/563876117.db2.gz IQDDQKPDJLRBCF-UHFFFAOYSA-N 0 0 310.787 4.370 50 0 DIAARN COC(=O)[C@@H]1CC(/C=C\c2ccccc2)=N[C@H]1c1ccccc1 ZINC000252623751 563877164 /nfs/dbraw/zinc/87/71/64/563877164.db2.gz OYLFMTAITWQLSG-TWEKRZAHSA-N 0 0 305.377 4.075 50 0 DIAARN C[C@H](NC(=O)c1ccc(-c2cccs2)nc1)c1ccccc1 ZINC000075502200 563877271 /nfs/dbraw/zinc/87/72/71/563877271.db2.gz LMXHPECANKYDAD-ZDUSSCGKSA-N 0 0 308.406 4.301 50 0 DIAARN CCN(C(=S)NCc1ccco1)c1cccc2ccccc21 ZINC000002622190 563877693 /nfs/dbraw/zinc/87/76/93/563877693.db2.gz JFZURFVCQQFULY-UHFFFAOYSA-N 0 0 310.422 4.334 50 0 DIAARN COC(=O)c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@@H]32)cc1 ZINC000035360489 563878067 /nfs/dbraw/zinc/87/80/67/563878067.db2.gz RNBMFXMGWVLBEV-MNEFBYGVSA-N 0 0 323.392 4.026 50 0 DIAARN CCC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000241588429 563880828 /nfs/dbraw/zinc/88/08/28/563880828.db2.gz PDCMQJCRBWHSHZ-SLFFLAALSA-N 0 0 320.436 4.111 50 0 DIAARN C[C@H]1CCN(C(=O)Nc2cccnc2Cl)[C@@H](c2ccco2)C1 ZINC000075546540 563881627 /nfs/dbraw/zinc/88/16/27/563881627.db2.gz XPFJCFNCRZMIPY-WCQYABFASA-N 0 0 319.792 4.333 50 0 DIAARN CCCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 ZINC000001875035 563882883 /nfs/dbraw/zinc/88/28/83/563882883.db2.gz IFXSWZPWTFRKBS-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN O=C(Nc1ccc(Br)cc1)[C@H]1[C@@H]2CCC=CCC[C@@H]21 ZINC000247740914 563883350 /nfs/dbraw/zinc/88/33/50/563883350.db2.gz NVXYQEIQUDSTGK-FICVDOATSA-N 0 0 320.230 4.380 50 0 DIAARN COc1ccccc1NC(=O)CCCOc1ccc(C)cc1C ZINC000001913903 563885551 /nfs/dbraw/zinc/88/55/51/563885551.db2.gz ATGQVZBAOFJUAT-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN Cc1cccc2c1OCCC2=NNc1ccc2ccccc2n1 ZINC000252474456 563885773 /nfs/dbraw/zinc/88/57/73/563885773.db2.gz FIBVZEIFKNDZOV-UHFFFAOYSA-N 0 0 303.365 4.142 50 0 DIAARN O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccccc1 ZINC000001972437 563886620 /nfs/dbraw/zinc/88/66/20/563886620.db2.gz BZEAVYMPEGEFBF-UHFFFAOYSA-N 0 0 316.356 4.275 50 0 DIAARN CCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)ccc12 ZINC000000457424 563887274 /nfs/dbraw/zinc/88/72/74/563887274.db2.gz DFPSMDUGIIGOGD-UHFFFAOYSA-N 0 0 324.376 4.333 50 0 biogenic DIAARN CO[C@@H](c1nnc(COc2cc(C)ccc2C)o1)c1ccccc1 ZINC000521393803 563887727 /nfs/dbraw/zinc/88/77/27/563887727.db2.gz JCISCXXEOOQKCA-GOSISDBHSA-N 0 0 324.380 4.001 50 0 DIAARN C[C@@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1ccccn1 ZINC000075722795 563888402 /nfs/dbraw/zinc/88/84/02/563888402.db2.gz BCWLEJSIDXTYMB-OAHLLOKOSA-N 0 0 322.452 4.288 50 0 DIAARN O=C(CCCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000012297080 563888514 /nfs/dbraw/zinc/88/85/14/563888514.db2.gz WFUVHONVLUDNQD-UHFFFAOYSA-N 0 0 318.420 4.076 50 0 biogenic DIAARN C[C@H]1CCc2sc(C(=O)N3CCCc4ccccc43)cc2C1 ZINC000006510678 563889503 /nfs/dbraw/zinc/88/95/03/563889503.db2.gz DRTVQGWWIXLFMT-ZDUSSCGKSA-N 0 0 311.450 4.466 50 0 DIAARN C/C=C\Cn1c(C(=O)NCCCC)cc2c1cccc2OCC ZINC000035927901 563890303 /nfs/dbraw/zinc/89/03/03/563890303.db2.gz GQJKBDMYQNYLLO-YVMONPNESA-N 0 0 314.429 4.146 50 0 DIAARN CCc1ccccc1NC(=S)Nc1nc2c(s1)CCCC2 ZINC000006568487 563890558 /nfs/dbraw/zinc/89/05/58/563890558.db2.gz SKQIIZUEMYJJAD-UHFFFAOYSA-N 0 0 317.483 4.393 50 0 DIAARN Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)cc(C)n1 ZINC000089587393 563891181 /nfs/dbraw/zinc/89/11/81/563891181.db2.gz LAJZPHHRDCKEHO-UHFFFAOYSA-N 0 0 320.845 4.224 50 0 DIAARN CCn1cnc2ccc(-c3noc(-c4ccc(C)cc4)n3)cc21 ZINC000064759524 563893704 /nfs/dbraw/zinc/89/37/04/563893704.db2.gz JCUYJVKBQINUDQ-UHFFFAOYSA-N 0 0 304.353 4.082 50 0 DIAARN Cc1ccccc1NC(=O)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818525 563894453 /nfs/dbraw/zinc/89/44/53/563894453.db2.gz NGVNNNNIMUOUST-UHFFFAOYSA-N 0 0 320.396 4.107 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC000036315791 563894947 /nfs/dbraw/zinc/89/49/47/563894947.db2.gz PUGFSVVGPHDSSY-LJQANCHMSA-N 0 0 324.424 4.208 50 0 DIAARN COCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000006822766 563895316 /nfs/dbraw/zinc/89/53/16/563895316.db2.gz KVVMZPMDLIAZCB-UHFFFAOYSA-N 0 0 324.424 4.076 50 0 DIAARN CC(C)c1nc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2o1 ZINC000064968297 563895614 /nfs/dbraw/zinc/89/56/14/563895614.db2.gz PMVZVFFXLMNPQG-CQSZACIVSA-N 0 0 322.408 4.485 50 0 DIAARN CCNC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000036349071 563895769 /nfs/dbraw/zinc/89/57/69/563895769.db2.gz AZOFPWFMIUFOII-UHFFFAOYSA-N 0 0 318.376 4.291 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)CCO2 ZINC000006842559 563896369 /nfs/dbraw/zinc/89/63/69/563896369.db2.gz MZPGEBUJUMRYNX-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN O=C1C[C@@H](c2cccs2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036354977 563896400 /nfs/dbraw/zinc/89/64/00/563896400.db2.gz PPHVUJRKOSHAJZ-LBPRGKRZSA-N 0 0 313.357 4.197 50 0 DIAARN COc1ccc2oc(C(=O)N[C@@H](C)c3cccs3)c(C)c2c1 ZINC000006849343 563897005 /nfs/dbraw/zinc/89/70/05/563897005.db2.gz WLAIRIAHCOOOGL-NSHDSACASA-N 0 0 315.394 4.302 50 0 DIAARN Cc1csc(S[C@@H](C)c2nnc(-c3cccs3)o2)n1 ZINC000006847091 563897180 /nfs/dbraw/zinc/89/71/80/563897180.db2.gz PHIIWGILAAYXOI-QMMMGPOBSA-N 0 0 309.441 4.416 50 0 DIAARN CC[C@H]1CN(C(=O)Nc2ccccc2F)c2ccccc2O1 ZINC000006845334 563897193 /nfs/dbraw/zinc/89/71/93/563897193.db2.gz HOJOQAPUMCDXAJ-LBPRGKRZSA-N 0 0 300.333 4.035 50 0 DIAARN Cc1ccc(Cn2c(=O)cc(C)nc2-c2ccc(Cl)cc2)cc1 ZINC000169752795 563897483 /nfs/dbraw/zinc/89/74/83/563897483.db2.gz GVOOIKLHXWCPKP-UHFFFAOYSA-N 0 0 324.811 4.229 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000036387088 563897557 /nfs/dbraw/zinc/89/75/57/563897557.db2.gz GDCGIJPZHXBFGC-DVOMOZLQSA-N 0 0 312.413 4.205 50 0 DIAARN Cc1ccc(NC(=O)N2CCSc3ccccc32)cc1F ZINC000006876872 563897631 /nfs/dbraw/zinc/89/76/31/563897631.db2.gz OFHMXLDZXKQWOW-UHFFFAOYSA-N 0 0 302.374 4.278 50 0 DIAARN COc1cccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)c1 ZINC000006876885 563897841 /nfs/dbraw/zinc/89/78/41/563897841.db2.gz OCVRYRDOUXKLFD-GFCCVEGCSA-N 0 0 314.410 4.228 50 0 DIAARN Cc1cc(OC(=O)c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000006880714 563898259 /nfs/dbraw/zinc/89/82/59/563898259.db2.gz YYEAETGSKBWQIF-UHFFFAOYSA-N 0 0 312.756 4.053 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000036393420 563898457 /nfs/dbraw/zinc/89/84/57/563898457.db2.gz PGDQRLNFFIHMKQ-CHWSQXEVSA-N 0 0 318.367 4.395 50 0 DIAARN CCn1c(C)c(C)c2cc(C(=O)NCc3cccs3)ccc21 ZINC000006912579 563899258 /nfs/dbraw/zinc/89/92/58/563899258.db2.gz YSUAXHRAGAAUCB-UHFFFAOYSA-N 0 0 312.438 4.270 50 0 DIAARN N=c1oc2ccc(Cl)cc2cc1C(=O)NC1CCCCCC1 ZINC000006926753 563899749 /nfs/dbraw/zinc/89/97/49/563899749.db2.gz BBOAMJJIXAVZBR-UHFFFAOYSA-N 0 0 318.804 4.018 50 0 DIAARN c1ccc2c3nc(CC45CC6CC(CC(C6)C4)C5)nn3cnc2c1 ZINC000006941947 563900060 /nfs/dbraw/zinc/90/00/60/563900060.db2.gz LXIQDDBVAZZIGG-UHFFFAOYSA-N 0 0 318.424 4.036 50 0 DIAARN Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000006945769 563900177 /nfs/dbraw/zinc/90/01/77/563900177.db2.gz WEQHUQOERGLACU-UHFFFAOYSA-N 0 0 306.409 4.115 50 0 DIAARN CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 ZINC000006982096 563900938 /nfs/dbraw/zinc/90/09/38/563900938.db2.gz YJMFNWWMPNXCIT-UGSOOPFHSA-N 0 0 311.381 4.472 50 0 DIAARN CCc1ccccc1N(CC)C(=O)c1noc2c1CCCCC2 ZINC000007000080 563900969 /nfs/dbraw/zinc/90/09/69/563900969.db2.gz VODVDFSRWAZXCT-UHFFFAOYSA-N 0 0 312.413 4.173 50 0 DIAARN CCCn1cc(C(=O)Nc2ccc(F)cc2C)c2cccnc21 ZINC000065216795 563901051 /nfs/dbraw/zinc/90/10/51/563901051.db2.gz CLSNXVPNTDNRSE-UHFFFAOYSA-N 0 0 311.360 4.146 50 0 DIAARN CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1 ZINC000013127403 563901595 /nfs/dbraw/zinc/90/15/95/563901595.db2.gz HNBSTAVYEBXTIE-UHFFFAOYSA-N 0 0 324.380 4.165 50 0 DIAARN O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1ccccc1F ZINC000036619737 563901667 /nfs/dbraw/zinc/90/16/67/563901667.db2.gz SASHFOGNHZHHLL-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(c1cc2cn(C3CC3)cc2s1)N1CCc2ccccc2C1 ZINC000065285716 563902375 /nfs/dbraw/zinc/90/23/75/563902375.db2.gz MVISXXJCKIEDES-UHFFFAOYSA-N 0 0 322.433 4.236 50 0 DIAARN CC(C)c1noc([C@@H]2CCCCN2Cc2cccc(F)c2)n1 ZINC000065286157 563902432 /nfs/dbraw/zinc/90/24/32/563902432.db2.gz YULMFGQXTGVNHF-HNNXBMFYSA-N 0 0 303.381 4.059 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000036661927 563902597 /nfs/dbraw/zinc/90/25/97/563902597.db2.gz SZWQSFJMTVMDNI-OAHLLOKOSA-N 0 0 320.314 4.078 50 0 DIAARN Cc1oc(C2CCC2)nc1C(=O)Nc1cccc2c1CCCC2 ZINC000065293533 563902626 /nfs/dbraw/zinc/90/26/26/563902626.db2.gz UPTIQMPRVMOROX-UHFFFAOYSA-N 0 0 310.397 4.382 50 0 DIAARN O=C(NCc1cccc2ccccc21)N1CCC(=C2CC2)CC1 ZINC000238817195 563903404 /nfs/dbraw/zinc/90/34/04/563903404.db2.gz BTFPORMIJFYGDM-UHFFFAOYSA-N 0 0 306.409 4.236 50 0 DIAARN CCOc1ccccc1CCC(=O)Nc1ccc(C)c(F)c1 ZINC000007136288 563903647 /nfs/dbraw/zinc/90/36/47/563903647.db2.gz QTSVWVMLFLUHRH-UHFFFAOYSA-N 0 0 301.361 4.104 50 0 DIAARN CC(C)C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000007185606 563904267 /nfs/dbraw/zinc/90/42/67/563904267.db2.gz JSJCFRKXVYARQW-IBGZPJMESA-N 0 0 310.441 4.270 50 0 DIAARN CCc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000007242261 563904572 /nfs/dbraw/zinc/90/45/72/563904572.db2.gz RDQJQBFYYUNGQW-CQSZACIVSA-N 0 0 308.425 4.177 50 0 DIAARN COc1ccc(C)cc1NC(=O)CS[C@@H](C)c1ccccc1 ZINC000007211307 563904683 /nfs/dbraw/zinc/90/46/83/563904683.db2.gz VMTKCLMHAQJQDP-AWEZNQCLSA-N 0 0 315.438 4.437 50 0 DIAARN CC(C)n1c(SCCc2ccccc2)nc2ccccc2c1=O ZINC000007236838 563904815 /nfs/dbraw/zinc/90/48/15/563904815.db2.gz HFMYQDKLBARPBD-UHFFFAOYSA-N 0 0 324.449 4.312 50 0 DIAARN Cc1ccc(C)c(C(=O)NCCSCc2cccs2)c1 ZINC000007271426 563904833 /nfs/dbraw/zinc/90/48/33/563904833.db2.gz GMYAAAJYILHMQZ-UHFFFAOYSA-N 0 0 305.468 4.028 50 0 DIAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 ZINC000007235669 563904965 /nfs/dbraw/zinc/90/49/65/563904965.db2.gz HRKKAQCQOMNXCC-GFCCVEGCSA-N 0 0 313.401 4.475 50 0 DIAARN Cc1sc(NC2CC2)nc1-c1ccc(NC(=O)C(C)C)cc1 ZINC000007274844 563905137 /nfs/dbraw/zinc/90/51/37/563905137.db2.gz DLJSDTUYSUTDQJ-UHFFFAOYSA-N 0 0 315.442 4.287 50 0 DIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCCC1 ZINC000007378141 563905322 /nfs/dbraw/zinc/90/53/22/563905322.db2.gz PMFNDIBNANTDJI-LLVKDONJSA-N 0 0 315.244 4.196 50 0 DIAARN O=C1CCc2cc(NCc3cccc(Cl)c3Cl)ccc2N1 ZINC000037123707 563906065 /nfs/dbraw/zinc/90/60/65/563906065.db2.gz AFVXQLNTLJNXOE-UHFFFAOYSA-N 0 0 321.207 4.490 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 ZINC000007407101 563906104 /nfs/dbraw/zinc/90/61/04/563906104.db2.gz ZIBCHGCZUWSRNX-UHFFFAOYSA-N 0 0 311.715 4.123 50 0 DIAARN C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1ccc(F)c(F)c1 ZINC000170592761 563906519 /nfs/dbraw/zinc/90/65/19/563906519.db2.gz BJBGLRNQBFQGKR-WIUDPPPLSA-N 0 0 309.381 4.016 50 0 DIAARN C[C@H](Nc1cccc(C[S@](C)=O)c1)c1ccc(F)cc1F ZINC000170592781 563906628 /nfs/dbraw/zinc/90/66/28/563906628.db2.gz AMWIJYVHPIIGFY-MQJDWESPSA-N 0 0 309.381 4.016 50 0 DIAARN COc1cccc2c1N(C(=O)Cc1ccc(C)s1)CC[C@@H]2C ZINC000170596889 563906988 /nfs/dbraw/zinc/90/69/88/563906988.db2.gz VGGMQWQJIDOVAQ-LBPRGKRZSA-N 0 0 315.438 4.148 50 0 DIAARN Fc1ccc(CCNc2ncnc3cc(Cl)ccc32)cc1 ZINC000170596797 563906990 /nfs/dbraw/zinc/90/69/90/563906990.db2.gz RCUHMMDDBJNUCX-UHFFFAOYSA-N 0 0 301.752 4.077 50 0 DIAARN CCN1c2ccc(N[C@@H](C)C3CCCCC3)cc2CCC1=O ZINC000170595350 563907101 /nfs/dbraw/zinc/90/71/01/563907101.db2.gz WAFPPZZXJRJHFX-AWEZNQCLSA-N 0 0 300.446 4.366 50 0 DIAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)o2)c(C)c1 ZINC000007510311 563907341 /nfs/dbraw/zinc/90/73/41/563907341.db2.gz GLJGYDCCUVEYQM-UHFFFAOYSA-N 0 0 321.380 4.223 50 0 DIAARN C[C@H](NC(=O)c1cc2sccc2[nH]1)c1cc2ccccc2o1 ZINC000170610209 563907822 /nfs/dbraw/zinc/90/78/22/563907822.db2.gz OIFDUOAGOJZRKR-JTQLQIEISA-N 0 0 310.378 4.467 50 0 DIAARN C[C@H](SC1=N[C@H](C)CS1)c1noc(-c2ccccc2)n1 ZINC000170615497 563908465 /nfs/dbraw/zinc/90/84/65/563908465.db2.gz PWZSZEQQVAXZIW-ZJUUUORDSA-N 0 0 305.428 4.022 50 0 DIAARN CC(C)(C)c1nnc(NCc2cnc(-c3ccco3)s2)s1 ZINC000170615810 563908498 /nfs/dbraw/zinc/90/84/98/563908498.db2.gz HLINLLYPKJHOKR-UHFFFAOYSA-N 0 0 320.443 4.164 50 0 DIAARN CC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000007547638 563908588 /nfs/dbraw/zinc/90/85/88/563908588.db2.gz CTTJIBHXEKHLJS-GOSISDBHSA-N 0 0 324.424 4.176 50 0 DIAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1Cl ZINC000170620053 563908685 /nfs/dbraw/zinc/90/86/85/563908685.db2.gz YYXOFAGDXLMYPM-AWEZNQCLSA-N 0 0 322.792 4.238 50 0 DIAARN Cc1nc(Cl)cc(N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000170626383 563908785 /nfs/dbraw/zinc/90/87/85/563908785.db2.gz CITVBCWFBJMKST-HZMBPMFUSA-N 0 0 317.820 4.324 50 0 DIAARN CC(C)Oc1cc(C(=O)NCc2cccs2)cc2occc21 ZINC000071195349 563909076 /nfs/dbraw/zinc/90/90/76/563909076.db2.gz KYEATPMYSFFGBS-UHFFFAOYSA-N 0 0 315.394 4.212 50 0 DIAARN O=C(CCc1nc2ccccc2s1)Nc1ccc2cc[nH]c2c1 ZINC000071284036 563909102 /nfs/dbraw/zinc/90/91/02/563909102.db2.gz VSEIOCSTYPBQHR-UHFFFAOYSA-N 0 0 321.405 4.349 50 0 DIAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000071283050 563909146 /nfs/dbraw/zinc/90/91/46/563909146.db2.gz AQIVRYKHIGBKIE-CQSZACIVSA-N 0 0 317.414 4.064 50 0 DIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(F)cc2F)S1 ZINC000071287249 563909249 /nfs/dbraw/zinc/90/92/49/563909249.db2.gz IUWPDRYFJGQNOT-ZDUSSCGKSA-N 0 0 323.368 4.334 50 0 DIAARN COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1 ZINC000071288073 563909257 /nfs/dbraw/zinc/90/92/57/563909257.db2.gz WPAAMJZVTAQTJU-CQSZACIVSA-N 0 0 317.414 4.064 50 0 DIAARN O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000010216918 563909269 /nfs/dbraw/zinc/90/92/69/563909269.db2.gz NHTWPHUTAKFJDR-DZGCQCFKSA-N 0 0 312.438 4.316 50 0 DIAARN CSc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1 ZINC000013320054 563909433 /nfs/dbraw/zinc/90/94/33/563909433.db2.gz BQVMAOOLYJZZII-UHFFFAOYSA-N 0 0 306.818 4.384 50 0 DIAARN CSc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 ZINC000013320119 563909505 /nfs/dbraw/zinc/90/95/05/563909505.db2.gz VUVJVPHSOIFMOD-UHFFFAOYSA-N 0 0 306.818 4.384 50 0 DIAARN COc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000013744583 563909856 /nfs/dbraw/zinc/90/98/56/563909856.db2.gz ZKVXJOGFGIMNIM-SECBINFHSA-N 0 0 310.806 4.293 50 0 DIAARN CC[C@@H](C)NC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000013745684 563910104 /nfs/dbraw/zinc/91/01/04/563910104.db2.gz POBMGQQOWXHKHG-MRXNPFEDSA-N 0 0 310.441 4.306 50 0 DIAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000014255334 563910448 /nfs/dbraw/zinc/91/04/48/563910448.db2.gz JWPSPELUUWCDKR-UHFFFAOYSA-N 0 0 303.427 4.057 50 0 DIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000014396621 563910617 /nfs/dbraw/zinc/91/06/17/563910617.db2.gz WTZUPWMNXKKAMF-HNNXBMFYSA-N 0 0 303.446 4.010 50 0 DIAARN CC(C)NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000014351274 563910632 /nfs/dbraw/zinc/91/06/32/563910632.db2.gz SCBOYLRAORLAHO-UHFFFAOYSA-N 0 0 309.837 4.291 50 0 DIAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2ccccc21 ZINC000014423504 563910633 /nfs/dbraw/zinc/91/06/33/563910633.db2.gz KEITUUWNXUYECM-UHFFFAOYSA-N 0 0 316.404 4.445 50 0 DIAARN Cc1ccc([C@@H](NC(=O)c2ccncc2)c2ccccc2)cc1C ZINC000014596875 563910635 /nfs/dbraw/zinc/91/06/35/563910635.db2.gz BRVZMYZOOVYYLR-FQEVSTJZSA-N 0 0 316.404 4.218 50 0 DIAARN Cc1cc(CN(C)C(=O)Nc2ccccc2SC(C)C)no1 ZINC000089604728 563910797 /nfs/dbraw/zinc/91/07/97/563910797.db2.gz YRSVAJYTWXCPDZ-UHFFFAOYSA-N 0 0 319.430 4.147 50 0 DIAARN CCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000016837542 563911300 /nfs/dbraw/zinc/91/13/00/563911300.db2.gz CARALXRTDOYAIP-UHFFFAOYSA-N 0 0 322.408 4.018 50 0 DIAARN Fc1ccc(-n2cc(CNc3ccc(Cl)cc3)cn2)cc1 ZINC000089793156 563911317 /nfs/dbraw/zinc/91/13/17/563911317.db2.gz ZGGYRJSTFKHURF-UHFFFAOYSA-N 0 0 301.752 4.277 50 0 DIAARN O=C(Nc1c(F)cccc1NC1CC1)c1cccc(F)c1Cl ZINC000089768128 563911325 /nfs/dbraw/zinc/91/13/25/563911325.db2.gz BIFCIFYBVIWLCA-UHFFFAOYSA-N 0 0 322.742 4.445 50 0 DIAARN Fc1cc2ncnc(N3CCCC34CCCCC4)c2cc1F ZINC000089764952 563911362 /nfs/dbraw/zinc/91/13/62/563911362.db2.gz BAOCCZCCWXHLTC-UHFFFAOYSA-N 0 0 303.356 4.211 50 0 DIAARN OCCc1ccc(NCc2cc(Cl)cc3cccnc32)cc1 ZINC000089807824 563911523 /nfs/dbraw/zinc/91/15/23/563911523.db2.gz AVBQJLBXQACIQJ-UHFFFAOYSA-N 0 0 312.800 4.035 50 0 DIAARN Cc1csc(N(C(=O)c2cc3ccccc3s2)C2CC2)n1 ZINC000076019052 563911682 /nfs/dbraw/zinc/91/16/82/563911682.db2.gz XTBWJVFXWRSPJS-UHFFFAOYSA-N 0 0 314.435 4.475 50 0 DIAARN CC(C)c1nc(C[S@@](=O)[C@H](C)c2ccccc2F)cs1 ZINC000089893567 563911857 /nfs/dbraw/zinc/91/18/57/563911857.db2.gz JJYVPUISXUGVDJ-GIPWTMENSA-N 0 0 311.447 4.416 50 0 DIAARN CC[C@@H](Sc1nncn1C1CC1)C(=O)c1ccc(Cl)cc1 ZINC000089941921 563912294 /nfs/dbraw/zinc/91/22/94/563912294.db2.gz PTHAGIPPMHGOKS-CYBMUJFWSA-N 0 0 321.833 4.020 50 0 DIAARN C[C@H](N[C@@H](C)c1cnccn1)c1cc2cc(Cl)ccc2o1 ZINC000090034782 563912484 /nfs/dbraw/zinc/91/24/84/563912484.db2.gz ICAQPQIFCILBNM-QWRGUYRKSA-N 0 0 301.777 4.288 50 0 DIAARN COc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3O2)cc1OC ZINC000000057865 563912738 /nfs/dbraw/zinc/91/27/38/563912738.db2.gz VWGNKHPAHTYIRK-MRXNPFEDSA-N 0 0 318.756 4.064 50 0 biogenic,in-vitro DIAARN CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000002096049 563913845 /nfs/dbraw/zinc/91/38/45/563913845.db2.gz NGWRUZNJNSJOPC-UHFFFAOYSA-N 0 0 323.458 4.322 50 0 DIAARN CCn1c2ccccc2c2cc(I)ccc21 ZINC000003091310 563914058 /nfs/dbraw/zinc/91/40/58/563914058.db2.gz USSDZGUORVTLQJ-UHFFFAOYSA-N 0 0 321.161 4.419 50 0 DIAARN OC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 ZINC000001734038 563914084 /nfs/dbraw/zinc/91/40/84/563914084.db2.gz WXSPHAQGTGMKEX-UHFFFAOYSA-N 0 0 302.417 4.446 50 0 DIAARN CO[C@H](C)c1nc(CNc2c(F)cccc2Cl)cs1 ZINC000193104335 563914863 /nfs/dbraw/zinc/91/48/63/563914863.db2.gz KXFYCVKDCQEFIB-MRVPVSSYSA-N 0 0 300.786 4.255 50 0 DIAARN Clc1ccccc1CSc1ncn(-c2ccccc2)n1 ZINC000002124123 563914917 /nfs/dbraw/zinc/91/49/17/563914917.db2.gz ABZJAHBBPRXARJ-UHFFFAOYSA-N 0 0 301.802 4.213 50 0 DIAARN Cc1nc(-c2ccccc2NC(=O)/C=C/c2cccnc2)cs1 ZINC000208008942 563915273 /nfs/dbraw/zinc/91/52/73/563915273.db2.gz KMSSFUHNZPEPSO-CMDGGOBGSA-N 0 0 321.405 4.165 50 0 DIAARN Cc1ccc(C)c(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c1 ZINC000007595738 563915416 /nfs/dbraw/zinc/91/54/16/563915416.db2.gz UQAUGYFKAXQIMY-UHFFFAOYSA-N 0 0 321.380 4.223 50 0 DIAARN CCOC(=O)c1c(C)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000000390860 563915449 /nfs/dbraw/zinc/91/54/49/563915449.db2.gz WBZHEHMQHFEMCZ-UHFFFAOYSA-N 0 0 318.376 4.296 50 0 DIAARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccccc1F ZINC000007598931 563915625 /nfs/dbraw/zinc/91/56/25/563915625.db2.gz KHYBCZGFWAHIMU-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN NC(=O)[C@H](c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002173560 563915658 /nfs/dbraw/zinc/91/56/58/563915658.db2.gz CQNVIGGYUXKNSD-LEWJYISDSA-N 0 0 315.416 4.282 50 0 DIAARN O=C(CCc1ccsc1)OCc1ccc(Cl)nc1Cl ZINC000252478870 563915762 /nfs/dbraw/zinc/91/57/62/563915762.db2.gz AWLLUCKEPRXIFM-UHFFFAOYSA-N 0 0 316.209 4.126 50 0 DIAARN CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000013616508 563916457 /nfs/dbraw/zinc/91/64/57/563916457.db2.gz XBCWJYKTCSNDMA-QUCCMNQESA-N 0 0 322.408 4.365 50 0 DIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)Cc1ccsc1 ZINC000390828256 563916498 /nfs/dbraw/zinc/91/64/98/563916498.db2.gz APPHUSNGIPVFTB-CQSZACIVSA-N 0 0 311.516 4.203 50 0 DIAARN COc1ccccc1C(=O)N1CCCC[C@H]1CSC(C)(C)C ZINC000390829822 563916542 /nfs/dbraw/zinc/91/65/42/563916542.db2.gz GVLWSELVUNHVBW-AWEZNQCLSA-N 0 0 321.486 4.222 50 0 DIAARN Cc1cc(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)nn1C(C)(C)C ZINC000252527831 563916801 /nfs/dbraw/zinc/91/68/01/563916801.db2.gz DLQXCLMNAXKFAH-RDJZCZTQSA-N 0 0 317.477 4.131 50 0 DIAARN O=C(c1ccn(C2CCCC2)n1)N1CCCC[C@H]2CCCC[C@H]21 ZINC000252532866 563917005 /nfs/dbraw/zinc/91/70/05/563917005.db2.gz FJCCQXHUKZSPCI-CRAIPNDOSA-N 0 0 315.461 4.183 50 0 DIAARN O=C(c1csc(C2CC2)n1)N1CCCC[C@H]2CCCC[C@H]21 ZINC000252550173 563917080 /nfs/dbraw/zinc/91/70/80/563917080.db2.gz SDPHEUDZCFOGNL-IUODEOHRSA-N 0 0 304.459 4.205 50 0 DIAARN CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccc(Cl)s1 ZINC000225709028 563917101 /nfs/dbraw/zinc/91/71/01/563917101.db2.gz PPPAFYKDRCTSAD-LBPRGKRZSA-N 0 0 324.833 4.219 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Cl ZINC000007655717 563917711 /nfs/dbraw/zinc/91/77/11/563917711.db2.gz SFOVNPRJVRVFDY-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN Fc1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccncc1 ZINC000037522622 563918368 /nfs/dbraw/zinc/91/83/68/563918368.db2.gz HNAGMIDHKXGBID-HXUWFJFHSA-N 0 0 321.399 4.018 50 0 DIAARN COc1cc(-c2noc(C3CC3)n2)ccc1OCc1ccccc1 ZINC000037553622 563918755 /nfs/dbraw/zinc/91/87/55/563918755.db2.gz DUJQPFSLWDLORQ-UHFFFAOYSA-N 0 0 322.364 4.202 50 0 DIAARN Cc1ccc(Cl)cc1CN[C@@H](c1cccs1)c1ncc[nH]1 ZINC000195127629 563918938 /nfs/dbraw/zinc/91/89/38/563918938.db2.gz YQRZABJCJBXTQT-HNNXBMFYSA-N 0 0 317.845 4.312 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000007780020 563919101 /nfs/dbraw/zinc/91/91/01/563919101.db2.gz XGHZYELESTZGJQ-UHFFFAOYSA-N 0 0 308.255 4.127 50 0 DIAARN Cc1cc(C)c(NC(=O)C[N@@H+](C)C2CCCCC2)c(Cl)c1 ZINC000007786385 563919310 /nfs/dbraw/zinc/91/93/10/563919310.db2.gz PATPCMHRBYFIEJ-UHFFFAOYSA-N 0 0 308.853 4.160 50 0 DIAARN O=C(OC1CCCCCC1)c1csc(-c2ccccn2)n1 ZINC000066013737 563919354 /nfs/dbraw/zinc/91/93/54/563919354.db2.gz SIFAKECVPWGWIX-UHFFFAOYSA-N 0 0 302.399 4.085 50 0 DIAARN COc1ccc(C)cc1[C@@H](C)Nc1cccc(C[S@@](C)=O)c1 ZINC000195552453 563919623 /nfs/dbraw/zinc/91/96/23/563919623.db2.gz FFQMDSAUTCKVOO-JLCFBVMHSA-N 0 0 317.454 4.055 50 0 DIAARN CCCCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000002217408 563919633 /nfs/dbraw/zinc/91/96/33/563919633.db2.gz MNAYOPQIYGSSHU-UHFFFAOYSA-N 0 0 323.487 4.017 50 0 DIAARN C[S@](=O)c1cccc(N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000195553939 563919806 /nfs/dbraw/zinc/91/98/06/563919806.db2.gz DEOISGKJOUQSBW-XXBNENTESA-N 0 0 322.433 4.021 50 0 DIAARN C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccco1 ZINC000007908035 563920432 /nfs/dbraw/zinc/92/04/32/563920432.db2.gz JXSDMINIRFHOGW-CYBMUJFWSA-N 0 0 316.364 4.458 50 0 DIAARN CN(Cc1nc(-c2ccccc2)no1)Cc1ccc(Cl)cc1 ZINC000007916102 563920542 /nfs/dbraw/zinc/92/05/42/563920542.db2.gz DXPMRTKVMWRMOR-UHFFFAOYSA-N 0 0 313.788 4.022 50 0 DIAARN C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1F ZINC000007917850 563920550 /nfs/dbraw/zinc/92/05/50/563920550.db2.gz UFVSESNWSRMWFL-NSHDSACASA-N 0 0 317.389 4.130 50 0 DIAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCCC1 ZINC000007911298 563920567 /nfs/dbraw/zinc/92/05/67/563920567.db2.gz WDDXTTAIAHSQLJ-UHFFFAOYSA-N 0 0 318.420 4.321 50 0 DIAARN Cc1ccc(NC(=O)c2ccco2)c(C(=O)c2ccccc2)c1 ZINC000000381368 563920622 /nfs/dbraw/zinc/92/06/22/563920622.db2.gz OQWJUUPARBSODR-UHFFFAOYSA-N 0 0 305.333 4.071 50 0 DIAARN CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(Cl)cc1 ZINC000007915816 563920656 /nfs/dbraw/zinc/92/06/56/563920656.db2.gz FGAFQVKTKISTBV-UHFFFAOYSA-N 0 0 313.788 4.022 50 0 DIAARN Cc1c(NC(=O)C2CC2)cccc1-c1nc2cccnc2s1 ZINC000002961555 563920792 /nfs/dbraw/zinc/92/07/92/563920792.db2.gz RMRWXMKGQRXFHS-UHFFFAOYSA-N 0 0 309.394 4.015 50 0 DIAARN COC(=O)/C(=C(/F)Sc1ccc(O)c(C)c1C)C(F)(F)F ZINC000002256786 563920884 /nfs/dbraw/zinc/92/08/84/563920884.db2.gz ZQQCKVDYHXNEOT-ZHACJKMWSA-N 0 0 324.295 4.018 50 0 DIAARN COc1ccc(C)cc1NC(=O)CSc1ccc(F)cc1F ZINC000007921013 563920956 /nfs/dbraw/zinc/92/09/56/563920956.db2.gz SXWGCIRVDABQLW-UHFFFAOYSA-N 0 0 323.364 4.013 50 0 DIAARN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000035052375 563923945 /nfs/dbraw/zinc/92/39/45/563923945.db2.gz GCKMFJBGXUYNAG-JZCOGDJRSA-N 0 0 302.458 4.269 50 0 DIAARN C[C@H](Sc1nncs1)c1cccc(Br)c1 ZINC000154110248 563924815 /nfs/dbraw/zinc/92/48/15/563924815.db2.gz KFOAJBDWGKHCHY-ZETCQYMHSA-N 0 0 301.234 4.154 50 0 DIAARN CCOc1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC000002826217 563924838 /nfs/dbraw/zinc/92/48/38/563924838.db2.gz MBFFJNKAKNAVHG-UHFFFAOYSA-N 0 0 301.183 4.248 50 0 DIAARN Cc1occc1C(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000253416673 563925040 /nfs/dbraw/zinc/92/50/40/563925040.db2.gz CQMPLHMVEHTFOO-UHFFFAOYSA-N 0 0 322.364 4.007 50 0 DIAARN CC(=O)N1N=C(c2ccc(F)cc2Cl)C[C@H]1c1cccs1 ZINC000253428394 563925326 /nfs/dbraw/zinc/92/53/26/563925326.db2.gz PXJHVGFHVXTWPT-AWEZNQCLSA-N 0 0 322.792 4.238 50 0 DIAARN CCCCCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 ZINC000002317542 563925830 /nfs/dbraw/zinc/92/58/30/563925830.db2.gz RYKCARJZUCPERD-UHFFFAOYSA-N 0 0 322.408 4.127 50 0 DIAARN CCOP(=O)(Cc1ccc(C(C)(C)CC(C)=O)o1)OCC ZINC000002311285 563925850 /nfs/dbraw/zinc/92/58/50/563925850.db2.gz WWUGOXUXPNRBQI-UHFFFAOYSA-N 0 0 316.334 4.302 50 0 DIAARN COc1ccccc1-n1cnc2cc(NCc3ccco3)ccc21 ZINC000002327379 563926187 /nfs/dbraw/zinc/92/61/87/563926187.db2.gz RGGQATPNYAZVSI-UHFFFAOYSA-N 0 0 319.364 4.239 50 0 DIAARN CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000027818105 563928027 /nfs/dbraw/zinc/92/80/27/563928027.db2.gz NKTMUSDHBRJZNO-MRXNPFEDSA-N 0 0 319.326 4.465 50 0 DIAARN Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CC[C@H](C)C3 ZINC000002437546 563928560 /nfs/dbraw/zinc/92/85/60/563928560.db2.gz XAIIGIMHPADREU-VIFPVBQESA-N 0 0 324.409 4.032 50 0 DIAARN O=C(Nc1cccc(Cl)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000007944616 563928800 /nfs/dbraw/zinc/92/88/00/563928800.db2.gz MQYDXYFSCPRHHD-LLVKDONJSA-N 0 0 322.191 4.183 50 0 DIAARN O=C(OCc1cccnc1)C1c2ccccc2Oc2ccccc21 ZINC000007951707 563929232 /nfs/dbraw/zinc/92/92/32/563929232.db2.gz JQWFNNIQRMATMQ-UHFFFAOYSA-N 0 0 317.344 4.063 50 0 DIAARN c1nc(CN[C@H](COc2ccccc2)c2ccccc2)cs1 ZINC000078663130 563929630 /nfs/dbraw/zinc/92/96/30/563929630.db2.gz MBMWXUNAMSYSSO-GOSISDBHSA-N 0 0 310.422 4.053 50 0 DIAARN c1nc(CN[C@@H](COc2ccccc2)c2ccccc2)cs1 ZINC000078663136 563929701 /nfs/dbraw/zinc/92/97/01/563929701.db2.gz MBMWXUNAMSYSSO-SFHVURJKSA-N 0 0 310.422 4.053 50 0 DIAARN CC(C)N(C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000078612615 563929755 /nfs/dbraw/zinc/92/97/55/563929755.db2.gz WYEZFUOAOCMMOT-CABCVRRESA-N 0 0 313.363 4.454 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H]2CCCC[C@H]21 ZINC000079538496 563930483 /nfs/dbraw/zinc/93/04/83/563930483.db2.gz ONHANSWVRKTECF-ZWNOBZJWSA-N 0 0 315.310 4.249 50 0 DIAARN O=C(NCc1nc(C2CCCCC2)cs1)[C@H]1CC=CCC1 ZINC000390830865 563930761 /nfs/dbraw/zinc/93/07/61/563930761.db2.gz NYROFSJTMPIOMU-AWEZNQCLSA-N 0 0 304.459 4.163 50 0 DIAARN O=C(NCCCc1cc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000390831129 563930809 /nfs/dbraw/zinc/93/08/09/563930809.db2.gz PUMLGRAEZPZKBW-UHFFFAOYSA-N 0 0 315.319 4.074 50 0 DIAARN O=C(Cc1ccc(F)cc1)NC1(c2cccs2)CCCC1 ZINC000390828881 563930813 /nfs/dbraw/zinc/93/08/13/563930813.db2.gz VAYIRLRTTRLNPV-UHFFFAOYSA-N 0 0 303.402 4.015 50 0 DIAARN Cc1ccccc1[C@@H]1SCC(=O)Nc2ccc(Cl)cc21 ZINC000095836929 563931738 /nfs/dbraw/zinc/93/17/38/563931738.db2.gz PKPCOZWXZOXEEF-INIZCTEOSA-N 0 0 303.814 4.423 50 0 DIAARN CCc1ccccc1NC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000020985480 563931871 /nfs/dbraw/zinc/93/18/71/563931871.db2.gz CNCVQWNXYUIZDP-MRXNPFEDSA-N 0 0 321.424 4.270 50 0 DIAARN CCO[C@@]1(C)Nc2ccc(Br)cc2N1C(C)(C)C ZINC000095629695 563931872 /nfs/dbraw/zinc/93/18/72/563931872.db2.gz MAFRHHOYEOYANK-AWEZNQCLSA-N 0 0 313.239 4.190 50 0 DIAARN Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000095942306 563931911 /nfs/dbraw/zinc/93/19/11/563931911.db2.gz WCXUJDUXMGBZEZ-DOMZBBRYSA-N 0 0 313.401 4.350 50 0 DIAARN CCc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1C(C)C ZINC000021051616 563931986 /nfs/dbraw/zinc/93/19/86/563931986.db2.gz YKCIQBVFENDADC-SFHVURJKSA-N 0 0 311.429 4.295 50 0 DIAARN Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000095942305 563932025 /nfs/dbraw/zinc/93/20/25/563932025.db2.gz WCXUJDUXMGBZEZ-IUODEOHRSA-N 0 0 313.401 4.350 50 0 DIAARN CC(=O)c1csc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 ZINC000095951111 563932123 /nfs/dbraw/zinc/93/21/23/563932123.db2.gz OICHQSIEJDGPPX-GFCCVEGCSA-N 0 0 301.411 4.092 50 0 DIAARN CC(C)C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000095949717 563932208 /nfs/dbraw/zinc/93/22/08/563932208.db2.gz WZWHHZCLRSANTB-RDTXWAMCSA-N 0 0 323.440 4.294 50 0 DIAARN Cc1cc(C)n2cc(CNc3cc(Cl)ccc3Cl)nc2n1 ZINC000095952510 563932256 /nfs/dbraw/zinc/93/22/56/563932256.db2.gz JYKMUTLJZVQTAE-UHFFFAOYSA-N 0 0 321.211 4.265 50 0 DIAARN Cc1ccc([S@@](=O)Cc2csc(C(C)(C)C)n2)cc1C ZINC000095953340 563932319 /nfs/dbraw/zinc/93/23/19/563932319.db2.gz GADXMDWAPFFJCX-HXUWFJFHSA-N 0 0 307.484 4.365 50 0 DIAARN C[C@@H](C(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000095961556 563932609 /nfs/dbraw/zinc/93/26/09/563932609.db2.gz DVGUAYHSWVYBJY-RISCZKNCSA-N 0 0 305.830 4.479 50 0 DIAARN CC(=O)c1ccc(Cl)c(NC(=O)c2ccc3ncccc3c2)c1 ZINC000095966634 563932831 /nfs/dbraw/zinc/93/28/31/563932831.db2.gz OFPSSHGXSAKHMN-UHFFFAOYSA-N 0 0 324.767 4.343 50 0 DIAARN CC1(C)CCC(N[C@H](Cc2ccncc2)C(F)(F)F)CC1 ZINC000095968500 563933158 /nfs/dbraw/zinc/93/31/58/563933158.db2.gz XKIUDMVJMXZFNV-CQSZACIVSA-N 0 0 300.368 4.113 50 0 DIAARN COC[C@H](N[C@@H]1C[C@@H](C)Sc2ccccc21)c1ccco1 ZINC000095968847 563933299 /nfs/dbraw/zinc/93/32/99/563933299.db2.gz SYQUNUCFCQBUAN-YUELXQCFSA-N 0 0 303.427 4.182 50 0 DIAARN C[C@H](Nc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000095969389 563933383 /nfs/dbraw/zinc/93/33/83/563933383.db2.gz KRLYXEYVUZHCKM-HNNXBMFYSA-N 0 0 307.397 4.172 50 0 DIAARN CCc1cnc([C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968983 563933445 /nfs/dbraw/zinc/93/34/45/563933445.db2.gz OZBQXVAJJNGJFW-NWDGAFQWSA-N 0 0 317.458 4.076 50 0 DIAARN O=C1NCC[C@H]1S[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000095971775 563933559 /nfs/dbraw/zinc/93/35/59/563933559.db2.gz WGALHKDXVVZRPS-HZPDHXFCSA-N 0 0 317.841 4.051 50 0 DIAARN CC(=O)c1csc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)c1 ZINC000095973284 563933678 /nfs/dbraw/zinc/93/36/78/563933678.db2.gz ICDWDSFDQXDPQG-ZBEGNZNMSA-N 0 0 313.422 4.319 50 0 DIAARN CC(C)c1cccc(CSCC(=O)N2[C@H](C)CCC[C@H]2C)n1 ZINC000095980006 563933875 /nfs/dbraw/zinc/93/38/75/563933875.db2.gz BVRWMKWMKWINPY-HUUCEWRRSA-N 0 0 320.502 4.228 50 0 DIAARN CCc1cc(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)sc1C ZINC000095994003 563934477 /nfs/dbraw/zinc/93/44/77/563934477.db2.gz AYZFTYPXHHOUIC-HZPDHXFCSA-N 0 0 323.502 4.333 50 0 DIAARN Cc1nnc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000095984203 563934200 /nfs/dbraw/zinc/93/42/00/563934200.db2.gz OEGKGLDVTGVQEB-SSDOTTSWSA-N 0 0 302.230 4.004 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)o1 ZINC000007967683 563934646 /nfs/dbraw/zinc/93/46/46/563934646.db2.gz JIYYISSADPNSMM-UHFFFAOYSA-N 0 0 302.330 4.103 50 0 DIAARN CCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(C)c(C)c1 ZINC000096025075 563935008 /nfs/dbraw/zinc/93/50/08/563935008.db2.gz MBCNNOFLGFWTTQ-UHFFFAOYSA-N 0 0 322.412 4.005 50 0 DIAARN CCOC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N1CCCCC1 ZINC000096026454 563935101 /nfs/dbraw/zinc/93/51/01/563935101.db2.gz SHQMZNHTHCSZOE-FQEVSTJZSA-N 0 0 323.436 4.444 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)N(C)c3ccc(C)cc3)cc2)no1 ZINC000021353854 563935307 /nfs/dbraw/zinc/93/53/07/563935307.db2.gz BXBKRSUYRNJKIZ-UHFFFAOYSA-N 0 0 322.368 4.022 50 0 DIAARN CCCC[C@]1(CCNC(=O)c2ccco2)CCOC(C)(C)C1 ZINC000096114905 563935467 /nfs/dbraw/zinc/93/54/67/563935467.db2.gz JCLOCBITMZCKKK-SFHVURJKSA-N 0 0 307.434 4.165 50 0 biogenic DIAARN O=C(Cc1cccs1)NCc1ccccc1-c1ccsc1 ZINC000096122883 563935652 /nfs/dbraw/zinc/93/56/52/563935652.db2.gz BTJDESRARZGVAI-UHFFFAOYSA-N 0 0 313.447 4.336 50 0 DIAARN O=C(NCc1ccccc1-c1ccsc1)NC1CCCC1 ZINC000096122949 563935721 /nfs/dbraw/zinc/93/57/21/563935721.db2.gz INIKTFYFCKMHGU-UHFFFAOYSA-N 0 0 300.427 4.157 50 0 DIAARN CC(C)OC(=O)COc1ccc2occ(-c3ccco3)c2c1 ZINC000096221487 563935970 /nfs/dbraw/zinc/93/59/70/563935970.db2.gz ZSYURRHPLWKQJC-UHFFFAOYSA-N 0 0 300.310 4.023 50 0 biogenic DIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/C=C\c1ccco1 ZINC000096298103 563936358 /nfs/dbraw/zinc/93/63/58/563936358.db2.gz GABUVDOJNOGJCP-QJADPKFESA-N 0 0 324.767 4.143 50 0 DIAARN CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2)n1 ZINC000096346406 563936454 /nfs/dbraw/zinc/93/64/54/563936454.db2.gz XKPMXLBHXBADGQ-UHFFFAOYSA-N 0 0 307.353 4.112 50 0 DIAARN Cc1cc(=O)oc2c(C)c(O)c(-c3cc4ccccc4[nH]3)cc12 ZINC000096343739 563936505 /nfs/dbraw/zinc/93/65/05/563936505.db2.gz YJKYTZMTQLDWCK-UHFFFAOYSA-N 0 0 305.333 4.264 50 0 DIAARN O=[S@](Cc1coc(-c2ccc(F)cc2)n1)CC1CCCCC1 ZINC000096403876 563936711 /nfs/dbraw/zinc/93/67/11/563936711.db2.gz MDGWAJHLUKGEDK-JOCHJYFZSA-N 0 0 321.417 4.310 50 0 DIAARN O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000096410519 563936767 /nfs/dbraw/zinc/93/67/67/563936767.db2.gz SEJVVYVOLYCSMA-OALUTQOASA-N 0 0 321.424 4.178 50 0 DIAARN Cc1cc(NC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)no1 ZINC000096484846 563937376 /nfs/dbraw/zinc/93/73/76/563937376.db2.gz RCAWNUIYPBDRAG-NSHDSACASA-N 0 0 322.434 4.096 50 0 DIAARN Cc1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)c(C)o1 ZINC000097084912 563937835 /nfs/dbraw/zinc/93/78/35/563937835.db2.gz GDBWKNWSNWVZIL-HXUWFJFHSA-N 0 0 311.834 4.040 50 0 DIAARN Cc1cc(C)cc(OCCC(=O)Nc2cc(F)ccc2C)c1 ZINC000028193860 563938838 /nfs/dbraw/zinc/93/88/38/563938838.db2.gz ZDNVMFUFSVEYMJ-UHFFFAOYSA-N 0 0 301.361 4.159 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c(C)o1 ZINC000028221075 563938996 /nfs/dbraw/zinc/93/89/96/563938996.db2.gz BVQNYRFUFMFXJW-CQSZACIVSA-N 0 0 308.381 4.178 50 0 DIAARN Cn1c2ccccc2nc1NC(=O)c1c(Cl)cccc1Cl ZINC000028227386 563939026 /nfs/dbraw/zinc/93/90/26/563939026.db2.gz FGXFSLPKGGWDEC-UHFFFAOYSA-N 0 0 320.179 4.132 50 0 DIAARN COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000002625160 563939538 /nfs/dbraw/zinc/93/95/38/563939538.db2.gz KGZRGDNZZAFHOQ-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN Cc1cc(C)c(C(=O)COC(=O)c2cc(C)cc(C)c2)c(C)c1 ZINC000002629999 563939683 /nfs/dbraw/zinc/93/96/83/563939683.db2.gz PQPOBHZQRUYUBP-UHFFFAOYSA-N 0 0 310.393 4.268 50 0 DIAARN Cc1csc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000002625479 563939722 /nfs/dbraw/zinc/93/97/22/563939722.db2.gz IPNRVDFOJVDBNN-VIFPVBQESA-N 0 0 312.847 4.224 50 0 DIAARN COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1Cl ZINC000002630786 563939737 /nfs/dbraw/zinc/93/97/37/563939737.db2.gz NSSIFPJDBUIUJI-UHFFFAOYSA-N 0 0 314.772 4.011 50 0 DIAARN COc1ccc(OCCOC(=O)c2cccc3ccccc32)cc1 ZINC000002636592 563939908 /nfs/dbraw/zinc/93/99/08/563939908.db2.gz BUCRZVODKHLEMK-UHFFFAOYSA-N 0 0 322.360 4.084 50 0 DIAARN CC(C)CNC(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000028576748 563939922 /nfs/dbraw/zinc/93/99/22/563939922.db2.gz LXIUEWCWRHONLI-UHFFFAOYSA-N 0 0 323.392 4.398 50 0 DIAARN COc1ccc(C(=O)COc2cccc3ccccc32)cc1OC ZINC000002646578 563940038 /nfs/dbraw/zinc/94/00/38/563940038.db2.gz SUNNWMWUNYMVDN-UHFFFAOYSA-N 0 0 322.360 4.119 50 0 DIAARN Cc1ccc2c(CC(=O)N[C@H]3CCCc4ccccc43)coc2c1 ZINC000002648021 563940103 /nfs/dbraw/zinc/94/01/03/563940103.db2.gz DMDBLUSZKQTXAP-IBGZPJMESA-N 0 0 319.404 4.478 50 0 DIAARN COCCNc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 ZINC000002647244 563940147 /nfs/dbraw/zinc/94/01/47/563940147.db2.gz ICHAIEPCZJKYFX-UHFFFAOYSA-N 0 0 322.433 4.440 50 0 DIAARN Cc1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000002662611 563940202 /nfs/dbraw/zinc/94/02/02/563940202.db2.gz OAKLNLXBIFSNLR-UHFFFAOYSA-N 0 0 310.378 4.496 50 0 DIAARN O=C(Nc1ccc(Cl)cc1F)c1ccc2ccccc2n1 ZINC000002726388 563940405 /nfs/dbraw/zinc/94/04/05/563940405.db2.gz JDEFUQFRPLEJRO-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN CC(C)CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000002726428 563940415 /nfs/dbraw/zinc/94/04/15/563940415.db2.gz TZZCOKKVWAMEFC-UHFFFAOYSA-N 0 0 307.846 4.358 50 0 DIAARN C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccn1 ZINC000028779007 563940756 /nfs/dbraw/zinc/94/07/56/563940756.db2.gz KPNCBMXHVCRECC-CYBMUJFWSA-N 0 0 314.454 4.293 50 0 DIAARN CC(C)(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)s1 ZINC000262379793 563941497 /nfs/dbraw/zinc/94/14/97/563941497.db2.gz YPKWTUGOWRUVQJ-SNPRPXQTSA-N 0 0 321.486 4.263 50 0 DIAARN C[C@H](NC(=O)CCSCc1ccccc1F)c1ccccc1 ZINC000002953782 563941522 /nfs/dbraw/zinc/94/15/22/563941522.db2.gz LXXATWJJKXEKIH-AWEZNQCLSA-N 0 0 317.429 4.326 50 0 DIAARN CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)c(OCC)nn2C ZINC000227166627 563941530 /nfs/dbraw/zinc/94/15/30/563941530.db2.gz JSRGFBNDEQSEAU-ZDUSSCGKSA-N 0 0 317.433 4.127 50 0 DIAARN O=C(Nc1ccccc1N1CCCC1)c1cc2c(s1)CCC2 ZINC000029830179 563941663 /nfs/dbraw/zinc/94/16/63/563941663.db2.gz QFDDBZRYTQDHCW-UHFFFAOYSA-N 0 0 312.438 4.089 50 0 DIAARN C[C@H](NCc1csc(-c2cccs2)n1)c1ccncc1 ZINC000057570482 563941893 /nfs/dbraw/zinc/94/18/93/563941893.db2.gz SGJJKDCGIJWYLL-NSHDSACASA-N 0 0 301.440 4.117 50 0 DIAARN CCOc1ccc(NC(=O)CSc2cccc(C)c2)cc1 ZINC000003101885 563942135 /nfs/dbraw/zinc/94/21/35/563942135.db2.gz RMOWMSGUYTXPBZ-UHFFFAOYSA-N 0 0 301.411 4.125 50 0 DIAARN Cc1cc(C)c(NC(=O)c2cc(F)c(F)c(F)c2F)c(C)c1 ZINC000003166624 563942524 /nfs/dbraw/zinc/94/25/24/563942524.db2.gz UBBCTUGCSYWEGX-UHFFFAOYSA-N 0 0 311.278 4.421 50 0 DIAARN CC(C)c1ccc(O[P@@](N)(=O)Oc2ccccc2F)cc1 ZINC000003195762 563942855 /nfs/dbraw/zinc/94/28/55/563942855.db2.gz IXSPFZDAJVAOMU-OAQYLSRUSA-N 0 0 309.277 4.474 50 0 DIAARN Cc1cc2ccccn2c1C(=O)c1ccc(Br)cc1 ZINC000003193686 563942862 /nfs/dbraw/zinc/94/28/62/563942862.db2.gz CWKAFMIOYPILSN-UHFFFAOYSA-N 0 0 314.182 4.241 50 0 DIAARN CC(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000003229826 563942941 /nfs/dbraw/zinc/94/29/41/563942941.db2.gz PTCYPEFCAUHCQV-UHFFFAOYSA-N 0 0 312.341 4.006 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)cc1Cl ZINC000003221721 563943034 /nfs/dbraw/zinc/94/30/34/563943034.db2.gz LNPUFYSTWPEHPJ-LBPRGKRZSA-N 0 0 305.780 4.230 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1ccc(Br)s1 ZINC000003236502 563943103 /nfs/dbraw/zinc/94/31/03/563943103.db2.gz XUSNUDZFDGPARL-UHFFFAOYSA-N 0 0 318.142 4.041 50 0 DIAARN O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccc(F)cc1 ZINC000003237839 563943152 /nfs/dbraw/zinc/94/31/52/563943152.db2.gz YGXJDAJMEIZJHK-UHFFFAOYSA-N 0 0 320.747 4.185 50 0 DIAARN Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 ZINC000003408846 563943954 /nfs/dbraw/zinc/94/39/54/563943954.db2.gz RXGOVROXXAMPGX-UHFFFAOYSA-N 0 0 323.440 4.036 50 0 DIAARN COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000030873881 563943976 /nfs/dbraw/zinc/94/39/76/563943976.db2.gz MJUSZMQZCVZUHP-KBPBESRZSA-N 0 0 315.438 4.053 50 0 DIAARN C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003515041 563944153 /nfs/dbraw/zinc/94/41/53/563944153.db2.gz SXXZHVMXYGAXAF-NSHDSACASA-N 0 0 323.820 4.449 50 0 DIAARN COc1ccccc1NC(=O)N[C@H](C)c1cc(C)sc1C ZINC000031662829 563944541 /nfs/dbraw/zinc/94/45/41/563944541.db2.gz UQZKEYZZABULRX-LLVKDONJSA-N 0 0 304.415 4.256 50 0 DIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(Cl)ccc1F ZINC000031536572 563944568 /nfs/dbraw/zinc/94/45/68/563944568.db2.gz BRFVQJJBEWDGQD-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN C[C@H](NC(=O)CCCc1nc2ccccc2o1)c1ccccc1 ZINC000031807507 563944688 /nfs/dbraw/zinc/94/46/88/563944688.db2.gz PEKZKFYWZMGBII-AWEZNQCLSA-N 0 0 308.381 4.028 50 0 DIAARN CSc1ccc([C@@H](C)NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000031693495 563944833 /nfs/dbraw/zinc/94/48/33/563944833.db2.gz PQJMMSMHDJIGSC-NOZJJQNGSA-N 0 0 318.269 4.170 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004025017 563944904 /nfs/dbraw/zinc/94/49/04/563944904.db2.gz KCZCIYZKSLLNNH-OZKLVWMQSA-N 0 0 322.876 4.446 50 0 biogenic DIAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)(C)C ZINC000031867958 563945035 /nfs/dbraw/zinc/94/50/35/563945035.db2.gz KQIXAFNNHZQXTK-UHFFFAOYSA-N 0 0 308.834 4.300 50 0 DIAARN Nc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000032092401 563945331 /nfs/dbraw/zinc/94/53/31/563945331.db2.gz KJHPYWDFDJMLBZ-ZCFIWIBFSA-N 0 0 314.197 4.156 50 0 DIAARN O=C(Cc1ccc(F)cc1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032074419 563945379 /nfs/dbraw/zinc/94/53/79/563945379.db2.gz LJMJPCRIRYUFSS-UHFFFAOYSA-N 0 0 322.383 4.041 50 0 DIAARN Cc1ccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)o1 ZINC000007975141 563945651 /nfs/dbraw/zinc/94/56/51/563945651.db2.gz XGYIYUNTMLLMLN-CQSZACIVSA-N 0 0 310.397 4.081 50 0 DIAARN Cc1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 ZINC000032480282 563945657 /nfs/dbraw/zinc/94/56/57/563945657.db2.gz FHOTYNGJRSZRCK-UHFFFAOYSA-N 0 0 321.380 4.006 50 0 DIAARN O=C(N[C@H](c1cccs1)C1CCCC1)c1cc(Cl)c[nH]1 ZINC000032397203 563945770 /nfs/dbraw/zinc/94/57/70/563945770.db2.gz HINKTAFOWHUCTP-AWEZNQCLSA-N 0 0 308.834 4.391 50 0 DIAARN CCc1ccc([C@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263385462 563945773 /nfs/dbraw/zinc/94/57/73/563945773.db2.gz CSDBHOPPDIKCMS-FQEVSTJZSA-N 0 0 323.436 4.327 50 0 DIAARN COc1cc2ccccc2cc1C(=O)N1CCc2ccccc2C1 ZINC000007984514 563945868 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O=C(CCC(=O)c1ccc(Cl)s1)NC1CCCCCC1 ZINC000008156903 563947012 /nfs/dbraw/zinc/94/70/12/563947012.db2.gz PKLPZKFZKBDCTE-UHFFFAOYSA-N 0 0 313.850 4.203 50 0 DIAARN c1cn(Cc2ccccc2)c(Sc2ncnc3sccc32)n1 ZINC000008216128 563947229 /nfs/dbraw/zinc/94/72/29/563947229.db2.gz FFGXLBZJKRWJPM-UHFFFAOYSA-N 0 0 324.434 4.087 50 0 DIAARN c1nc(CN2CCCC[C@@H]2c2nc3ccccc3s2)cs1 ZINC000008230163 563947320 /nfs/dbraw/zinc/94/73/20/563947320.db2.gz XIWNUHQNTPHGGK-CQSZACIVSA-N 0 0 315.467 4.480 50 0 DIAARN c1sc(NC2CCCC2)nc1-c1ccc2c(c1)OCCCO2 ZINC000008295853 563947523 /nfs/dbraw/zinc/94/75/23/563947523.db2.gz LFOWDMVNZFUTHX-UHFFFAOYSA-N 0 0 316.426 4.326 50 0 DIAARN C[C@H](NC(=O)c1ccc[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000008269794 563947525 /nfs/dbraw/zinc/94/75/25/563947525.db2.gz VYMLYUNWAAZURX-IWERZKIRSA-N 0 0 316.470 4.079 50 0 DIAARN O=C([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000263565167 563947827 /nfs/dbraw/zinc/94/78/27/563947827.db2.gz FHBHONNZPNHAKD-VQTJNVASSA-N 0 0 323.436 4.276 50 0 DIAARN c1cc2c(ncnc2NCCOc2ccc3ccccc3c2)s1 ZINC000008325541 563947905 /nfs/dbraw/zinc/94/79/05/563947905.db2.gz QNQDNVFNRSSPAF-UHFFFAOYSA-N 0 0 321.405 4.335 50 0 DIAARN COc1ccccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000008324155 563947951 /nfs/dbraw/zinc/94/79/51/563947951.db2.gz LMMVQGYOZXTSAK-LLVKDONJSA-N 0 0 301.411 4.134 50 0 DIAARN Cc1ccc(C)c(NC(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000008370385 563948006 /nfs/dbraw/zinc/94/80/06/563948006.db2.gz NMYVWGVWCJJUGV-UHFFFAOYSA-N 0 0 301.415 4.283 50 0 DIAARN CCCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1 ZINC000008344257 563948075 /nfs/dbraw/zinc/94/80/75/563948075.db2.gz GNLVAEILAXJJGD-UHFFFAOYSA-N 0 0 321.424 4.190 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000008345687 563948085 /nfs/dbraw/zinc/94/80/85/563948085.db2.gz OZICIDWXWKIPPP-UHFFFAOYSA-N 0 0 312.413 4.184 50 0 DIAARN COC(=O)c1cc(Nc2cccc(OC)c2)c2cccc(C)c2n1 ZINC000038487127 563948289 /nfs/dbraw/zinc/94/82/89/563948289.db2.gz PWLCLBKEYLRLQG-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN Cc1ccc(C)c(OCCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000008428210 563948596 /nfs/dbraw/zinc/94/85/96/563948596.db2.gz POXGREVIZWCWOS-OAHLLOKOSA-N 0 0 315.388 4.089 50 0 DIAARN O=C(c1csc(-c2ccsc2)n1)N1CCc2ccccc21 ZINC000008429509 563948660 /nfs/dbraw/zinc/94/86/60/563948660.db2.gz IJYXCHGILIEIHU-UHFFFAOYSA-N 0 0 312.419 4.075 50 0 in-vitro DIAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1C1CC1 ZINC000067143978 563948687 /nfs/dbraw/zinc/94/86/87/563948687.db2.gz UHIGWHBCNSBKGR-WDEREUQCSA-N 0 0 317.376 4.476 50 0 DIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(SC)c1 ZINC000008499871 563948869 /nfs/dbraw/zinc/94/88/69/563948869.db2.gz WVRLFGVIDNKLGM-INIZCTEOSA-N 0 0 301.411 4.205 50 0 DIAARN COc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 ZINC000067339833 563948965 /nfs/dbraw/zinc/94/89/65/563948965.db2.gz NXBREQLCKSDEFS-CSKARUKUSA-N 0 0 323.348 4.102 50 0 DIAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C13CC4CC(CC(C4)C1)C3)N2 ZINC000008549569 563949099 /nfs/dbraw/zinc/94/90/99/563949099.db2.gz YXLPOIUTTBUQBU-VMJZLSGTSA-N 0 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O=C(Nc1ccccc1)c1cccc(Cc2ccccc2)c1O ZINC000000392057 568416226 /nfs/dbraw/zinc/41/62/26/568416226.db2.gz ZHDDIJCEBJVYSJ-UHFFFAOYSA-N 0 0 303.361 4.235 50 0 DIAARN Cc1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 ZINC000032913988 568416473 /nfs/dbraw/zinc/41/64/73/568416473.db2.gz RRJJTLSOFISMMJ-UHFFFAOYSA-N 0 0 322.433 4.224 50 0 DIAARN CNc1nccc(-c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000221579903 568416528 /nfs/dbraw/zinc/41/65/28/568416528.db2.gz XDHCYAXFSLRXBV-UHFFFAOYSA-N 0 0 316.817 4.271 50 0 DIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)c1 ZINC000012586951 568417313 /nfs/dbraw/zinc/41/73/13/568417313.db2.gz OXLLLCIVZZYQEQ-OAHLLOKOSA-N 0 0 308.425 4.231 50 0 DIAARN Cc1c(Cl)cccc1NCc1noc(-c2cccs2)n1 ZINC000078252392 568417573 /nfs/dbraw/zinc/41/75/73/568417573.db2.gz PDMJPCRITPFCCM-UHFFFAOYSA-N 0 0 305.790 4.372 50 0 DIAARN Fc1ccc(NCc2noc(-c3ccccc3)n2)c(Cl)c1 ZINC000078252463 568417576 /nfs/dbraw/zinc/41/75/76/568417576.db2.gz JSFHKPBWYPYKHI-UHFFFAOYSA-N 0 0 303.724 4.141 50 0 DIAARN CN1CCc2c(c3cc(F)ccc3n2CCCc2ccccc2)C1 ZINC000075567537 568418772 /nfs/dbraw/zinc/41/87/72/568418772.db2.gz HGCGXJHGJBKXKO-UHFFFAOYSA-N 0 0 322.427 4.401 50 0 DIAARN Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2)s1 ZINC000007060816 568419189 /nfs/dbraw/zinc/41/91/89/568419189.db2.gz UGEMSPSODNAPMZ-UHFFFAOYSA-N 0 0 310.378 4.496 50 0 DIAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1Cl ZINC000071812296 568419918 /nfs/dbraw/zinc/41/99/18/568419918.db2.gz TUTAFGIWUZWLIE-UHFFFAOYSA-N 0 0 309.756 4.049 50 0 DIAARN CCN(C(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3 ZINC000001057805 568420517 /nfs/dbraw/zinc/42/05/17/568420517.db2.gz VYUNHIXKSYPKGM-UHFFFAOYSA-N 0 0 301.405 4.113 50 0 DIAARN CCCCCCSc1nsc(NC(=O)CC(C)C)n1 ZINC000002070295 568420552 /nfs/dbraw/zinc/42/05/52/568420552.db2.gz NDBGMPBQTHIHGD-UHFFFAOYSA-N 0 0 301.481 4.195 50 0 DIAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000000383789 568421643 /nfs/dbraw/zinc/42/16/43/568421643.db2.gz WPAUFFLEIDRADM-UHFFFAOYSA-N 0 0 308.377 4.403 50 0 DIAARN O=c1nc(C=Cc2ccccc2)[nH]c2sc3c(c21)CCCCC3 ZINC000009691031 568421872 /nfs/dbraw/zinc/42/18/72/568421872.db2.gz LVWYJFPBMULCBJ-VAWYXSNFSA-N 0 0 322.433 4.424 50 0 DIAARN COc1ccc(Nc2ncnc3sc(C)cc32)cc1Cl ZINC000000224062 1035503397 /nfs/dbraw/zinc/50/33/97/1035503397.db2.gz OXIPDDCZZFKGAD-UHFFFAOYSA-N 0 0 305.790 4.405 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000038567358 1035744764 /nfs/dbraw/zinc/74/47/64/1035744764.db2.gz XTGRMTSBYPXDQG-INIZCTEOSA-N 0 0 314.816 4.039 50 0 DIAARN Cc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000022205344 1036896758 /nfs/dbraw/zinc/89/67/58/1036896758.db2.gz VTHSPUGVWSHMIA-INIZCTEOSA-N 0 0 320.219 4.449 50 0 DIAARN COc1ccc(-c2coc3cc(OC)c(Cl)cc3c2=O)cc1 ZINC000048057007 1037023243 /nfs/dbraw/zinc/02/32/43/1037023243.db2.gz XCEHBJWHMYFXFN-UHFFFAOYSA-N 0 0 316.740 4.131 50 0 DIAARN Cc1c(CN[C@H](C)c2cc(Cl)cc(Cl)c2F)cnn1C ZINC000692332448 1038168642 /nfs/dbraw/zinc/16/86/42/1038168642.db2.gz WVIIPQOYKGEIHA-MRVPVSSYSA-N 0 0 316.207 4.025 50 0 DIAARN C[C@H]1CCCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1 ZINC000014113716 1038486197 /nfs/dbraw/zinc/48/61/97/1038486197.db2.gz AKQPUYYGJWUEHN-LBPRGKRZSA-N 0 0 321.346 4.399 50 0 DIAARN CC[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1nc(C)cs1 ZINC000194303776 1038582739 /nfs/dbraw/zinc/58/27/39/1038582739.db2.gz ZCUCWBBVPRFKST-CYBMUJFWSA-N 0 0 314.414 4.206 50 0 DIAARN O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCCc2sccc21 ZINC000194327345 1038609392 /nfs/dbraw/zinc/60/93/92/1038609392.db2.gz DQAHNCULRBVWAO-CQSZACIVSA-N 0 0 311.410 4.429 50 0 DIAARN O[C@@H](COCc1ccccc1)CSCc1ccc(Cl)cc1 ZINC000023114795 1039041017 /nfs/dbraw/zinc/04/10/17/1039041017.db2.gz MVCQNDRVUOIAHL-KRWDZBQOSA-N 0 0 322.857 4.151 50 0 DIAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F ZINC000014679276 1039139334 /nfs/dbraw/zinc/13/93/34/1039139334.db2.gz PANZANQYSOZPHY-UHFFFAOYSA-N 0 0 317.213 4.116 50 0 DIAARN CN(C)C(=O)c1ccc(-c2ccc3cc(Cl)ccc3n2)cc1 ZINC000032541501 1039346065 /nfs/dbraw/zinc/34/60/65/1039346065.db2.gz WOCHEUJIVZHYAJ-UHFFFAOYSA-N 0 0 310.784 4.257 50 0 DIAARN C/C=C\C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000097655194 1039615716 /nfs/dbraw/zinc/61/57/16/1039615716.db2.gz MBZIMUDYLDDSGY-WAPJZHGLSA-N 0 0 319.360 4.137 50 0 DIAARN O=C(c1scnc1C1CC1)N1CCCC[C@@H]2CCCC[C@H]21 ZINC000253393715 1039888448 /nfs/dbraw/zinc/88/84/48/1039888448.db2.gz BCQIEUJZBNKBJO-GXTWGEPZSA-N 0 0 304.459 4.205 50 0 DIAARN Cc1noc(C)c1C[C@H](C)C(=O)O[C@H]1C=C(C)CC(C)(C)C1 ZINC000170635154 1039966086 /nfs/dbraw/zinc/96/60/86/1039966086.db2.gz ZMOKDYASOUMMDM-WFASDCNBSA-N 0 0 305.418 4.148 50 0 DIAARN CCCCSc1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000002479644 1040084753 /nfs/dbraw/zinc/08/47/53/1040084753.db2.gz YHKYMXGRFCJUDD-UHFFFAOYSA-N 0 0 310.422 4.278 50 0 DIAARN C/C(=C/c1ccccc1)CNc1ccc([S@@](C)=O)c(F)c1 ZINC000095971971 1040478372 /nfs/dbraw/zinc/47/83/72/1040478372.db2.gz ZEFFAHHKUDVGFE-DGDFFNOKSA-N 0 0 303.402 4.079 50 0 DIAARN COc1ccc(NCc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000023282405 1040563037 /nfs/dbraw/zinc/56/30/37/1040563037.db2.gz BUQBRZJEDWIEIP-UHFFFAOYSA-N 0 0 311.303 4.335 50 0 DIAARN CCc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 ZINC000097674397 1040662643 /nfs/dbraw/zinc/66/26/43/1040662643.db2.gz OGEHGZSZLKGBCS-SEYXRHQNSA-N 0 0 302.377 4.449 50 0 DIAARN COc1cccc(/C=C/C(=O)Oc2cccc3ccc(C)nc32)c1 ZINC000013279054 1040882759 /nfs/dbraw/zinc/88/27/59/1040882759.db2.gz PIJPLAIVXIPIKI-ZRDIBKRKSA-N 0 0 319.360 4.171 50 0 DIAARN Clc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 ZINC000000525865 1041508759 /nfs/dbraw/zinc/50/87/59/1041508759.db2.gz KHLDKZKIAWXOHO-JKSUJKDBSA-N 0 0 310.788 4.078 50 0 DIAARN CC(C)(C)[C@@H]1CCCN(C(=O)CCCc2ccccn2)CC1 ZINC000116090535 1041525905 /nfs/dbraw/zinc/52/59/05/1041525905.db2.gz DOALDWNJXUORCK-MRXNPFEDSA-N 0 0 302.462 4.079 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)n[nH]2)cc1 ZINC000051315389 1041579693 /nfs/dbraw/zinc/57/96/93/1041579693.db2.gz XMGYIEQLYCQEDZ-UHFFFAOYSA-N 0 0 321.380 4.036 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2ccsc2)C1 ZINC000675008389 1041670818 /nfs/dbraw/zinc/67/08/18/1041670818.db2.gz VLUIVTBUMBDQIO-LLVKDONJSA-N 0 0 323.820 4.099 50 0 DIAARN Cn1c(S[C@H]2CCCc3ccccc32)nnc1-c1cccnc1 ZINC000047221745 1041820157 /nfs/dbraw/zinc/82/01/57/1041820157.db2.gz MBLCDQYMBXVUPD-INIZCTEOSA-N 0 0 322.437 4.047 50 0 DIAARN Cc1cc(C)c(C(=O)CCCC(=O)Nc2ncccc2C)c(C)c1 ZINC000047303264 1041822545 /nfs/dbraw/zinc/82/25/45/1041822545.db2.gz LZTVSBDBAFUDKH-UHFFFAOYSA-N 0 0 324.424 4.307 50 0 DIAARN C[C@H](c1cc(C(=O)N(C)C2CCCCC2)on1)c1ccccc1 ZINC000299776502 1041823533 /nfs/dbraw/zinc/82/35/33/1041823533.db2.gz CIELSNWZBLURMN-AWEZNQCLSA-N 0 0 312.413 4.231 50 0 DIAARN O=C(NCc1cccs1)Nc1ccccc1SC(F)F ZINC000047466434 1041830150 /nfs/dbraw/zinc/83/01/50/1041830150.db2.gz RAQPZIHREXOUIP-UHFFFAOYSA-N 0 0 314.382 4.385 50 0 DIAARN Cc1ccsc1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000047542952 1041841151 /nfs/dbraw/zinc/84/11/51/1041841151.db2.gz CZFQAOHLYCMTSG-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C)c(C)c2)no1 ZINC000106832844 1041853332 /nfs/dbraw/zinc/85/33/32/1041853332.db2.gz VFZMRIQZNKUHAW-LMMKCTJWSA-N 0 0 324.424 4.067 50 0 DIAARN Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1C ZINC000044632041 1041894949 /nfs/dbraw/zinc/89/49/49/1041894949.db2.gz LOXPRRWPWUPJLO-UHFFFAOYSA-N 0 0 312.394 4.196 50 0 DIAARN O=C(Nc1cccc2cnccc21)N1CC[C@@H]1c1ccccc1 ZINC000047698520 1041968744 /nfs/dbraw/zinc/96/87/44/1041968744.db2.gz CCUUIGCMOYGPMH-GOSISDBHSA-N 0 0 303.365 4.214 50 0 DIAARN Brc1ccsc1-c1csc(-c2cnccn2)n1 ZINC000048365217 1041994679 /nfs/dbraw/zinc/99/46/79/1041994679.db2.gz IVJZNYLDHQVLNB-UHFFFAOYSA-N 0 0 324.228 4.091 50 0 DIAARN CC(C)(C)c1cc(NC(=O)C2(c3cccs3)CCCC2)on1 ZINC000049026403 1042033958 /nfs/dbraw/zinc/03/39/58/1042033958.db2.gz ARXBRJJVYTXREL-UHFFFAOYSA-N 0 0 318.442 4.484 50 0 DIAARN O=C(NCc1cc(-c2ccccc2)on1)c1cc2ccccc2o1 ZINC000012235465 1042088609 /nfs/dbraw/zinc/08/86/09/1042088609.db2.gz JOHKQAMZBLUCBG-UHFFFAOYSA-N 0 0 318.332 4.018 50 0 DIAARN CC(=NNc1ccc(C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000254789586 1042095196 /nfs/dbraw/zinc/09/51/96/1042095196.db2.gz UISCZRCIQIZVGL-UHFFFAOYSA-N 0 0 303.749 4.393 50 0 DIAARN O=C(NC1(c2ccccc2)CCCCC1)c1ocnc1C1CC1 ZINC000585083605 1042201121 /nfs/dbraw/zinc/20/11/21/1042201121.db2.gz LZJSMSBDHDLGCM-UHFFFAOYSA-N 0 0 310.397 4.141 50 0 DIAARN O=C(Nc1cccc(OC2CCCC2)c1)c1ccc[nH]c1=S ZINC000031206985 1042220702 /nfs/dbraw/zinc/22/07/02/1042220702.db2.gz GPGAXYRDWYFVAV-UHFFFAOYSA-N 0 0 314.410 4.318 50 0 DIAARN CC(C)Sc1ccc([C@H](C)NC(=O)Cc2ccncc2)cc1 ZINC000181980480 1042220724 /nfs/dbraw/zinc/22/07/24/1042220724.db2.gz BILCUFYMFZMJCS-AWEZNQCLSA-N 0 0 314.454 4.002 50 0 DIAARN CC(C)c1ccc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)cc1 ZINC000585129130 1042244599 /nfs/dbraw/zinc/24/45/99/1042244599.db2.gz YWHIQYCGROTABK-GOSISDBHSA-N 0 0 322.408 4.013 50 0 DIAARN CCn1nc(C)c(CNc2cc(Cl)nc3ccccc32)c1C ZINC000888095636 1042261679 /nfs/dbraw/zinc/26/16/79/1042261679.db2.gz WIMAZRYFBHNOQE-UHFFFAOYSA-N 0 0 314.820 4.334 50 0 DIAARN C[C@H](NC(=O)N1CCC[C@H]1CC1CCCC1)c1ncccc1F ZINC000888100247 1042265438 /nfs/dbraw/zinc/26/54/38/1042265438.db2.gz ZCRULLRLEFFNMG-ZFWWWQNUSA-N 0 0 319.424 4.036 50 0 DIAARN CCCc1nc(C)c(-c2nc(-c3csc(C(C)C)n3)no2)o1 ZINC000888101871 1042266592 /nfs/dbraw/zinc/26/65/92/1042266592.db2.gz IMRUNSALWCKGQL-UHFFFAOYSA-N 0 0 318.402 4.232 50 0 DIAARN CC(C)C[C@@H](C(=O)Nc1cc(F)c(F)c(F)c1)n1cccc1 ZINC000888104790 1042277737 /nfs/dbraw/zinc/27/77/37/1042277737.db2.gz MRNSOYFOACWOOZ-AWEZNQCLSA-N 0 0 310.319 4.131 50 0 DIAARN CC(C)n1ccc2ccc(C(=O)N(C)Cc3ccccc3)cc21 ZINC000888105595 1042279230 /nfs/dbraw/zinc/27/92/30/1042279230.db2.gz WMDFXNFESQOJDB-UHFFFAOYSA-N 0 0 306.409 4.494 50 0 DIAARN Fc1cccc(Cl)c1-c1nnc2ccc(C(F)(F)F)cn21 ZINC000000049411 1042382995 /nfs/dbraw/zinc/38/29/95/1042382995.db2.gz HBDIJLRIZVJIHV-UHFFFAOYSA-N 0 0 315.657 4.208 50 0 DIAARN CCN(CC)c1nc(-c2cccc(Cl)c2)nc2ncccc21 ZINC000005794802 1042399085 /nfs/dbraw/zinc/39/90/85/1042399085.db2.gz 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ZINC000033746076 1052868282 /nfs/dbraw/zinc/86/82/82/1052868282.db2.gz RZZVMXMYALDQNO-XGICHPGQSA-N 0 0 300.789 4.058 50 0 DIAARN Cc1cccc2sc(NC(=O)/C=C\c3cccs3)nc21 ZINC000033776060 1052876413 /nfs/dbraw/zinc/87/64/13/1052876413.db2.gz JYTNYPVCDUSXFT-FPLPWBNLSA-N 0 0 300.408 4.318 50 0 DIAARN CCOc1ccccc1NCC(=O)Nc1c(C)cccc1CC ZINC000007846680 1053028629 /nfs/dbraw/zinc/02/86/29/1053028629.db2.gz YHUISUJGGSZAQI-UHFFFAOYSA-N 0 0 312.413 4.007 50 0 DIAARN Cc1c(NC(=O)N[C@@H]2CCCc3ccccc32)cccc1N(C)C ZINC000180163762 1053047100 /nfs/dbraw/zinc/04/71/00/1053047100.db2.gz YVLIYDCBFONIQB-GOSISDBHSA-N 0 0 323.440 4.260 50 0 DIAARN Cc1c(NC(=O)N[C@H]2CCCc3ccccc32)cccc1N(C)C ZINC000180163779 1053047325 /nfs/dbraw/zinc/04/73/25/1053047325.db2.gz YVLIYDCBFONIQB-SFHVURJKSA-N 0 0 323.440 4.260 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC)cc1 ZINC000007886481 1053138694 /nfs/dbraw/zinc/13/86/94/1053138694.db2.gz AHTRCPGHHFZIJB-GOSISDBHSA-N 0 0 310.397 4.062 50 0 DIAARN O=C1Nc2ccccc2C12CCC(Nc1cccc(F)c1)CC2 ZINC000182681372 1053497541 /nfs/dbraw/zinc/49/75/41/1053497541.db2.gz CBTGBJAAPLXMPN-UHFFFAOYSA-N 0 0 310.372 4.070 50 0 DIAARN CC(C)[C@@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 ZINC000000489694 1055533288 /nfs/dbraw/zinc/53/32/88/1055533288.db2.gz SFAMBPYBOIWAJU-KRWDZBQOSA-N 0 0 309.475 4.099 50 0 biogenic DIAARN C[C@@H](O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000035626376 1055970661 /nfs/dbraw/zinc/97/06/61/1055970661.db2.gz OIGPPXOKVMARNW-LLVKDONJSA-N 0 0 307.187 4.081 50 0 DIAARN Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)[C@H](C)CCC3 ZINC000002362044 1056540401 /nfs/dbraw/zinc/54/04/01/1056540401.db2.gz FCOLWRCXKXFTIY-SECBINFHSA-N 0 0 324.409 4.347 50 0 DIAARN Cc1ccsc1C(=O)[C@@H]1CCCN(C/C=C/c2ccco2)C1 ZINC000012197917 1056983908 /nfs/dbraw/zinc/98/39/08/1056983908.db2.gz PISAIEFDMSGNQC-YFCVBGDOSA-N 0 0 315.438 4.258 50 0 DIAARN COc1cc(C)c(NC(=O)c2cnc(C(C)(C)C)s2)cc1F ZINC000186824695 1057132656 /nfs/dbraw/zinc/13/26/56/1057132656.db2.gz SDBSJHRUJMCMQJ-UHFFFAOYSA-N 0 0 322.405 4.149 50 0 DIAARN CCCc1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000031214739 1057171425 /nfs/dbraw/zinc/17/14/25/1057171425.db2.gz PFXXQLHMQACHMW-UHFFFAOYSA-N 0 0 305.381 4.077 50 0 DIAARN Cc1noc(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000063447538 1057580553 /nfs/dbraw/zinc/58/05/53/1057580553.db2.gz DBLLRXZOKJBQCO-UHFFFAOYSA-N 0 0 320.392 4.452 50 0 DIAARN CC(=O)C(N=Nc1ccccc1)=C(C)N[C@H](C)c1ccccc1 ZINC000102415950 1057581641 /nfs/dbraw/zinc/58/16/41/1057581641.db2.gz HGYQILNPJXHBSR-VFBXIIKMSA-N 0 0 307.397 4.266 50 0 DIAARN C[C@H](NC(=O)c1cc2cccc(Cl)c2n1C)C1=CCCCC1 ZINC000820723383 1057768804 /nfs/dbraw/zinc/76/88/04/1057768804.db2.gz PONDPSOZTYQHJA-LBPRGKRZSA-N 0 0 316.832 4.450 50 0 DIAARN Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1C(=O)N(C)C ZINC000822259377 1057793583 /nfs/dbraw/zinc/79/35/83/1057793583.db2.gz BUJOLQPNDJDZRU-UHFFFAOYSA-N 0 0 324.424 4.073 50 0 DIAARN Cc1csc(CN(C)Cc2cc(C3CCCCC3)no2)n1 ZINC001529104216 1058610348 /nfs/dbraw/zinc/61/03/48/1058610348.db2.gz MIGQGXGHWHNUDP-UHFFFAOYSA-N 0 0 305.447 4.119 50 0 DIAARN CCn1nc(C)c([C@@H](C)Nc2ccc3cccc(OC)c3n2)c1C ZINC001529120134 1058615348 /nfs/dbraw/zinc/61/53/48/1058615348.db2.gz UZJPWKJASISOTL-GFCCVEGCSA-N 0 0 324.428 4.250 50 0 DIAARN CCCCn1ncc(C)c1NC(=O)c1cc2cc(C)ccc2n1C ZINC001529173534 1058631373 /nfs/dbraw/zinc/63/13/73/1058631373.db2.gz YDQROZCLUGOLED-UHFFFAOYSA-N 0 0 324.428 4.044 50 0 DIAARN Cc1ccc(C)c(CC(=O)N(C)Cc2cccc3cnccc32)c1 ZINC001506399812 1063508305 /nfs/dbraw/zinc/50/83/05/1063508305.db2.gz QQHPCMNULYMCID-UHFFFAOYSA-N 0 0 318.420 4.053 50 0 DIAARN CC(=O)N[C@H](C)c1ccc(-c2cc(F)cc3cccnc32)cc1 ZINC001506400630 1063508426 /nfs/dbraw/zinc/50/84/26/1063508426.db2.gz XAOZWBFKHVKPFJ-GFCCVEGCSA-N 0 0 308.356 4.238 50 0 DIAARN CO[C@@H](C)c1ccc(-c2c(C(C)(C)C)nc3ncccn32)cc1 ZINC001506421127 1063510314 /nfs/dbraw/zinc/51/03/14/1063510314.db2.gz WTGYDLZGEWBKBL-ZDUSSCGKSA-N 0 0 309.413 4.401 50 0 DIAARN CC[C@@H](C)N(Cc1ccsc1)C(=O)c1cc(Cl)cn1C ZINC001506421992 1063511010 /nfs/dbraw/zinc/51/10/10/1063511010.db2.gz MNTVILCETJPKQS-LLVKDONJSA-N 0 0 310.850 4.181 50 0 DIAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nccc2-c1ccncc1 ZINC000095478856 185373439 /nfs/dbraw/zinc/37/34/39/185373439.db2.gz BCJRELYMNWOTGX-UHFFFAOYSA-N 0 0 320.783 4.420 50 0 DIAARN O=C1CC2(CN1Cc1cncn1C1CCCCC1)CCCCC2 ZINC000095500482 185374651 /nfs/dbraw/zinc/37/46/51/185374651.db2.gz DVSWZIZKVJJNLP-UHFFFAOYSA-N 0 0 315.461 4.071 50 0 DIAARN COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076937721 185058644 /nfs/dbraw/zinc/05/86/44/185058644.db2.gz UUZFAHJNWNXSCA-OAHLLOKOSA-N 0 0 314.385 4.437 50 0 DIAARN COc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076937723 185058733 /nfs/dbraw/zinc/05/87/33/185058733.db2.gz UUZFAHJNWNXSCA-HNNXBMFYSA-N 0 0 314.385 4.437 50 0 DIAARN O=C1CC2(CCCC2)CN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000095530929 185378861 /nfs/dbraw/zinc/37/88/61/185378861.db2.gz KZLWHLAVQTVGMA-UHFFFAOYSA-N 0 0 315.310 4.137 50 0 DIAARN C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC000077028467 185072802 /nfs/dbraw/zinc/07/28/02/185072802.db2.gz WWNQMGYJYMXOEU-SECBINFHSA-N 0 0 300.196 4.035 50 0 DIAARN C[C@@H](CCc1cccc(F)c1)N1CCCN1C(=O)OC(C)(C)C ZINC000225417772 201705193 /nfs/dbraw/zinc/70/51/93/201705193.db2.gz GZSQSUYWSCHLNT-AWEZNQCLSA-N 0 0 322.424 4.005 50 0 DIAARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cccs1 ZINC000096759171 185386658 /nfs/dbraw/zinc/38/66/58/185386658.db2.gz UOGWYPFPMSMGQJ-CSKARUKUSA-N 0 0 314.797 4.056 50 0 DIAARN Cc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000096767685 185386805 /nfs/dbraw/zinc/38/68/05/185386805.db2.gz AOCKUDBGSSKMAW-XYOKQWHBSA-N 0 0 302.786 4.442 50 0 DIAARN Cc1noc([C@H](NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C(C)C)n1 ZINC000225422600 201705674 /nfs/dbraw/zinc/70/56/74/201705674.db2.gz ZPEBEMWMTGQKDF-XNRPHZJLSA-N 0 0 321.465 4.044 50 0 DIAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3C)c2)nn1 ZINC000077136079 185111854 /nfs/dbraw/zinc/11/18/54/185111854.db2.gz QCIKHXMNNHDCSF-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN O=c1nc(C=Cc2ccccc2)[nH]c2sc3c(c21)CCCCC3 ZINC000096791984 185388453 /nfs/dbraw/zinc/38/84/53/185388453.db2.gz LVWYJFPBMULCBJ-QXMHVHEDSA-N 0 0 322.433 4.424 50 0 DIAARN CC(C)CC1(C(=O)N[C@H]2CCOc3ccccc32)CCCC1 ZINC000079068943 185152829 /nfs/dbraw/zinc/15/28/29/185152829.db2.gz GQAFHHJHHXZLDI-INIZCTEOSA-N 0 0 301.430 4.233 50 0 DIAARN Cc1cc(N2CCCC[C@@H]2CC(C)C)nc(-c2ccncc2)n1 ZINC000079097912 185158151 /nfs/dbraw/zinc/15/81/51/185158151.db2.gz LWMUUFMDCFTYTK-QGZVFWFLSA-N 0 0 310.445 4.252 50 0 DIAARN Cc1ccc(C=CC(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)o1 ZINC000096797991 185388762 /nfs/dbraw/zinc/38/87/62/185388762.db2.gz HXJXGDIZRGMEAP-JLVNDZCYSA-N 0 0 318.756 4.069 50 0 DIAARN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccsc3)nc12 ZINC000096891634 185390410 /nfs/dbraw/zinc/39/04/10/185390410.db2.gz ZVJDKOILTSQCFH-KPKJPENVSA-N 0 0 302.786 4.442 50 0 DIAARN O=C(/C=C\c1sc2ccccc2c1Cl)NCC(F)(F)F ZINC000096904503 185390658 /nfs/dbraw/zinc/39/06/58/185390658.db2.gz QQDZNFCJXBXQRF-WAYWQWQTSA-N 0 0 319.735 4.246 50 0 DIAARN Cc1nn(C)cc1-c1csc(-c2c(F)cccc2Cl)n1 ZINC000328591247 231234426 /nfs/dbraw/zinc/23/44/26/231234426.db2.gz CTJKOBHGONMEBQ-UHFFFAOYSA-N 0 0 307.781 4.312 50 0 DIAARN Cc1cc(C)cc(-c2ccc(CN[C@H](C)c3ncon3)cc2)c1 ZINC000328595292 231236220 /nfs/dbraw/zinc/23/62/20/231236220.db2.gz QFPXRUKTHDITCY-OAHLLOKOSA-N 0 0 307.397 4.204 50 0 DIAARN COc1ccc(/C=C\C(=O)Nc2ccc(SC)cc2)cc1F ZINC000096913003 185391308 /nfs/dbraw/zinc/39/13/08/185391308.db2.gz DCTIKODPEMSHDB-WMZJFQQLSA-N 0 0 317.385 4.208 50 0 DIAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000096920624 185391400 /nfs/dbraw/zinc/39/14/00/185391400.db2.gz PAPALOKAPVEFTI-SBSDFTTDSA-N 0 0 315.413 4.436 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2C)cc1 ZINC000096925072 185391615 /nfs/dbraw/zinc/39/16/15/185391615.db2.gz NRRKDIIZUSLLEX-QKQONQEDSA-N 0 0 321.420 4.381 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2)cc1 ZINC000096925002 185391809 /nfs/dbraw/zinc/39/18/09/185391809.db2.gz WRBMYFRBGGAKOQ-SZJVNEJHSA-N 0 0 307.393 4.072 50 0 DIAARN COc1cccc(/C=C\C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000096937045 185393006 /nfs/dbraw/zinc/39/30/06/185393006.db2.gz HWDHMEZOIJGIDP-SYGIOELKSA-N 0 0 307.393 4.072 50 0 DIAARN COc1cccc(/C=C\C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000096937046 185393007 /nfs/dbraw/zinc/39/30/07/185393007.db2.gz HWDHMEZOIJGIDP-HSNDNRACSA-N 0 0 307.393 4.072 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1cccc2cccnc12 ZINC000096941232 185393343 /nfs/dbraw/zinc/39/33/43/185393343.db2.gz SUBVCDQNVHTNIP-QYMJWVLRSA-N 0 0 314.388 4.226 50 0 DIAARN CC(C)(C)c1ccccc1NCC(=O)Nc1ccc(Cl)cn1 ZINC000096969656 185394369 /nfs/dbraw/zinc/39/43/69/185394369.db2.gz QWOLGJMLFQBQDU-UHFFFAOYSA-N 0 0 317.820 4.083 50 0 DIAARN FC(F)(F)Oc1ccc(Br)c(Br)c1 ZINC000081991118 192351680 /nfs/dbraw/zinc/35/16/80/192351680.db2.gz TWWYCVQUIRYXRE-UHFFFAOYSA-N 0 0 319.902 4.110 50 0 DIAARN CCOc1ccc(Oc2ccc(NCc3nccn3C)cc2)cc1 ZINC000096970787 185394556 /nfs/dbraw/zinc/39/45/56/185394556.db2.gz HWHYPAINPWJWIY-UHFFFAOYSA-N 0 0 323.396 4.223 50 0 DIAARN CSc1ccccc1C(=O)N(C)[C@H](C)c1nc(C)sc1C ZINC000082097417 192354758 /nfs/dbraw/zinc/35/47/58/192354758.db2.gz OQVWXCYFCDRUOS-SNVBAGLBSA-N 0 0 320.483 4.315 50 0 DIAARN COCCC[C@@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000082098612 192355598 /nfs/dbraw/zinc/35/55/98/192355598.db2.gz IXNXYFKQTAUVDB-HNNXBMFYSA-N 0 0 315.413 4.020 50 0 DIAARN O=C(c1cccs1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612280 185306791 /nfs/dbraw/zinc/30/67/91/185306791.db2.gz IZPQUELLAMVZSM-UHFFFAOYSA-N 0 0 317.435 4.288 50 0 DIAARN Cc1cc(C)c(C(=O)N2CCC(OC(C)(C)C)CC2)c(C)c1 ZINC000090658583 185308219 /nfs/dbraw/zinc/30/82/19/185308219.db2.gz GDPIMWBEDSCQOQ-UHFFFAOYSA-N 0 0 303.446 4.032 50 0 DIAARN Cc1cccc(OCCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000002626188 190616446 /nfs/dbraw/zinc/61/64/46/190616446.db2.gz SEUIRYRMTDQOJA-UHFFFAOYSA-N 0 0 307.752 4.195 50 0 DIAARN O=C(Nc1cnc2ccccc2c1)NC1(c2ccccc2)CC1 ZINC000000092875 190610795 /nfs/dbraw/zinc/61/07/95/190610795.db2.gz UPXCBBPQNFFUIM-UHFFFAOYSA-N 0 0 303.365 4.046 50 0 DIAARN c1ccc2c(c1)nc(-c1ccncc1)nc2NC1CCCCC1 ZINC000000337361 190612778 /nfs/dbraw/zinc/61/27/78/190612778.db2.gz ILIGQOSIMGEJNB-UHFFFAOYSA-N 0 0 304.397 4.436 50 0 DIAARN COc1ccc(NC(=O)CSc2ccccc2)cc1Cl ZINC000000328798 190612873 /nfs/dbraw/zinc/61/28/73/190612873.db2.gz VVLXMIPKUOJTNO-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN Cc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)c2cccc(C)c2n1 ZINC000082109419 192358072 /nfs/dbraw/zinc/35/80/72/192358072.db2.gz AQMPZJZGOIGUIX-AWEZNQCLSA-N 0 0 322.330 4.019 50 0 DIAARN CC(=O)Nc1ccc(-n2ccnc2-c2ccccc2Cl)cc1 ZINC000082109656 192358217 /nfs/dbraw/zinc/35/82/17/192358217.db2.gz ISDKPYDVHJGEIY-UHFFFAOYSA-N 0 0 311.772 4.151 50 0 DIAARN O=C(CCc1ccccc1)NCc1csc(-c2ccccc2)n1 ZINC000006741664 190622975 /nfs/dbraw/zinc/62/29/75/190622975.db2.gz VMCAKOQXOIYYFN-UHFFFAOYSA-N 0 0 322.433 4.059 50 0 DIAARN CCCC1=Nc2cc(C(=O)NC)ccc2Sc2ccccc21 ZINC000006727998 190623105 /nfs/dbraw/zinc/62/31/05/190623105.db2.gz GXDBZVYJLBLYFU-UHFFFAOYSA-N 0 0 310.422 4.432 50 0 DIAARN Oc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000007777123 190629255 /nfs/dbraw/zinc/62/92/55/190629255.db2.gz XFPNADMOTTXDRK-UHFFFAOYSA-N 0 0 312.316 4.220 50 0 DIAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC(C)(C)O3 ZINC000009485405 190633053 /nfs/dbraw/zinc/63/30/53/190633053.db2.gz FTRQJBATBICQRJ-UHFFFAOYSA-N 0 0 314.381 4.188 50 0 DIAARN Cc1nnc(CS[C@@H](C)c2ccccc2Br)o1 ZINC000095412903 185357997 /nfs/dbraw/zinc/35/79/97/185357997.db2.gz JCMOKHYEVJKCKN-QMMMGPOBSA-N 0 0 313.220 4.135 50 0 DIAARN COCCOc1cccc(NCc2cnc(C3CCC3)s2)c1 ZINC000095415417 185358828 /nfs/dbraw/zinc/35/88/28/185358828.db2.gz XOCNMHLOZFLNIK-UHFFFAOYSA-N 0 0 318.442 4.048 50 0 DIAARN CCN(C(=O)CC1CCSCC1)[C@@H](c1cccnc1)C(C)C ZINC000095416906 185359210 /nfs/dbraw/zinc/35/92/10/185359210.db2.gz MFWWUDUESWOONG-GOSISDBHSA-N 0 0 320.502 4.161 50 0 DIAARN Cc1ccc([C@H](C)Cc2cn(Cc3cc4ccccc4[nH]3)nn2)o1 ZINC000082156815 192362807 /nfs/dbraw/zinc/36/28/07/192362807.db2.gz YQADWKZXNBUZNL-CYBMUJFWSA-N 0 0 320.396 4.055 50 0 DIAARN Cc1ccc([C@@H](C)Cc2cn(Cc3cc4ccccc4[nH]3)nn2)o1 ZINC000082156814 192362870 /nfs/dbraw/zinc/36/28/70/192362870.db2.gz YQADWKZXNBUZNL-ZDUSSCGKSA-N 0 0 320.396 4.055 50 0 DIAARN CCSCc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 ZINC000095429264 185362717 /nfs/dbraw/zinc/36/27/17/185362717.db2.gz OVBGLTDBKRZBCV-UHFFFAOYSA-N 0 0 324.453 4.337 50 0 DIAARN C[C@H](NC(=O)c1cc2occc2[nH]1)c1nc(C(C)(C)C)cs1 ZINC000095432797 185363719 /nfs/dbraw/zinc/36/37/19/185363719.db2.gz BTCOUHQLYDXIIB-VIFPVBQESA-N 0 0 317.414 4.006 50 0 DIAARN Cc1ccsc1[C@@H](C)NCc1nccn1Cc1ccccc1 ZINC000095423416 185361052 /nfs/dbraw/zinc/36/10/52/185361052.db2.gz VHDKTQZLKYZWGV-OAHLLOKOSA-N 0 0 311.454 4.152 50 0 DIAARN COc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c(Cl)c1 ZINC000095446831 185367759 /nfs/dbraw/zinc/36/77/59/185367759.db2.gz IGWSGAJSBPPBCF-INIZCTEOSA-N 0 0 319.836 4.026 50 0 DIAARN Cc1ncccc1CNc1cc([C@H]2C[C@H]2C)nn1-c1ccccc1 ZINC000095455330 185369717 /nfs/dbraw/zinc/36/97/17/185369717.db2.gz MBTXWDXJFMIDEK-KDOFPFPSSA-N 0 0 318.424 4.311 50 0 DIAARN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2 ZINC000095450960 185368945 /nfs/dbraw/zinc/36/89/45/185368945.db2.gz QQUIADPCFWZFLX-UWVGGRQHSA-N 0 0 308.397 4.322 50 0 DIAARN Cc1ncsc1C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000095440395 185366122 /nfs/dbraw/zinc/36/61/22/185366122.db2.gz AQPHMWGRANEASF-NSHDSACASA-N 0 0 323.487 4.173 50 0 DIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CC(F)(F)F ZINC000095440403 185366134 /nfs/dbraw/zinc/36/61/34/185366134.db2.gz PFKSYEBKSMDCSG-VIFPVBQESA-N 0 0 308.369 4.047 50 0 DIAARN COCc1ccc(C(=O)Nc2ccc(F)cc2-n2cccc2)cc1 ZINC000095467826 185372048 /nfs/dbraw/zinc/37/20/48/185372048.db2.gz XAJWFRTUHKBKII-UHFFFAOYSA-N 0 0 324.355 4.015 50 0 DIAARN c1cc(-c2ccccc2)oc1CNc1c[nH]nc1-c1ccccn1 ZINC000095467788 185372056 /nfs/dbraw/zinc/37/20/56/185372056.db2.gz OZVAROYNPXDHEB-UHFFFAOYSA-N 0 0 316.364 4.344 50 0 DIAARN COc1ccccc1NC(=O)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000095457591 185370381 /nfs/dbraw/zinc/37/03/81/185370381.db2.gz GLBYSCWIDGZIOI-ZBFHGGJFSA-N 0 0 302.418 4.272 50 0 DIAARN C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccon1 ZINC000095460501 185370559 /nfs/dbraw/zinc/37/05/59/185370559.db2.gz UCJBOJDQJIBCAF-CYBMUJFWSA-N 0 0 316.364 4.458 50 0 DIAARN CCc1ccc([C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)o1 ZINC000097017325 185397577 /nfs/dbraw/zinc/39/75/77/185397577.db2.gz DBYPQKSIMLTRTN-STQMWFEESA-N 0 0 311.385 4.304 50 0 DIAARN COc1ccccc1[C@@H](C)N(C)C(=O)/C=C\c1ccccc1F ZINC000097026511 185398723 /nfs/dbraw/zinc/39/87/23/185398723.db2.gz RTNNOTWCVJOTCW-WUFNSSIPSA-N 0 0 313.372 4.067 50 0 DIAARN C[C@@H](NC(=O)/C=C\c1ccccc1)c1ccccc1OC(F)F ZINC000097026850 185398753 /nfs/dbraw/zinc/39/87/53/185398753.db2.gz GMPDWYSBXBWHLF-YLGBQOPLSA-N 0 0 317.335 4.179 50 0 DIAARN COc1ccccc1[C@H](C)N(C)C(=O)/C=C\c1ccccc1F ZINC000097026510 185398806 /nfs/dbraw/zinc/39/88/06/185398806.db2.gz RTNNOTWCVJOTCW-DINCDJDBSA-N 0 0 313.372 4.067 50 0 DIAARN CN(Cc1cn(C)nc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000095468656 185372413 /nfs/dbraw/zinc/37/24/13/185372413.db2.gz HNXLMDGTMDFXDG-UHFFFAOYSA-N 0 0 313.351 4.002 50 0 DIAARN CCc1nnc(CNc2ccc(-c3cccc(F)c3)c(F)c2)o1 ZINC000097085452 185407586 /nfs/dbraw/zinc/40/75/86/185407586.db2.gz LOUGUXBHPQYLQD-UHFFFAOYSA-N 0 0 315.323 4.189 50 0 DIAARN CCCc1ccccc1NC(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000024504643 190649957 /nfs/dbraw/zinc/64/99/57/190649957.db2.gz TZNQPXKHTJNHCH-UHFFFAOYSA-N 0 0 321.380 4.250 50 0 DIAARN Cc1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000027026699 190653880 /nfs/dbraw/zinc/65/38/80/190653880.db2.gz HNITWUACRGURCP-CQSZACIVSA-N 0 0 301.817 4.458 50 0 DIAARN Cc1noc2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102739627 185419794 /nfs/dbraw/zinc/41/97/94/185419794.db2.gz BJZJSCSLARWSIL-OAHLLOKOSA-N 0 0 309.369 4.228 50 0 DIAARN Cc1noc2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102739629 185420019 /nfs/dbraw/zinc/42/00/19/185420019.db2.gz BJZJSCSLARWSIL-HNNXBMFYSA-N 0 0 309.369 4.228 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2Br)C1 ZINC000048312033 190676960 /nfs/dbraw/zinc/67/69/60/190676960.db2.gz LBUFULDSXKVZDQ-GHMZBOCLSA-N 0 0 311.223 4.149 50 0 DIAARN Cc1ccc(-c2noc3c2ncnc3NCc2ccccc2)cc1 ZINC000064658368 190703050 /nfs/dbraw/zinc/70/30/50/190703050.db2.gz ACMFJKROYOBESX-UHFFFAOYSA-N 0 0 316.364 4.205 50 0 DIAARN Cc1n[nH]c(C)c1Cn1cnc(-c2ccccc2)c1-c1ccco1 ZINC000067643417 190712159 /nfs/dbraw/zinc/71/21/59/190712159.db2.gz NFFSWELVPIDDTR-UHFFFAOYSA-N 0 0 318.380 4.198 50 0 DIAARN C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000080345938 192150647 /nfs/dbraw/zinc/15/06/47/192150647.db2.gz UHNMVJXEFCRWMV-NSHDSACASA-N 0 0 324.207 4.191 50 0 DIAARN C[C@H](SCCCc1ccccc1)C(=O)NCc1cccs1 ZINC000070858610 190920611 /nfs/dbraw/zinc/92/06/11/190920611.db2.gz BUMAYCYMHJKYPI-AWEZNQCLSA-N 0 0 319.495 4.119 50 0 DIAARN CCc1cc2c(ncnc2N(Cc2cccs2)C2CC2)s1 ZINC000083820512 192384696 /nfs/dbraw/zinc/38/46/96/192384696.db2.gz KIFSLZCVTWESHF-UHFFFAOYSA-N 0 0 315.467 4.484 50 0 DIAARN CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C)cn1 ZINC000084071446 192399507 /nfs/dbraw/zinc/39/95/07/192399507.db2.gz LRJQHXOIAUVPBL-UHFFFAOYSA-N 0 0 306.818 4.408 50 0 DIAARN CCSc1ccc(Cl)cc1C(=O)N(C)c1ccccn1 ZINC000084084262 192401595 /nfs/dbraw/zinc/40/15/95/192401595.db2.gz NVGLDEPVIQOSRA-UHFFFAOYSA-N 0 0 306.818 4.124 50 0 DIAARN Cc1ccsc1-c1nccn1CCc1nc(C)c(C)s1 ZINC000071662693 191000277 /nfs/dbraw/zinc/00/02/77/191000277.db2.gz JKWDNJBTOSFVSB-UHFFFAOYSA-N 0 0 303.456 4.236 50 0 DIAARN Cc1c[nH]c(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)c1 ZINC000071738848 191018945 /nfs/dbraw/zinc/01/89/45/191018945.db2.gz FJNGXNWJRGATDP-KRWDZBQOSA-N 0 0 310.441 4.117 50 0 DIAARN C[C@](O)(Cc1ccccc1)[C@H](c1ccccc1)c1ccccn1 ZINC000071767150 191029186 /nfs/dbraw/zinc/02/91/86/191029186.db2.gz QBEJZUUBBPSLBX-RTWAWAEBSA-N 0 0 303.405 4.207 50 0 DIAARN CCN(C(=O)CCc1csc(C)n1)[C@@H](C)c1ccc(F)cc1 ZINC000071903474 191032041 /nfs/dbraw/zinc/03/20/41/191032041.db2.gz UKGSCTFUYBHOHJ-LBPRGKRZSA-N 0 0 320.433 4.133 50 0 DIAARN Fc1cccc(F)c1CC[C@@H]1CCCN(Cc2cscn2)C1 ZINC000072138840 191047496 /nfs/dbraw/zinc/04/74/96/191047496.db2.gz JPUYPWBNDPDDLF-ZDUSSCGKSA-N 0 0 322.424 4.266 50 0 DIAARN CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cnccn1 ZINC000084625276 192447617 /nfs/dbraw/zinc/44/76/17/192447617.db2.gz CWSSBGUHVWVCBO-CMDGGOBGSA-N 0 0 309.413 4.375 50 0 DIAARN CC(C)(C)OC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000140376851 186026574 /nfs/dbraw/zinc/02/65/74/186026574.db2.gz UMIMQVCDCFYAPG-UHFFFAOYSA-N 0 0 308.378 4.381 50 0 DIAARN C[C@H](O)c1cccc(-c2cc(NC3CCCC3)nc3[nH]ccc32)n1 ZINC000072159048 191062612 /nfs/dbraw/zinc/06/26/12/191062612.db2.gz QSNDILIZCSJFMJ-LBPRGKRZSA-N 0 0 322.412 4.033 50 0 DIAARN COc1cc(CSCc2cc(C)on2)ccc1OC(F)F ZINC000072230524 191078508 /nfs/dbraw/zinc/07/85/08/191078508.db2.gz SNKGPNZJPKROKE-UHFFFAOYSA-N 0 0 315.341 4.026 50 0 DIAARN CC(C)Oc1cc(C(=O)NCc2ccccc2)cc2occc21 ZINC000072240207 191083865 /nfs/dbraw/zinc/08/38/65/191083865.db2.gz ISSRQSSGOJSSSO-UHFFFAOYSA-N 0 0 309.365 4.150 50 0 DIAARN CCOc1cc(C(=O)Nc2nc(C)c(C)s2)cc2occc21 ZINC000072240104 191084539 /nfs/dbraw/zinc/08/45/39/191084539.db2.gz NWLJUBQYSCUWAY-UHFFFAOYSA-N 0 0 316.382 4.157 50 0 DIAARN CN(Cc1cccs1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000072260074 191088709 /nfs/dbraw/zinc/08/87/09/191088709.db2.gz ZLMCYQWMEWTFHB-UHFFFAOYSA-N 0 0 313.378 4.406 50 0 DIAARN Cc1ncc(NC(=O)CCCc2ccccc2)c(C)c1Cl ZINC000072265152 191089386 /nfs/dbraw/zinc/08/93/86/191089386.db2.gz NCAWAFCXGSHJAB-UHFFFAOYSA-N 0 0 302.805 4.313 50 0 DIAARN CCCC(O)(CCC)CC(=O)N(C)Cc1ccccc1Cl ZINC000084740384 192463839 /nfs/dbraw/zinc/46/38/39/192463839.db2.gz HNWVZCVJQBRRRO-UHFFFAOYSA-N 0 0 311.853 4.020 50 0 DIAARN C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072285834 191105129 /nfs/dbraw/zinc/10/51/29/191105129.db2.gz ISFNZCCWGACJCG-ZBFHGGJFSA-N 0 0 314.454 4.076 50 0 DIAARN Cc1cccc(CCC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000072285958 191105533 /nfs/dbraw/zinc/10/55/33/191105533.db2.gz RYGXLFUJRGEYDT-INIZCTEOSA-N 0 0 314.454 4.138 50 0 DIAARN COC(C)(C)C[C@@H](C)NC(=O)c1oc2ccc(Cl)cc2c1C ZINC000072296864 191111886 /nfs/dbraw/zinc/11/18/86/191111886.db2.gz FIROANKSKKMLIX-SNVBAGLBSA-N 0 0 323.820 4.328 50 0 DIAARN C[C@H](C(=O)N1CCCC[C@H]1c1nccs1)c1cccc(F)c1 ZINC000072297165 191112939 /nfs/dbraw/zinc/11/29/39/191112939.db2.gz GCNBLAABFYCHKV-WFASDCNBSA-N 0 0 318.417 4.140 50 0 DIAARN FC(F)(F)c1ccc(N2CCCC[C@@H]2c2ccccc2)nn1 ZINC000225603045 186282171 /nfs/dbraw/zinc/28/21/71/186282171.db2.gz ZKIPIRBFKIULAT-CYBMUJFWSA-N 0 0 307.319 4.227 50 0 DIAARN Cn1cccc1CN(C(=O)c1cc2ccccc2s1)C1CC1 ZINC000225617440 186283734 /nfs/dbraw/zinc/28/37/34/186283734.db2.gz OPZDBGSUICDFIX-UHFFFAOYSA-N 0 0 310.422 4.045 50 0 DIAARN CC[C@@H](C(=O)NCc1ccnc(-c2ccco2)c1)c1ccccc1 ZINC000225654376 186287427 /nfs/dbraw/zinc/28/74/27/186287427.db2.gz ASPCQTRZTNVIHE-QGZVFWFLSA-N 0 0 320.392 4.152 50 0 DIAARN CC(=O)c1ccc(CCNC(=O)c2cccc3ccccc32)s1 ZINC000225670816 186288126 /nfs/dbraw/zinc/28/81/26/186288126.db2.gz ZITJCZQCTLJIHH-UHFFFAOYSA-N 0 0 323.417 4.076 50 0 DIAARN Cc1nnc([C@H](C)N[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000253392352 186302808 /nfs/dbraw/zinc/30/28/08/186302808.db2.gz GNYOEYRLBWPPSI-OLZOCXBDSA-N 0 0 303.475 4.457 50 0 DIAARN Cc1cnc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)cn1 ZINC000072302991 191116262 /nfs/dbraw/zinc/11/62/62/191116262.db2.gz FLPKLPRRYKNLOE-QGZVFWFLSA-N 0 0 319.493 4.488 50 0 DIAARN c1coc(-c2nc3ccccc3c(SC[C@@H]3CCCO3)n2)c1 ZINC000072303366 191116798 /nfs/dbraw/zinc/11/67/98/191116798.db2.gz GRQXMNMHFOJGQZ-LBPRGKRZSA-N 0 0 312.394 4.161 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3C)n3ncnc3N2)cc1 ZINC000072332458 191125001 /nfs/dbraw/zinc/12/50/01/191125001.db2.gz SRGVJYOKDWFXBV-MOPGFXCFSA-N 0 0 318.424 4.350 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1C ZINC000072333092 191125473 /nfs/dbraw/zinc/12/54/73/191125473.db2.gz DVUVOAKMPNVVAS-ZWKOTPCHSA-N 0 0 322.387 4.180 50 0 DIAARN CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000000027607 180670506 /nfs/dbraw/zinc/67/05/06/180670506.db2.gz XCTKVHNXJIFHEP-RTBURBONSA-N 0 0 308.425 4.275 50 0 DIAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000061932 180680629 /nfs/dbraw/zinc/68/06/29/180680629.db2.gz BLCXKRDRGWGVGS-MRXNPFEDSA-N 0 0 319.813 4.127 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000000063102 180681316 /nfs/dbraw/zinc/68/13/16/180681316.db2.gz CSRFKIZVTIGBKU-INIZCTEOSA-N 0 0 303.814 4.427 50 0 DIAARN c1cc2ccc(N[C@@H]3CCC[C@H]3OCc3ccccc3)nc2[nH]1 ZINC000072411298 191153616 /nfs/dbraw/zinc/15/36/16/191153616.db2.gz KINKMWMGHNNMHT-IAGOWNOFSA-N 0 0 307.397 4.113 50 0 DIAARN COc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000000068961 180682909 /nfs/dbraw/zinc/68/29/09/180682909.db2.gz ZOHDDYIKYMGLDE-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN CSc1cccc(NC(=S)NCc2ccc(F)cc2)c1 ZINC000000069384 180682984 /nfs/dbraw/zinc/68/29/84/180682984.db2.gz MSUOGUDXBBJXGF-UHFFFAOYSA-N 0 0 306.431 4.034 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(Cl)cc1 ZINC000000070761 180683659 /nfs/dbraw/zinc/68/36/59/180683659.db2.gz QSZPGCWECBZWJH-NTEUORMPSA-N 0 0 318.159 4.338 50 0 DIAARN Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000038478 180674802 /nfs/dbraw/zinc/67/48/02/180674802.db2.gz VHXWGLGXWIJSSF-UHFFFAOYSA-N 0 0 311.164 4.286 50 0 DIAARN O=c1oc(-c2ccc(F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000000041108 180675527 /nfs/dbraw/zinc/67/55/27/180675527.db2.gz SBEGVBVTMXTHJK-UHFFFAOYSA-N 0 0 310.111 4.301 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)CSc2ccccn2)cc1 ZINC000000044038 180676054 /nfs/dbraw/zinc/67/60/54/180676054.db2.gz VYFRWIVTJWMADJ-CYBMUJFWSA-N 0 0 300.427 4.326 50 0 DIAARN Cc1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 ZINC000000045897 180676944 /nfs/dbraw/zinc/67/69/44/180676944.db2.gz FHXPCNBQIWJPAK-JXMROGBWSA-N 0 0 317.182 4.376 50 0 DIAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3[nH]2)c(C)c1 ZINC000000048367 180677554 /nfs/dbraw/zinc/67/75/54/180677554.db2.gz CRBILBQAHAMUTC-UHFFFAOYSA-N 0 0 310.422 4.463 50 0 DIAARN CC(C)n1cc(CCC(=O)Nc2ccccn2)c2ccccc21 ZINC000072403282 191151359 /nfs/dbraw/zinc/15/13/59/191151359.db2.gz JDUMCKQPJKDQJQ-UHFFFAOYSA-N 0 0 307.397 4.189 50 0 DIAARN FC(F)(F)c1ccccc1-n1nnnc1-c1ccccc1Cl ZINC000000077818 180685801 /nfs/dbraw/zinc/68/58/01/180685801.db2.gz GPAMNNOEWUKZDF-UHFFFAOYSA-N 0 0 324.693 4.002 50 0 DIAARN COc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1 ZINC000000079877 180686257 /nfs/dbraw/zinc/68/62/57/180686257.db2.gz QGXOVVRJEQEVEJ-KRWDZBQOSA-N 0 0 303.361 4.323 50 0 DIAARN O=C(NCc1sccc1Cl)Nc1cccc(Cl)c1 ZINC000000082299 180686735 /nfs/dbraw/zinc/68/67/35/180686735.db2.gz IUYIXTDLVWARDA-UHFFFAOYSA-N 0 0 301.198 4.377 50 0 DIAARN C[C@H](C(=O)N(C)Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000072417903 191155935 /nfs/dbraw/zinc/15/59/35/191155935.db2.gz IRQOBWGVDZXPJB-HNNXBMFYSA-N 0 0 320.392 4.104 50 0 DIAARN Cc1ccc(Sc2ncccc2NC(=O)c2ccco2)cc1 ZINC000000084091 180687888 /nfs/dbraw/zinc/68/78/88/180687888.db2.gz IPLXYRWSVZDXIW-UHFFFAOYSA-N 0 0 310.378 4.387 50 0 DIAARN COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000000094886 180690543 /nfs/dbraw/zinc/69/05/43/180690543.db2.gz FJTMGHNVRBMXIP-JTQLQIEISA-N 0 0 324.207 4.493 50 0 DIAARN Cc1ccc2c(c1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000000097974 180691123 /nfs/dbraw/zinc/69/11/23/180691123.db2.gz KFNGBKOFSDKPTK-GFCCVEGCSA-N 0 0 305.299 4.488 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2ccccc2Br)c1 ZINC000000101503 180692609 /nfs/dbraw/zinc/69/26/09/180692609.db2.gz REZBLWBOJJELNP-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN COc1cc(C)c(-c2nccn2[C@@H]2CCCOC2)cc1C(C)C ZINC000072425205 191159189 /nfs/dbraw/zinc/15/91/89/191159189.db2.gz POHRGHHSHHABSH-OAHLLOKOSA-N 0 0 314.429 4.342 50 0 DIAARN CCOC(=O)c1c2c(sc1-n1c(C)ccc1C)CCCC2 ZINC000000116340 180698249 /nfs/dbraw/zinc/69/82/49/180698249.db2.gz FAVIXVTZAZZLCP-UHFFFAOYSA-N 0 0 303.427 4.211 50 0 DIAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC ZINC000000119851 180699534 /nfs/dbraw/zinc/69/95/34/180699534.db2.gz ZPCHEIYWHUZDBW-ZRDIBKRKSA-N 0 0 311.381 4.054 50 0 DIAARN O=C(CSc1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000000124993 180700998 /nfs/dbraw/zinc/70/09/98/180700998.db2.gz LEQHXJSUCMLXAJ-UHFFFAOYSA-N 0 0 301.795 4.271 50 0 DIAARN Cc1cccc(Cc2cnc(NC(=O)c3ccccc3)s2)c1 ZINC000000134148 180704799 /nfs/dbraw/zinc/70/47/99/180704799.db2.gz RVRVTWHLJFIREO-UHFFFAOYSA-N 0 0 308.406 4.295 50 0 DIAARN Brc1ccc2ncnc(NC3CCCCC3)c2c1 ZINC000000140118 180705474 /nfs/dbraw/zinc/70/54/74/180705474.db2.gz COQRJFLWTCXBCI-UHFFFAOYSA-N 0 0 306.207 4.137 50 0 DIAARN CC(=O)c1c(C)n(Cc2ccc(Cl)cc2)c(C)c1C(C)=O ZINC000000141872 180706586 /nfs/dbraw/zinc/70/65/86/180706586.db2.gz PPMOOBOFWGQFGC-UHFFFAOYSA-N 0 0 303.789 4.212 50 0 DIAARN Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000000127343 180701884 /nfs/dbraw/zinc/70/18/84/180701884.db2.gz QBGIEWLTLCNRED-UHFFFAOYSA-N 0 0 312.372 4.361 50 0 DIAARN FC(F)(F)c1cccc(CCNc2ccc3cc[nH]c3n2)c1 ZINC000072448273 191169836 /nfs/dbraw/zinc/16/98/36/191169836.db2.gz ZSOMJJZFDBRRGD-UHFFFAOYSA-N 0 0 305.303 4.236 50 0 DIAARN Cc1nc(CN2CCC(Sc3ccccc3C)CC2)co1 ZINC000072456980 191173105 /nfs/dbraw/zinc/17/31/05/191173105.db2.gz SWBFCSATGJXCKM-UHFFFAOYSA-N 0 0 302.443 4.048 50 0 DIAARN CN(C(=O)c1ccc(CCC(C)(C)O)cc1)C1CCCCCC1 ZINC000072456938 191173367 /nfs/dbraw/zinc/17/33/67/191173367.db2.gz JJKGXASNYLMQFK-UHFFFAOYSA-N 0 0 317.473 4.185 50 0 DIAARN O=S(=O)(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000000150204 180709246 /nfs/dbraw/zinc/70/92/46/180709246.db2.gz AGYGLZYJRAAXQE-UHFFFAOYSA-N 0 0 320.719 4.192 50 0 DIAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl ZINC000000167682 180713346 /nfs/dbraw/zinc/71/33/46/180713346.db2.gz XYMCGQGALVRHLK-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl ZINC000000170966 180713984 /nfs/dbraw/zinc/71/39/84/180713984.db2.gz RBIAGCKCFJYTQH-UHFFFAOYSA-N 0 0 311.168 4.039 50 0 DIAARN c1ccc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000000194303 180721689 /nfs/dbraw/zinc/72/16/89/180721689.db2.gz OQAURYRCFQKLJY-UHFFFAOYSA-N 0 0 301.393 4.438 50 0 biogenic DIAARN Cc1ccc(CN(Cc2ncc(C)o2)c2ccc(F)cc2)o1 ZINC000072629872 191204273 /nfs/dbraw/zinc/20/42/73/191204273.db2.gz DXVYRZKMKJXBMW-UHFFFAOYSA-N 0 0 300.333 4.230 50 0 DIAARN Cc1ccc2oc(S[C@H](C)c3nc(C4CC4)no3)nc2c1 ZINC000072626409 191204891 /nfs/dbraw/zinc/20/48/91/191204891.db2.gz VHUAZORSWGHSFG-SECBINFHSA-N 0 0 301.371 4.250 50 0 DIAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000266472 180742433 /nfs/dbraw/zinc/74/24/33/180742433.db2.gz KDQQUJUAEXDLTR-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN O=C(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000271912 180744555 /nfs/dbraw/zinc/74/45/55/180744555.db2.gz WJTLJFMQFABDJA-UHFFFAOYSA-N 0 0 313.828 4.435 50 0 DIAARN Cc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000274112 180745253 /nfs/dbraw/zinc/74/52/53/180745253.db2.gz LYHSXAWPVRCZDA-UHFFFAOYSA-N 0 0 320.421 4.193 50 0 DIAARN COc1cc(CNc2ccccc2SC)cc(OC)c1OC ZINC000000280329 180746687 /nfs/dbraw/zinc/74/66/87/180746687.db2.gz UPUYLMIOQYRHBQ-UHFFFAOYSA-N 0 0 319.426 4.046 50 0 DIAARN CC(C)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000000311405 180756058 /nfs/dbraw/zinc/75/60/58/180756058.db2.gz QDDAZUOOEGOEBU-UHFFFAOYSA-N 0 0 308.175 4.418 50 0 DIAARN Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CC[C@@H](C)C3 ZINC000000341198 180761783 /nfs/dbraw/zinc/76/17/83/180761783.db2.gz CENWFDYMJUVINS-SNVBAGLBSA-N 0 0 311.406 4.350 50 0 DIAARN O=C(Nc1ccccn1)c1sc2cc(F)ccc2c1Cl ZINC000000342458 180762028 /nfs/dbraw/zinc/76/20/28/180762028.db2.gz HVVLVKVYSLLEHZ-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000000344955 180762978 /nfs/dbraw/zinc/76/29/78/180762978.db2.gz YWKNNNXOUBDFSM-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN Cc1cc(=O)oc2cc(OCc3cccc(F)c3)c(Cl)cc12 ZINC000000317798 180758050 /nfs/dbraw/zinc/75/80/50/180758050.db2.gz LZQFYCAPHWNURJ-UHFFFAOYSA-N 0 0 318.731 4.473 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1cc(C)cc(C)c1 ZINC000000373104 180769761 /nfs/dbraw/zinc/76/97/61/180769761.db2.gz IIDRLWWVCWUHOF-UHFFFAOYSA-N 0 0 301.411 4.286 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1cccc(C)c1C ZINC000000373226 180769824 /nfs/dbraw/zinc/76/98/24/180769824.db2.gz BLIKDOPPRVIGHT-UHFFFAOYSA-N 0 0 301.411 4.286 50 0 DIAARN CCN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1OC ZINC000000373290 180770166 /nfs/dbraw/zinc/77/01/66/180770166.db2.gz VGQWDNIODPPVLT-UHFFFAOYSA-N 0 0 303.789 4.011 50 0 DIAARN Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000000381844 180772146 /nfs/dbraw/zinc/77/21/46/180772146.db2.gz NXTQCUQHAIPPCL-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1C ZINC000000385083 180773490 /nfs/dbraw/zinc/77/34/90/180773490.db2.gz IICMSQFHNYHWHD-UHFFFAOYSA-N 0 0 313.159 4.397 50 0 DIAARN Cc1nc(C)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1 ZINC000000348839 180763317 /nfs/dbraw/zinc/76/33/17/180763317.db2.gz ADHDLDUKQXDATR-UHFFFAOYSA-N 0 0 315.372 4.160 50 0 DIAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000000350629 180764136 /nfs/dbraw/zinc/76/41/36/180764136.db2.gz MORCTICFDAPHPF-UHFFFAOYSA-N 0 0 310.378 4.020 50 0 DIAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1cccnc1 ZINC000000351954 180764232 /nfs/dbraw/zinc/76/42/32/180764232.db2.gz NKXHQPWLOMSSAB-UHFFFAOYSA-N 0 0 302.333 4.162 50 0 DIAARN COc1ccc(C(=O)Oc2cccc3ccccc32)cc1OC ZINC000000363331 180767041 /nfs/dbraw/zinc/76/70/41/180767041.db2.gz YZTJOINNJSTZCX-UHFFFAOYSA-N 0 0 308.333 4.076 50 0 DIAARN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000406787 180778902 /nfs/dbraw/zinc/77/89/02/180778902.db2.gz ODWSPKDUUDFACC-IAGOWNOFSA-N 0 0 324.815 4.386 50 0 DIAARN COc1ccc(C(=O)CCSc2ccc(C)cc2)cc1OC ZINC000000409539 180779331 /nfs/dbraw/zinc/77/93/31/180779331.db2.gz BVOGXCLDSBOYRW-UHFFFAOYSA-N 0 0 316.422 4.377 50 0 DIAARN CCC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1 ZINC000000386509 180774664 /nfs/dbraw/zinc/77/46/64/180774664.db2.gz XBPKXMIAFDUGNP-UHFFFAOYSA-N 0 0 312.394 4.224 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(Br)c2C)cc1 ZINC000000396006 180776685 /nfs/dbraw/zinc/77/66/85/180776685.db2.gz OPASFTBYVVYVLF-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000000397523 180776953 /nfs/dbraw/zinc/77/69/53/180776953.db2.gz CPNYPLHNEZBZON-UHFFFAOYSA-N 0 0 319.364 4.442 50 0 DIAARN COc1ccc(-c2nc3c4ccccc4ccn3c2C(C)=O)cc1 ZINC000000434396 180789691 /nfs/dbraw/zinc/78/96/91/180789691.db2.gz JVCXXNHCRDXBFC-UHFFFAOYSA-N 0 0 316.360 4.366 50 0 DIAARN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1OCC ZINC000000434474 180789946 /nfs/dbraw/zinc/78/99/46/180789946.db2.gz IFKNIZAVMSWRKG-UHFFFAOYSA-N 0 0 313.397 4.353 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1C ZINC000000423748 180785102 /nfs/dbraw/zinc/78/51/02/180785102.db2.gz PSXORZVPAXNAII-QGZVFWFLSA-N 0 0 301.386 4.221 50 0 DIAARN COc1cc(NC(=O)CCC2CCCC2)c(OC)cc1Cl ZINC000000460637 180798050 /nfs/dbraw/zinc/79/80/50/180798050.db2.gz OWZKFMWOMQOATF-UHFFFAOYSA-N 0 0 311.809 4.266 50 0 DIAARN CC(C)(C)c1ccc(OC2=CS(=O)(=O)c3ccccc32)cc1 ZINC000000460066 180798058 /nfs/dbraw/zinc/79/80/58/180798058.db2.gz MZCJUXLIDBJJRG-UHFFFAOYSA-N 0 0 314.406 4.149 50 0 DIAARN O=C(Nc1cccc(NC2CCCC2)c1)c1ccncc1Cl ZINC000072913282 191250464 /nfs/dbraw/zinc/25/04/64/191250464.db2.gz KKWIKGGUAVSXLJ-UHFFFAOYSA-N 0 0 315.804 4.342 50 0 DIAARN O=C(CSc1ncccn1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000000468980 180800350 /nfs/dbraw/zinc/80/03/50/180800350.db2.gz WAHLZLQQVAHSKK-UHFFFAOYSA-N 0 0 318.401 4.023 50 0 DIAARN O=C(NC1CCCCCCC1)c1ccccc1Br ZINC000000443984 180792904 /nfs/dbraw/zinc/79/29/04/180792904.db2.gz UJTSBATWDNDUJP-UHFFFAOYSA-N 0 0 310.235 4.292 50 0 DIAARN Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2)n1 ZINC000000445227 180793882 /nfs/dbraw/zinc/79/38/82/180793882.db2.gz DAOLPCAAUZFVNR-UHFFFAOYSA-N 0 0 304.349 4.435 50 0 DIAARN CCc1cccc(NC(=O)CCC(=O)Nc2cccc(CC)c2)c1 ZINC000000475414 180802549 /nfs/dbraw/zinc/80/25/49/180802549.db2.gz CVRSRPYLVMRXRC-UHFFFAOYSA-N 0 0 324.424 4.169 50 0 DIAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)C ZINC000000474998 180802853 /nfs/dbraw/zinc/80/28/53/180802853.db2.gz NGYNFSZQPGDGAI-UHFFFAOYSA-N 0 0 304.393 4.348 50 0 DIAARN COc1ccc(CNc2ccc(C)cc2)cc1Br ZINC000000479302 180803924 /nfs/dbraw/zinc/80/39/24/180803924.db2.gz JGZCSYSLWDXQDZ-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN COc1ccccc1OC(=O)c1cc(Cl)nc2ccccc21 ZINC000000482341 180804454 /nfs/dbraw/zinc/80/44/54/180804454.db2.gz LSJXDAXOVGUNQV-UHFFFAOYSA-N 0 0 313.740 4.116 50 0 DIAARN Cc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 ZINC000000483283 180804648 /nfs/dbraw/zinc/80/46/48/180804648.db2.gz TWLSGPFMVNIQSJ-UHFFFAOYSA-N 0 0 304.393 4.348 50 0 DIAARN Cc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)s1 ZINC000000483651 180805436 /nfs/dbraw/zinc/80/54/36/180805436.db2.gz LMYCQFOWIXRSQB-UHFFFAOYSA-N 0 0 310.422 4.410 50 0 DIAARN COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC ZINC000000496714 180807386 /nfs/dbraw/zinc/80/73/86/180807386.db2.gz HFLYWBXCARIYJY-UHFFFAOYSA-N 0 0 310.353 4.038 50 0 aggregator DIAARN CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(CC)n1 ZINC000000498679 180808043 /nfs/dbraw/zinc/80/80/43/180808043.db2.gz HSTLTOTWYRUGIB-UHFFFAOYSA-N 0 0 309.369 4.068 50 0 DIAARN CC(=O)c1c(C)nc2ccccc2c1NC(=O)c1ccc(F)cc1 ZINC000000520411 180811706 /nfs/dbraw/zinc/81/17/06/180811706.db2.gz PTRHSZQUXSZMOA-UHFFFAOYSA-N 0 0 322.339 4.137 50 0 DIAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000000555053 180820406 /nfs/dbraw/zinc/82/04/06/180820406.db2.gz ZLDRQASALOMPJT-AWEZNQCLSA-N 0 0 313.422 4.317 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)c(C)c1 ZINC000000557879 180821312 /nfs/dbraw/zinc/82/13/12/180821312.db2.gz LMCRWZHVZRWKOL-UHFFFAOYSA-N 0 0 319.202 4.022 50 0 DIAARN CC(=O)c1c(=O)n(C)c2ccc(Cl)cc2c1-c1ccccc1 ZINC000000815682 180834946 /nfs/dbraw/zinc/83/49/46/180834946.db2.gz KECXYNJOPPYALX-UHFFFAOYSA-N 0 0 311.768 4.062 50 0 DIAARN COc1ccc(C(C)=O)cc1COc1cccc2cccnc21 ZINC000000614154 180829451 /nfs/dbraw/zinc/82/94/51/180829451.db2.gz IZIJGLUSYWIJOI-UHFFFAOYSA-N 0 0 307.349 4.025 50 0 DIAARN O=C(CCNc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000000732266 180832313 /nfs/dbraw/zinc/83/23/13/180832313.db2.gz MUCLQPDKMZMCMD-UHFFFAOYSA-N 0 0 313.706 4.442 50 0 DIAARN CCCC(=O)Nc1nn(CCC)c2nc3cc(C)ccc3cc12 ZINC000001292359 180854115 /nfs/dbraw/zinc/85/41/15/180854115.db2.gz HRBASZYMTCIPDC-UHFFFAOYSA-N 0 0 310.401 4.042 50 0 DIAARN Brc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000001070554 180845344 /nfs/dbraw/zinc/84/53/44/180845344.db2.gz VKNPDIPCBMHIGD-UHFFFAOYSA-N 0 0 307.172 4.228 50 0 DIAARN CC(=O)N1N=C(c2cccs2)C[C@@H]1c1c(F)cccc1Cl ZINC000001077282 180845773 /nfs/dbraw/zinc/84/57/73/180845773.db2.gz DNGMUGINNDZSDR-CYBMUJFWSA-N 0 0 322.792 4.238 50 0 DIAARN Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000001075209 180846040 /nfs/dbraw/zinc/84/60/40/180846040.db2.gz NCVXRUZMDQBNFT-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN Cc1cc(C(C)(C)c2ccc(OC#N)c(C)c2)ccc1OC#N ZINC000001233391 180850782 /nfs/dbraw/zinc/85/07/82/180850782.db2.gz HMIPTJCEKMBTKV-UHFFFAOYSA-N 0 0 306.365 4.349 50 0 DIAARN COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001396682 180860693 /nfs/dbraw/zinc/86/06/93/180860693.db2.gz VCZBEOFVMCBSAS-UHFFFAOYSA-N 0 0 301.695 4.353 50 0 DIAARN COCc1cc(Sc2ccc(Cl)cc2)nc(SC)n1 ZINC000001389097 180859112 /nfs/dbraw/zinc/85/91/12/180859112.db2.gz BUHKCVPGDXBMMR-UHFFFAOYSA-N 0 0 312.847 4.150 50 0 DIAARN Cc1cc(C)cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000001391273 180859564 /nfs/dbraw/zinc/85/95/64/180859564.db2.gz DMEKZZAZZYDKGA-UHFFFAOYSA-N 0 0 307.315 4.252 50 0 DIAARN O=C(OCc1cnc(Cl)s1)c1cccc(Cl)c1Cl ZINC000001392613 180859751 /nfs/dbraw/zinc/85/97/51/180859751.db2.gz HHAXGYKWAMWSJK-UHFFFAOYSA-N 0 0 322.600 4.460 50 0 DIAARN O=C(NCCc1cccs1)C(c1ccccc1)c1ccccc1 ZINC000001428293 180866033 /nfs/dbraw/zinc/86/60/33/180866033.db2.gz YUXQHRXMMVLUFX-UHFFFAOYSA-N 0 0 321.445 4.239 50 0 DIAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000001778135 180895870 /nfs/dbraw/zinc/89/58/70/180895870.db2.gz KTNKHWCVUZNYMU-VGOFMYFVSA-N 0 0 324.424 4.193 50 0 DIAARN COc1ccccc1NC(=O)CCCOc1cccc(C)c1C ZINC000001786383 180896779 /nfs/dbraw/zinc/89/67/79/180896779.db2.gz LHZGVMBJVHFGRW-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN COCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001807492 180897405 /nfs/dbraw/zinc/89/74/05/180897405.db2.gz ZOSIIGZBHYIOEL-UHFFFAOYSA-N 0 0 313.788 4.009 50 0 DIAARN CCCCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000001801413 180897498 /nfs/dbraw/zinc/89/74/98/180897498.db2.gz SNOGMZFJMZDDHU-UHFFFAOYSA-N 0 0 311.381 4.204 50 0 DIAARN Cc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 ZINC000001937417 180903152 /nfs/dbraw/zinc/90/31/52/180903152.db2.gz NYHGZIXUQPPHTF-MDZDMXLPSA-N 0 0 316.198 4.409 50 0 DIAARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000001940316 180903470 /nfs/dbraw/zinc/90/34/70/180903470.db2.gz GGUGBYBVPRRJAB-NSHDSACASA-N 0 0 323.458 4.178 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000001986216 180904827 /nfs/dbraw/zinc/90/48/27/180904827.db2.gz HKAZOTRJOGBNKM-BJMVGYQFSA-N 0 0 317.772 4.009 50 0 DIAARN CCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000002086041 180909646 /nfs/dbraw/zinc/90/96/46/180909646.db2.gz FCMHDOIEMNSOIT-UHFFFAOYSA-N 0 0 310.422 4.412 50 0 DIAARN CCc1ccc(OCCCn2c3ccccc3nc2[C@H](C)O)cc1 ZINC000001926788 180902291 /nfs/dbraw/zinc/90/22/91/180902291.db2.gz QQQIUMSIKXPPEK-HNNXBMFYSA-N 0 0 324.424 4.121 50 0 DIAARN O=C(Nc1ccccc1F)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002188937 180914444 /nfs/dbraw/zinc/91/44/44/180914444.db2.gz DQOWDQIAPWGAKS-OAHLLOKOSA-N 0 0 324.182 4.280 50 0 DIAARN CCCOc1nnc(-c2ccc(OCC)cc2)c2ccccc21 ZINC000002220704 180915840 /nfs/dbraw/zinc/91/58/40/180915840.db2.gz UPZTZZYOMVTJBR-UHFFFAOYSA-N 0 0 308.381 4.484 50 0 DIAARN Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000002219622 180916021 /nfs/dbraw/zinc/91/60/21/180916021.db2.gz RCKSTRVCFRYDFV-UHFFFAOYSA-N 0 0 312.800 4.102 50 0 biogenic DIAARN O=C(NCCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002234927 180916244 /nfs/dbraw/zinc/91/62/44/180916244.db2.gz RLMGKXOWTFSAAV-UHFFFAOYSA-N 0 0 315.416 4.177 50 0 DIAARN Cc1cc(=O)oc2cc(OCCSc3ccccc3)ccc12 ZINC000002261576 180917103 /nfs/dbraw/zinc/91/71/03/180917103.db2.gz AICAZXGESCZARP-UHFFFAOYSA-N 0 0 312.390 4.273 50 0 biogenic DIAARN CCCNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002314341 180918943 /nfs/dbraw/zinc/91/89/43/180918943.db2.gz DSMUWWMAZBAIGT-UHFFFAOYSA-N 0 0 313.184 4.097 50 0 DIAARN Cn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 ZINC000002446663 180924448 /nfs/dbraw/zinc/92/44/48/180924448.db2.gz INRUVKZGFUXRCS-UHFFFAOYSA-N 0 0 315.829 4.428 50 0 DIAARN CC(C)c1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000002469478 180925580 /nfs/dbraw/zinc/92/55/80/180925580.db2.gz QSPTXESVBAKNMH-AWEZNQCLSA-N 0 0 309.365 4.013 50 0 DIAARN Cc1ccc(SCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000002531691 180932615 /nfs/dbraw/zinc/93/26/15/180932615.db2.gz QCAUXDGFYYTEIM-UHFFFAOYSA-N 0 0 300.379 4.089 50 0 DIAARN O=C(c1ccc(CN2CCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514642 180929968 /nfs/dbraw/zinc/92/99/68/180929968.db2.gz RKPFAEXMXHLUSW-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN COc1ccccc1CCC(=O)c1ccc(Br)cc1 ZINC000002516456 180930125 /nfs/dbraw/zinc/93/01/25/180930125.db2.gz IMZGGKWXPUBTIE-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN CCOC(=O)c1cccc(C(=O)CCc2cccc(C)c2C)c1 ZINC000002517430 180930476 /nfs/dbraw/zinc/93/04/76/180930476.db2.gz BJIKAHKPHGPVGF-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN CCOC(=O)c1ccccc1C(=O)CCc1ccc(Cl)cc1 ZINC000002517273 180930800 /nfs/dbraw/zinc/93/08/00/180930800.db2.gz YROVSTFYHXSTDW-UHFFFAOYSA-N 0 0 316.784 4.332 50 0 DIAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccnc(N)n1 ZINC000002597295 180938609 /nfs/dbraw/zinc/93/86/09/180938609.db2.gz BVYRKAQWNQTLLA-GFCCVEGCSA-N 0 0 309.344 4.005 50 0 DIAARN COc1ccc(C=O)cc1COc1c(Cl)cccc1Cl ZINC000002536942 180933091 /nfs/dbraw/zinc/93/30/91/180933091.db2.gz XYCPUBJXMFFJPH-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN Fc1ccc(CSc2nnc(-c3ccco3)o2)c(Cl)c1 ZINC000002635919 180942495 /nfs/dbraw/zinc/94/24/95/180942495.db2.gz KPRKJJBGHTWMPT-UHFFFAOYSA-N 0 0 310.737 4.414 50 0 DIAARN O=C(OCc1csc(-c2ccccc2)n1)c1cccs1 ZINC000002651739 180943990 /nfs/dbraw/zinc/94/39/90/180943990.db2.gz VSNDBKLNDMGCTD-UHFFFAOYSA-N 0 0 301.392 4.229 50 0 DIAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002663447 180946256 /nfs/dbraw/zinc/94/62/56/180946256.db2.gz AJDPPNCKUDZUSB-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN c1ccc2c(c1)cccc2CSc1n[nH]c(-c2ccncc2)n1 ZINC000002628058 180940949 /nfs/dbraw/zinc/94/09/49/180940949.db2.gz PPOMIPWXEHZHBI-UHFFFAOYSA-N 0 0 318.405 4.312 50 0 DIAARN CC(C)CCNC(=O)COc1ccc(Cl)c2ccccc12 ZINC000002633523 180941715 /nfs/dbraw/zinc/94/17/15/180941715.db2.gz ULJWFNYROBSYML-UHFFFAOYSA-N 0 0 305.805 4.034 50 0 DIAARN CCN(CC)C(=O)c1ccccc1COc1ccc(F)cc1F ZINC000002729994 180949853 /nfs/dbraw/zinc/94/98/53/180949853.db2.gz HZMDRGMCSJUTES-UHFFFAOYSA-N 0 0 319.351 4.026 50 0 DIAARN CC(C)(C)NC(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000002752249 180952426 /nfs/dbraw/zinc/95/24/26/180952426.db2.gz FHHUHANCDHAKGH-UHFFFAOYSA-N 0 0 317.816 4.447 50 0 DIAARN Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000002862830 180964836 /nfs/dbraw/zinc/96/48/36/180964836.db2.gz ZWTUJLLNIOTNHY-UHFFFAOYSA-N 0 0 317.816 4.074 50 0 DIAARN CCc1ccc(OCCCCOc2ccccc2OC)cc1 ZINC000002904444 180969014 /nfs/dbraw/zinc/96/90/14/180969014.db2.gz AIWGETSVELTBRZ-UHFFFAOYSA-N 0 0 300.398 4.496 50 0 DIAARN CC(C)CCC[C@@H](C)NC(=O)c1cccc(Br)c1 ZINC000002991903 180975458 /nfs/dbraw/zinc/97/54/58/180975458.db2.gz WXAVBLFZDVOGSM-GFCCVEGCSA-N 0 0 312.251 4.394 50 0 DIAARN Cc1c(Br)c2c(n1-c1ccc(C)cc1)CCCC2=O ZINC000003192989 180989960 /nfs/dbraw/zinc/98/99/60/180989960.db2.gz UBWJJUNOYTYUMC-UHFFFAOYSA-N 0 0 318.214 4.376 50 0 DIAARN O=C(CSC1=NCCS1)c1cc(Cl)ccc1Cl ZINC000003257481 180997431 /nfs/dbraw/zinc/99/74/31/180997431.db2.gz DZLUPVFPBWXRGX-UHFFFAOYSA-N 0 0 306.239 4.012 50 0 DIAARN CCN(c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(C)C ZINC000003328569 181006281 /nfs/dbraw/zinc/00/62/81/181006281.db2.gz XUZQLMRQNYSREI-UHFFFAOYSA-N 0 0 317.820 4.222 50 0 DIAARN CSc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000003328145 181006285 /nfs/dbraw/zinc/00/62/85/181006285.db2.gz GBXYPLGBRXKWTR-UHFFFAOYSA-N 0 0 321.467 4.333 50 0 DIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1F ZINC000003326425 181005439 /nfs/dbraw/zinc/00/54/39/181005439.db2.gz ZSAWJIIUOQFIAX-UHFFFAOYSA-N 0 0 321.417 4.232 50 0 DIAARN CCOc1ccc(NC(=S)NCc2cccc(Cl)c2)cc1 ZINC000003325937 181005727 /nfs/dbraw/zinc/00/57/27/181005727.db2.gz QZVDDMDQYOBMKS-UHFFFAOYSA-N 0 0 320.845 4.225 50 0 DIAARN COc1ccc(-c2csc(NC3CCCC3)n2)c(OC)c1 ZINC000003326928 181006078 /nfs/dbraw/zinc/00/60/78/181006078.db2.gz VADSEOLLDFKJCD-UHFFFAOYSA-N 0 0 304.415 4.182 50 0 DIAARN COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1Cl ZINC000003279621 180999596 /nfs/dbraw/zinc/99/95/96/180999596.db2.gz ICAMPJZXJHDSHQ-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1OCC ZINC000003282382 181000050 /nfs/dbraw/zinc/00/00/50/181000050.db2.gz JRDPKNJOIVRYMK-CSKARUKUSA-N 0 0 317.410 4.197 50 0 DIAARN Cc1ccc(N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003285311 181000121 /nfs/dbraw/zinc/00/01/21/181000121.db2.gz CLSIEHPILBUCNF-GFCCVEGCSA-N 0 0 322.330 4.453 50 0 DIAARN Cc1csc(SCC(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000003288972 181001040 /nfs/dbraw/zinc/00/10/40/181001040.db2.gz TYRFOACNPZKOHZ-UHFFFAOYSA-N 0 0 320.483 4.480 50 0 DIAARN O=C(Cc1c(Cl)cccc1Cl)N1CCc2ccccc21 ZINC000003294080 181001370 /nfs/dbraw/zinc/00/13/70/181001370.db2.gz MLCOVBPOMMRSHV-UHFFFAOYSA-N 0 0 306.192 4.125 50 0 DIAARN CCOc1ccccc1NCC(=O)Nc1cc(C)ccc1Cl ZINC000003296547 181001384 /nfs/dbraw/zinc/00/13/84/181001384.db2.gz ALUMJKDBYWFVHE-UHFFFAOYSA-N 0 0 318.804 4.098 50 0 DIAARN CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000003295057 181001658 /nfs/dbraw/zinc/00/16/58/181001658.db2.gz PNMNEERHUMCIOG-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN Cc1cc(NC(=O)/C=C/c2cccs2)ccc1Br ZINC000003311017 181002626 /nfs/dbraw/zinc/00/26/26/181002626.db2.gz QOIKWYPCJAWGPI-FNORWQNLSA-N 0 0 322.227 4.471 50 0 DIAARN CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC000003311228 181002660 /nfs/dbraw/zinc/00/26/60/181002660.db2.gz QNYWPVWSJJKVFS-UHFFFAOYSA-N 0 0 316.817 4.013 50 0 DIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(F)c(F)cc1Cl ZINC000003305495 181002794 /nfs/dbraw/zinc/00/27/94/181002794.db2.gz RMYLPBXYSNSHDA-VIFPVBQESA-N 0 0 307.727 4.210 50 0 DIAARN CC(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 ZINC000003312572 181003682 /nfs/dbraw/zinc/00/36/82/181003682.db2.gz ARJVQYRKOTWUBD-UHFFFAOYSA-N 0 0 313.422 4.400 50 0 DIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCC1 ZINC000003378582 181013523 /nfs/dbraw/zinc/01/35/23/181013523.db2.gz KTLLFPSVEJGISK-UHFFFAOYSA-N 0 0 308.353 4.217 50 0 DIAARN Cc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003378987 181013753 /nfs/dbraw/zinc/01/37/53/181013753.db2.gz SUNZQZQWLPRLPS-UHFFFAOYSA-N 0 0 301.289 4.207 50 0 DIAARN CN(C)c1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000003342104 181008372 /nfs/dbraw/zinc/00/83/72/181008372.db2.gz UGSAMHSSIXUMKZ-UHFFFAOYSA-N 0 0 324.207 4.416 50 0 DIAARN Cc1ccsc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000003343550 181009035 /nfs/dbraw/zinc/00/90/35/181009035.db2.gz JLIUKCULVMRCII-UHFFFAOYSA-N 0 0 300.210 4.293 50 0 DIAARN O=C(OCc1ccc(F)cc1Cl)c1ccc2ccccc2n1 ZINC000003343935 181009319 /nfs/dbraw/zinc/00/93/19/181009319.db2.gz NZWYHRQBGWUSQB-UHFFFAOYSA-N 0 0 315.731 4.384 50 0 DIAARN Cc1csc(NC(=O)C2c3ccccc3-c3ccccc32)n1 ZINC000003346927 181009808 /nfs/dbraw/zinc/00/98/08/181009808.db2.gz VKMBGPUIQJGREA-UHFFFAOYSA-N 0 0 306.390 4.203 50 0 DIAARN O=C(COc1ccccc1-c1ccccc1)NCc1cccs1 ZINC000003353143 181010593 /nfs/dbraw/zinc/01/05/93/181010593.db2.gz ANHZQGIJKXTJBL-UHFFFAOYSA-N 0 0 323.417 4.110 50 0 DIAARN O=C(Cc1ccsc1)Nc1cc(Cl)ccc1N1CCCC1 ZINC000003359666 181011181 /nfs/dbraw/zinc/01/11/81/181011181.db2.gz LSFXOOHPBFRHPQ-UHFFFAOYSA-N 0 0 320.845 4.183 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccccc2C1 ZINC000003452526 181022177 /nfs/dbraw/zinc/02/21/77/181022177.db2.gz DUJBEEZUPUWNNT-UHFFFAOYSA-N 0 0 318.420 4.076 50 0 DIAARN Fc1ccc(Sc2ncnc3sc4c(c32)CCC4)cc1 ZINC000003453517 181022413 /nfs/dbraw/zinc/02/24/13/181022413.db2.gz GQYCIHWEQAJKSZ-UHFFFAOYSA-N 0 0 302.399 4.470 50 0 DIAARN CC(C)c1ccc([C@@H](C)NC(=O)c2cccc(N(C)C)c2)cc1 ZINC000003410390 181016299 /nfs/dbraw/zinc/01/62/99/181016299.db2.gz NTLRRADSXYBVFO-OAHLLOKOSA-N 0 0 310.441 4.367 50 0 DIAARN 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/nfs/dbraw/zinc/30/43/36/181304336.db2.gz XPYLMRIXEKTASO-CMDGGOBGSA-N 0 0 321.376 4.431 50 0 DIAARN C[C@@H](c1ccc(F)cc1)N1C(=S)N=NC1c1cccs1 ZINC000005997947 181304385 /nfs/dbraw/zinc/30/43/85/181304385.db2.gz BONCYRDOUOIJMP-VIFPVBQESA-N 0 0 305.403 4.044 50 0 DIAARN Cn1c(SC/C=C\c2ccccc2)nnc1-c1cccs1 ZINC000006056875 181309572 /nfs/dbraw/zinc/30/95/72/181309572.db2.gz AWFPJHTXYCZCLP-UITAMQMPSA-N 0 0 313.451 4.349 50 0 DIAARN COc1ccc(CCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000006128142 181315148 /nfs/dbraw/zinc/31/51/48/181315148.db2.gz ZKNZJAYMXCORBV-UHFFFAOYSA-N 0 0 305.377 4.420 50 0 DIAARN C[C@H](NC(=O)COc1ccccc1)c1ccc2ccccc2c1 ZINC000006151863 181316788 /nfs/dbraw/zinc/31/67/88/181316788.db2.gz RCQCHUILJNCKKG-HNNXBMFYSA-N 0 0 305.377 4.096 50 0 DIAARN COC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cc(C)cc12 ZINC000006255363 181323557 /nfs/dbraw/zinc/32/35/57/181323557.db2.gz CSUDPOZFAYFLSZ-UHFFFAOYSA-N 0 0 321.376 4.314 50 0 DIAARN COc1cc(C)c(NC(=O)C[C@H](C)c2ccccc2)cc1OC ZINC000006258870 181323626 /nfs/dbraw/zinc/32/36/26/181323626.db2.gz ZHTQMCLHMDOKJC-ZDUSSCGKSA-N 0 0 313.397 4.145 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1 ZINC000006272029 181325140 /nfs/dbraw/zinc/32/51/40/181325140.db2.gz IBQLKKBLBXJSGU-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CCCc1cc(C(=O)Nc2ccc(OC)cc2OC)sc1C ZINC000006288928 181326657 /nfs/dbraw/zinc/32/66/57/181326657.db2.gz SKDLULVTWLNQLB-UHFFFAOYSA-N 0 0 319.426 4.279 50 0 DIAARN CCCCC1=N[C@@H]2Sc3c(ncnc3OC)[C@@H]2C2=C1CCC2 ZINC000006309914 181328604 /nfs/dbraw/zinc/32/86/04/181328604.db2.gz HYHRKZCFCQWYHI-SUMWQHHRSA-N 0 0 315.442 4.126 50 0 DIAARN CCCSc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000006318231 181329909 /nfs/dbraw/zinc/32/99/09/181329909.db2.gz IRCVJQNDNHCUHJ-UHFFFAOYSA-N 0 0 310.426 4.140 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000006318568 181329932 /nfs/dbraw/zinc/32/99/32/181329932.db2.gz AFNDHZJLPAVICY-UHFFFAOYSA-N 0 0 304.340 4.063 50 0 DIAARN O=C(c1ccsc1)N(Cc1ccsc1)c1cccnc1 ZINC000193505784 201065881 /nfs/dbraw/zinc/06/58/81/201065881.db2.gz AGDHCOANZPEEAL-UHFFFAOYSA-N 0 0 300.408 4.052 50 0 DIAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccsc1 ZINC000006337121 181331548 /nfs/dbraw/zinc/33/15/48/181331548.db2.gz MANNSFJFPTZBBQ-GHXNOFRVSA-N 0 0 314.435 4.081 50 0 DIAARN O=C(NC(c1ccccc1)c1ccccc1)c1cccnc1Cl ZINC000006338103 181331581 /nfs/dbraw/zinc/33/15/81/181331581.db2.gz KWCJTUMHHHECCA-UHFFFAOYSA-N 0 0 322.795 4.254 50 0 DIAARN Cc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000006339204 181331726 /nfs/dbraw/zinc/33/17/26/181331726.db2.gz JHDBIWBYCLMMKW-UHFFFAOYSA-N 0 0 308.406 4.300 50 0 DIAARN Cc1ccccc1-n1c(SC(C)C)nnc1-c1ccncc1 ZINC000006334740 181331225 /nfs/dbraw/zinc/33/12/25/181331225.db2.gz JEAMMAYDBMPTKE-UHFFFAOYSA-N 0 0 310.426 4.138 50 0 DIAARN COc1cc(NCc2ccc(C)c(Cl)c2)ccc1NC(C)=O ZINC000193731693 201113087 /nfs/dbraw/zinc/11/30/87/201113087.db2.gz QODHMRNQVPDHTA-UHFFFAOYSA-N 0 0 318.804 4.228 50 0 DIAARN O=C(COc1ccc2ccccc2c1)Nc1cc(F)ccc1F ZINC000006376698 181334777 /nfs/dbraw/zinc/33/47/77/181334777.db2.gz DTFWHLFPTPDBTP-UHFFFAOYSA-N 0 0 313.303 4.136 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(F)ccc2F)c1 ZINC000006376708 181334823 /nfs/dbraw/zinc/33/48/23/181334823.db2.gz LTHPOEYGLMNYQW-UHFFFAOYSA-N 0 0 319.351 4.414 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1 ZINC000006471106 181343205 /nfs/dbraw/zinc/34/32/05/181343205.db2.gz HHOUCWZKKAKPAP-MRXNPFEDSA-N 0 0 313.466 4.057 50 0 DIAARN O=C1CCCC[C@H]1Sc1nnc(Nc2ccccc2F)s1 ZINC000006474008 181343518 /nfs/dbraw/zinc/34/35/18/181343518.db2.gz DFJPCIGDXVSMRU-GFCCVEGCSA-N 0 0 323.418 4.025 50 0 DIAARN Clc1ccc([C@H]2CC(c3nc4ccccc4s3)=NN2)cc1 ZINC000006476809 181343626 /nfs/dbraw/zinc/34/36/26/181343626.db2.gz XNLAFCUYWQBUTB-CYBMUJFWSA-N 0 0 313.813 4.388 50 0 DIAARN Cc1ccc2sc(NC(=O)c3ccc(F)cc3)nc2c1C ZINC000006478553 181344218 /nfs/dbraw/zinc/34/42/18/181344218.db2.gz GTHFLVJNRQDUQA-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccco2)cc1 ZINC000006479541 181344453 /nfs/dbraw/zinc/34/44/53/181344453.db2.gz FJBQCJFYERUKPY-UHFFFAOYSA-N 0 0 310.353 4.415 50 0 DIAARN CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 ZINC000006532368 181351136 /nfs/dbraw/zinc/35/11/36/181351136.db2.gz TWCSKNVCKLRMDR-UHFFFAOYSA-N 0 0 308.834 4.277 50 0 DIAARN Cc1ccsc1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000006558021 181354989 /nfs/dbraw/zinc/35/49/89/181354989.db2.gz CBRAHOHSEYJRCH-UHFFFAOYSA-N 0 0 314.237 4.336 50 0 DIAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000006560062 181355307 /nfs/dbraw/zinc/35/53/07/181355307.db2.gz GRGUMSLVRJTWCL-NSHDSACASA-N 0 0 317.385 4.148 50 0 DIAARN Cc1ccc(-n2c3ccccc3nc(-c3cccs3)c2=O)cc1 ZINC000006558870 181355321 /nfs/dbraw/zinc/35/53/21/181355321.db2.gz WGKWSLAQNWZOTM-UHFFFAOYSA-N 0 0 318.401 4.423 50 0 DIAARN O=C(COc1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000006610933 181360793 /nfs/dbraw/zinc/36/07/93/181360793.db2.gz YVRHHIFSDLMPSF-UHFFFAOYSA-N 0 0 317.388 4.295 50 0 DIAARN CCSc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 ZINC000006604444 181359845 /nfs/dbraw/zinc/35/98/45/181359845.db2.gz GJDVVRCDKFGGQI-UHFFFAOYSA-N 0 0 315.438 4.379 50 0 DIAARN CCCC[C@@H](CC)CNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000006602987 181359912 /nfs/dbraw/zinc/35/99/12/181359912.db2.gz RKQICKHMZJFLNO-CQSZACIVSA-N 0 0 307.409 4.121 50 0 DIAARN CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 ZINC000006618712 181361767 /nfs/dbraw/zinc/36/17/67/181361767.db2.gz QJHQUJXDTBJOOU-UHFFFAOYSA-N 0 0 316.813 4.151 50 0 DIAARN CCc1nnc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000006634178 181363267 /nfs/dbraw/zinc/36/32/67/181363267.db2.gz PYKZNLMVLJYJHG-CYBMUJFWSA-N 0 0 323.849 4.132 50 0 DIAARN CC1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000006634546 181363338 /nfs/dbraw/zinc/36/33/38/181363338.db2.gz MUDRJVYDOOQWGU-UHFFFAOYSA-N 0 0 303.789 4.472 50 0 DIAARN C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000006647461 181364325 /nfs/dbraw/zinc/36/43/25/181364325.db2.gz GLBODGGTKLKNLQ-LLVKDONJSA-N 0 0 303.402 4.257 50 0 DIAARN CCCCC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000006647665 181364400 /nfs/dbraw/zinc/36/44/00/181364400.db2.gz QMVGDXZXDMDLCX-UHFFFAOYSA-N 0 0 303.402 4.350 50 0 DIAARN Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000006649324 181365241 /nfs/dbraw/zinc/36/52/41/181365241.db2.gz JBXDZIFTOGDXLU-UHFFFAOYSA-N 0 0 309.409 4.281 50 0 DIAARN Cc1nn(-c2ccccc2)c(Cl)c1CNCc1ccccc1 ZINC000006650938 181365334 /nfs/dbraw/zinc/36/53/34/181365334.db2.gz KHSZUIKVHOQDPS-UHFFFAOYSA-N 0 0 311.816 4.124 50 0 DIAARN CCCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 ZINC000006669952 181368889 /nfs/dbraw/zinc/36/88/89/181368889.db2.gz PQGFFYYNQXXUTA-UHFFFAOYSA-N 0 0 313.213 4.112 50 0 DIAARN O=C1O[C@](OC2CCCCC2)(c2ccccc2)c2ccccc21 ZINC000006667466 181368006 /nfs/dbraw/zinc/36/80/06/181368006.db2.gz MXPZQOASVNHSMY-HXUWFJFHSA-N 0 0 308.377 4.407 50 0 DIAARN CCOC(=O)Nc1nc2cc(C=Cc3ccc(C)cc3)ccc2[nH]1 ZINC000006693758 181371071 /nfs/dbraw/zinc/37/10/71/181371071.db2.gz NBMGTQFOSCIVQI-CMDGGOBGSA-N 0 0 321.380 4.032 50 0 DIAARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc3c2CCCC3)c1 ZINC000006690946 181370957 /nfs/dbraw/zinc/37/09/57/181370957.db2.gz DDDQRLJBOLHTTJ-OAHLLOKOSA-N 0 0 309.409 4.280 50 0 DIAARN O=C(Nc1ccc2ncccc2c1)c1ncc(-c2ccccc2)o1 ZINC000206586349 201429540 /nfs/dbraw/zinc/42/95/40/201429540.db2.gz FHWLWYVKIXYNAW-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccco1 ZINC000006701874 181373684 /nfs/dbraw/zinc/37/36/84/181373684.db2.gz IIWFFTBVWJITJW-UHFFFAOYSA-N 0 0 317.348 4.155 50 0 DIAARN C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC000006715735 181376142 /nfs/dbraw/zinc/37/61/42/181376142.db2.gz RUTDMUHCELPWET-OAHLLOKOSA-N 0 0 318.376 4.365 50 0 DIAARN O=C(c1ccoc1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206995725 201432081 /nfs/dbraw/zinc/43/20/81/201432081.db2.gz OBRNMIXJTFYYFQ-HNNXBMFYSA-N 0 0 321.829 4.253 50 0 DIAARN COc1ccccc1-c1ccnc2c(-c3ccccc3)c(C)nn21 ZINC000006719580 181376894 /nfs/dbraw/zinc/37/68/94/181376894.db2.gz YNNBGLCSLVMUNI-UHFFFAOYSA-N 0 0 315.376 4.380 50 0 DIAARN O=C(C1CCC1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206994317 201432739 /nfs/dbraw/zinc/43/27/39/201432739.db2.gz UAAPVXSBVQSEJN-OAHLLOKOSA-N 0 0 309.862 4.147 50 0 DIAARN O=C(NCc1ccccc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000006738636 181380625 /nfs/dbraw/zinc/38/06/25/181380625.db2.gz ZUSRXQPCRVINBB-UHFFFAOYSA-N 0 0 321.401 4.238 50 0 DIAARN CCc1nonc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000006743410 181381370 /nfs/dbraw/zinc/38/13/70/181381370.db2.gz CKGJVAARPBWCSK-UHFFFAOYSA-N 0 0 321.789 4.061 50 0 DIAARN COc1ccc2oc(=O)cc(CN(C)c3c(C)cccc3C)c2c1 ZINC000006743173 181381409 /nfs/dbraw/zinc/38/14/09/181381409.db2.gz XMZDJMLPFMBGIH-UHFFFAOYSA-N 0 0 323.392 4.055 50 0 DIAARN Cc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)c(C)c1 ZINC000006752072 181383389 /nfs/dbraw/zinc/38/33/89/181383389.db2.gz NQGULTNFQAMUIY-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN CC1(C)C[C@@](CCNc2nccs2)(c2ccccc2)CCO1 ZINC000006759973 181384786 /nfs/dbraw/zinc/38/47/86/181384786.db2.gz HKYNAGMNMRYSFO-SFHVURJKSA-N 0 0 316.470 4.472 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000006758632 181384900 /nfs/dbraw/zinc/38/49/00/181384900.db2.gz RTCIDPUDFMGFTN-UHFFFAOYSA-N 0 0 308.381 4.436 50 0 DIAARN Cc1cccc2c1cnn2C(=O)Nc1cccc2c1CCCC2 ZINC000006768823 181386233 /nfs/dbraw/zinc/38/62/33/181386233.db2.gz ILXHTWXIJMWQMO-UHFFFAOYSA-N 0 0 305.381 4.304 50 0 DIAARN Cc1cc(C(=O)Nc2cccc(C)c2C)n(-c2ccccc2)n1 ZINC000006772283 181386320 /nfs/dbraw/zinc/38/63/20/181386320.db2.gz PCZOBTSMCFAHED-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN Cc1c(NC(=O)C(C)C)cccc1-c1nc2cccnc2s1 ZINC000006781376 181387385 /nfs/dbraw/zinc/38/73/85/181387385.db2.gz XPXIXWVIEMJUIQ-UHFFFAOYSA-N 0 0 311.410 4.261 50 0 DIAARN Cc1cccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)c1 ZINC000006784825 181387492 /nfs/dbraw/zinc/38/74/92/181387492.db2.gz OJDODSHGHIABNJ-ZDUSSCGKSA-N 0 0 321.471 4.251 50 0 DIAARN Cc1nnc2c(Nc3ccc(C(C)C)cc3)nc3ccccc3n12 ZINC000006781877 181387642 /nfs/dbraw/zinc/38/76/42/181387642.db2.gz DDCKPPWSMNCWTO-UHFFFAOYSA-N 0 0 317.396 4.453 50 0 DIAARN CCCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C ZINC000006781372 181387769 /nfs/dbraw/zinc/38/77/69/181387769.db2.gz DTAOPDRHQMQNFQ-UHFFFAOYSA-N 0 0 311.410 4.405 50 0 DIAARN c1nc2sc3c(c2c(SC[C@H]2CCCCO2)n1)CCCC3 ZINC000006787349 181388132 /nfs/dbraw/zinc/38/81/32/181388132.db2.gz ZWLWRNNGIUJZDY-LLVKDONJSA-N 0 0 320.483 4.231 50 0 DIAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1 ZINC000006788913 181388862 /nfs/dbraw/zinc/38/88/62/181388862.db2.gz PCYHCERWPIGYMN-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN CCc1nnc2c(Nc3cccc(C)c3C)nc3ccccc3n12 ZINC000006792046 181389760 /nfs/dbraw/zinc/38/97/60/181389760.db2.gz KPRLKPVCHZFVEO-UHFFFAOYSA-N 0 0 317.396 4.200 50 0 DIAARN CCN(c1c(=O)c(=O)c1-c1ccc(C(C)C)cc1)c1ccccc1 ZINC000006793234 181389896 /nfs/dbraw/zinc/38/98/96/181389896.db2.gz AEKIKHOLXCNUAL-UHFFFAOYSA-N 0 0 319.404 4.231 50 0 DIAARN CC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000006790496 181389920 /nfs/dbraw/zinc/38/99/20/181389920.db2.gz DVTIRHAZQUARFD-UHFFFAOYSA-N 0 0 307.271 4.160 50 0 DIAARN CC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000006790532 181389951 /nfs/dbraw/zinc/38/99/51/181389951.db2.gz SHTTVNAMNKAVQF-UHFFFAOYSA-N 0 0 307.271 4.160 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)Nc1ccccc1 ZINC000006796673 181390306 /nfs/dbraw/zinc/39/03/06/181390306.db2.gz WRJGFAYCIBYYJS-UHFFFAOYSA-N 0 0 305.175 4.402 50 0 DIAARN C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006795012 181390682 /nfs/dbraw/zinc/39/06/82/181390682.db2.gz RFJFOKVWQLPMIX-NXEZZACHSA-N 0 0 316.232 4.293 50 0 DIAARN CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2Cl)c1C ZINC000006818817 181394763 /nfs/dbraw/zinc/39/47/63/181394763.db2.gz OEYNEFULNWCJNC-UHFFFAOYSA-N 0 0 304.777 4.048 50 0 DIAARN CCNC(=S)Nc1cc(Cl)ccc1N1CCCCCC1 ZINC000006822270 181395135 /nfs/dbraw/zinc/39/51/35/181395135.db2.gz ICZBHDHIEVTMSG-UHFFFAOYSA-N 0 0 311.882 4.027 50 0 DIAARN Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc1 ZINC000006822541 181395456 /nfs/dbraw/zinc/39/54/56/181395456.db2.gz XYOWJDWFZCLWLE-UHFFFAOYSA-N 0 0 314.816 4.494 50 0 DIAARN CCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000006830241 181396703 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O=C(/C=C/c1cccc2cccnc12)OCc1ccc(F)cc1 ZINC000014811097 181971754 /nfs/dbraw/zinc/97/17/54/181971754.db2.gz RPMAQXWXVDZKDY-DHZHZOJOSA-N 0 0 307.324 4.131 50 0 DIAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1Cl ZINC000015009624 181982992 /nfs/dbraw/zinc/98/29/92/181982992.db2.gz XAPPZTLCRWJKEF-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2ccccc2C)NC1=O ZINC000015502436 182004612 /nfs/dbraw/zinc/00/46/12/182004612.db2.gz ZITXGRHEDJTITL-MRXNPFEDSA-N 0 0 323.421 4.076 50 0 DIAARN Cc1nc2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2o1 ZINC000015540447 182005853 /nfs/dbraw/zinc/00/58/53/182005853.db2.gz DPTVPXDLCKQDAL-UHFFFAOYSA-N 0 0 322.698 4.320 50 0 DIAARN CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1F ZINC000015565712 182007393 /nfs/dbraw/zinc/00/73/93/182007393.db2.gz DLSVMECSOXDODU-UHFFFAOYSA-N 0 0 322.383 4.321 50 0 DIAARN Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl ZINC000015581977 182007518 /nfs/dbraw/zinc/00/75/18/182007518.db2.gz LFUVAZKHEPGCPV-UHFFFAOYSA-N 0 0 316.763 4.381 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000015575989 182007945 /nfs/dbraw/zinc/00/79/45/182007945.db2.gz ZOABESMFLXDZTK-PCLFDXGNSA-N 0 0 321.420 4.381 50 0 DIAARN CC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccco1 ZINC000015590248 182008459 /nfs/dbraw/zinc/00/84/59/182008459.db2.gz RCJVUROBSKMEIM-AWEZNQCLSA-N 0 0 323.179 4.284 50 0 DIAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCCCCC1 ZINC000015628347 182009512 /nfs/dbraw/zinc/00/95/12/182009512.db2.gz KCNUHVDMSJYDPD-UHFFFAOYSA-N 0 0 320.845 4.480 50 0 DIAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000015626129 182009615 /nfs/dbraw/zinc/00/96/15/182009615.db2.gz VGUGJMAGYPIOSF-BREXMAIKSA-N 0 0 310.180 4.477 50 0 DIAARN CCc1ccc(-c2nc(C)c(C(=O)NC3CCCC3)s2)cc1 ZINC000015634115 182009994 /nfs/dbraw/zinc/00/99/94/182009994.db2.gz FZYGGAOCHQUTOB-UHFFFAOYSA-N 0 0 314.454 4.353 50 0 DIAARN CCC(=O)N(C)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000015670879 182010971 /nfs/dbraw/zinc/01/09/71/182010971.db2.gz WFTWVIYXFLWGOH-FQEVSTJZSA-N 0 0 306.409 4.434 50 0 DIAARN O=C(Oc1ccccc1Cl)c1cc(-c2cccs2)on1 ZINC000015669793 182011019 /nfs/dbraw/zinc/01/10/19/182011019.db2.gz SGIHLMWMEXOKNA-UHFFFAOYSA-N 0 0 305.742 4.276 50 0 DIAARN CCCCNc1ncccc1-c1nc(-c2cccc(C)c2)no1 ZINC000015669970 182011218 /nfs/dbraw/zinc/01/12/18/182011218.db2.gz VLIIFDARPWHQAU-UHFFFAOYSA-N 0 0 308.385 4.319 50 0 DIAARN CC(C)C(=O)N(C)[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670865 182011237 /nfs/dbraw/zinc/01/12/37/182011237.db2.gz FNNOWYKYJIUIGI-IBGZPJMESA-N 0 0 306.409 4.372 50 0 DIAARN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000015686035 182012283 /nfs/dbraw/zinc/01/22/83/182012283.db2.gz XRLGUTBWFSOQJT-UHFFFAOYSA-N 0 0 321.332 4.236 50 0 DIAARN CCc1nnc2c3ccccc3nc(Nc3ccc(C)c(F)c3)n12 ZINC000015728346 182013575 /nfs/dbraw/zinc/01/35/75/182013575.db2.gz SHFGVGZRWUSYTK-UHFFFAOYSA-N 0 0 321.359 4.031 50 0 DIAARN CCN(C(=O)c1noc2c1CCc1sccc1-2)c1ccccc1 ZINC000015733224 182014174 /nfs/dbraw/zinc/01/41/74/182014174.db2.gz GRZMGFAJHJYXGK-UHFFFAOYSA-N 0 0 324.405 4.168 50 0 DIAARN Cc1cccc(NC(=O)c2noc3c2CCc2sccc2-3)c1 ZINC000015733322 182014209 /nfs/dbraw/zinc/01/42/09/182014209.db2.gz JNKKZPOQMRKTNF-UHFFFAOYSA-N 0 0 310.378 4.062 50 0 DIAARN CC(C)CCNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000015732261 182014508 /nfs/dbraw/zinc/01/45/08/182014508.db2.gz DPGZVLYIFWXMTO-UHFFFAOYSA-N 0 0 314.454 4.218 50 0 DIAARN Cc1cccc([C@H](CC(=O)Nc2cccc(C)n2)n2cccc2)c1 ZINC000015771246 182015445 /nfs/dbraw/zinc/01/54/45/182015445.db2.gz SBQQALXQEAZKNA-SFHVURJKSA-N 0 0 319.408 4.118 50 0 DIAARN COc1cccc([C@H](CC(=O)Nc2ccccc2)n2cccc2)c1 ZINC000015771221 182015533 /nfs/dbraw/zinc/01/55/33/182015533.db2.gz ZVJRFOJTPJWHON-IBGZPJMESA-N 0 0 320.392 4.115 50 0 DIAARN Cc1ccccc1NC(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000015771277 182015692 /nfs/dbraw/zinc/01/56/92/182015692.db2.gz NPOYNBXNUZXBKT-IBGZPJMESA-N 0 0 304.393 4.415 50 0 DIAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc3cccnc32)c1 ZINC000015835430 182019859 /nfs/dbraw/zinc/01/98/59/182019859.db2.gz ZXTPOJQLANDITC-HNNXBMFYSA-N 0 0 320.392 4.258 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 ZINC000015835846 182020464 /nfs/dbraw/zinc/02/04/64/182020464.db2.gz ZMLJZTFVHGRRHX-CQSZACIVSA-N 0 0 305.830 4.308 50 0 DIAARN Cc1ccc([C@@H](NC(=O)c2cccc(C)c2)c2cccnc2)cc1 ZINC000015839662 182020936 /nfs/dbraw/zinc/02/09/36/182020936.db2.gz DUZUTUZRDAWLKL-HXUWFJFHSA-N 0 0 316.404 4.218 50 0 DIAARN O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1 ZINC000015839887 182021019 /nfs/dbraw/zinc/02/10/19/182021019.db2.gz VALDEBHXPFROHM-SFHVURJKSA-N 0 0 322.795 4.254 50 0 DIAARN Cc1cc(N2CCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000015839964 182021261 /nfs/dbraw/zinc/02/12/61/182021261.db2.gz MWBKFQJPGCZDRF-UHFFFAOYSA-N 0 0 324.403 4.224 50 0 DIAARN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1 ZINC000015839885 182021275 /nfs/dbraw/zinc/02/12/75/182021275.db2.gz VALDEBHXPFROHM-GOSISDBHSA-N 0 0 322.795 4.254 50 0 DIAARN Cc1ccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)cc1 ZINC000015841917 182021831 /nfs/dbraw/zinc/02/18/31/182021831.db2.gz CZFQOWCPPSMKNU-UHFFFAOYSA-N 0 0 302.377 4.055 50 0 DIAARN Cc1ccc(-c2ccc(CCC(=O)NCc3ccco3)o2)cc1 ZINC000015867450 182022912 /nfs/dbraw/zinc/02/29/12/182022912.db2.gz XBQJCLKUYDMQRL-UHFFFAOYSA-N 0 0 309.365 4.097 50 0 DIAARN O=C(CCc1ccc(-c2ccccc2)o1)NCCc1ccccc1 ZINC000015867426 182022975 /nfs/dbraw/zinc/02/29/75/182022975.db2.gz VRIQJKQTVJVDNN-UHFFFAOYSA-N 0 0 319.404 4.238 50 0 biogenic DIAARN CCOCCCNC(=O)N1CCCCC[C@H]1c1ccc(C)s1 ZINC000015867098 182023346 /nfs/dbraw/zinc/02/33/46/182023346.db2.gz HTIMNJGYLUPDAV-HNNXBMFYSA-N 0 0 324.490 4.110 50 0 DIAARN O=C(CCc1ccco1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000016005212 182028426 /nfs/dbraw/zinc/02/84/26/182028426.db2.gz XSVPDQZBKUTRFV-UHFFFAOYSA-N 0 0 315.703 4.106 50 0 DIAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000016014189 182028771 /nfs/dbraw/zinc/02/87/71/182028771.db2.gz KWFQNVPGHHWHFY-WFASDCNBSA-N 0 0 322.433 4.482 50 0 DIAARN Cc1cccc(CSCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000016024233 182029867 /nfs/dbraw/zinc/02/98/67/182029867.db2.gz JBBKATITJFQRMD-UHFFFAOYSA-N 0 0 319.857 4.198 50 0 DIAARN COc1ccc(C=C2SC(=S)NC2=O)c2ccccc12 ZINC000015933449 182025131 /nfs/dbraw/zinc/02/51/31/182025131.db2.gz KYJIVSTXTVRGBR-MDWZMJQESA-N 0 0 301.392 4.178 50 0 DIAARN COc1ccc2ccccc2c1C=C1SC(=S)NC1=O ZINC000015933451 182025443 /nfs/dbraw/zinc/02/54/43/182025443.db2.gz YGHRMTBYJMUQLI-MDWZMJQESA-N 0 0 301.392 4.178 50 0 DIAARN COc1cccc(CNC(=O)c2ccccc2-c2ccccc2)c1 ZINC000015941055 182025719 /nfs/dbraw/zinc/02/57/19/182025719.db2.gz VCJOPDCSGNIGEG-UHFFFAOYSA-N 0 0 317.388 4.292 50 0 DIAARN O=C(CCC1CCCCC1)Nc1ccccc1N1CCCC1=O ZINC000016105480 182034064 /nfs/dbraw/zinc/03/40/64/182034064.db2.gz WCTBRAKTQPWJSY-UHFFFAOYSA-N 0 0 314.429 4.112 50 0 DIAARN COc1cccc(COC(=O)c2cc3ccccc3cc2OC)c1 ZINC000016208178 182036438 /nfs/dbraw/zinc/03/64/38/182036438.db2.gz CUFCTENICXYIGX-UHFFFAOYSA-N 0 0 322.360 4.214 50 0 DIAARN Clc1cccc(Cl)c1CNCc1ccc2c(c1)OCO2 ZINC000016383731 182042679 /nfs/dbraw/zinc/04/26/79/182042679.db2.gz UHQLEECZWKBMOF-UHFFFAOYSA-N 0 0 310.180 4.012 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C ZINC000016468833 182045978 /nfs/dbraw/zinc/04/59/78/182045978.db2.gz DZGXTFBGNSHRAT-ZIAGYGMSSA-N 0 0 309.356 4.465 50 0 DIAARN Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(C)c(C)c1 ZINC000016580783 182051323 /nfs/dbraw/zinc/05/13/23/182051323.db2.gz HPXQDENNGJTCQX-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN O=C(NCc1ccncc1)c1sc2cccc(F)c2c1Cl ZINC000016602812 182051951 /nfs/dbraw/zinc/05/19/51/182051951.db2.gz TZQSJTRJRKCUFY-UHFFFAOYSA-N 0 0 320.776 4.019 50 0 DIAARN CCCc1nnc(NC(=O)c2ccccc2SC(C)C)s1 ZINC000016649458 182056114 /nfs/dbraw/zinc/05/61/14/182056114.db2.gz QEVFCYUITIBRPP-UHFFFAOYSA-N 0 0 321.471 4.243 50 0 DIAARN CCN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O ZINC000016681432 182057288 /nfs/dbraw/zinc/05/72/88/182057288.db2.gz IZPUEHWIMXNVHA-DHDCSXOGSA-N 0 0 319.426 4.183 50 0 DIAARN Cc1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)cc1 ZINC000016741692 182059499 /nfs/dbraw/zinc/05/94/99/182059499.db2.gz FMEKKAUVYHQTKW-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN CC(=O)c1sc(=Nc2ccccc2)n(Cc2ccccc2)c1C ZINC000016768168 182060106 /nfs/dbraw/zinc/06/01/06/182060106.db2.gz UCFVPTKFYGKLGP-VXPUYCOJSA-N 0 0 322.433 4.341 50 0 DIAARN COC(=O)c1cncc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000016948053 182066074 /nfs/dbraw/zinc/06/60/74/182066074.db2.gz QZTLIFICMFOUDY-UHFFFAOYSA-N 0 0 319.360 4.114 50 0 DIAARN CCCCC(=O)Nc1nn(CCC)c2nc3cc(C)ccc3cc12 ZINC000016956699 182066430 /nfs/dbraw/zinc/06/64/30/182066430.db2.gz AKYNDFHURQQPSG-UHFFFAOYSA-N 0 0 324.428 4.432 50 0 DIAARN Cc1ccc(O)c(NC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000017032207 182069833 /nfs/dbraw/zinc/06/98/33/182069833.db2.gz NZUKURNVUAQKMM-UHFFFAOYSA-N 0 0 310.781 4.302 50 0 DIAARN CCc1ccccc1-n1c(=O)c2c(C)c(C)sc2[nH]c1=S ZINC000017054060 182072264 /nfs/dbraw/zinc/07/22/64/182072264.db2.gz QCVFSMYGDITTJE-UHFFFAOYSA-N 0 0 316.451 4.289 50 0 DIAARN FC(F)(F)c1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000017055151 182072568 /nfs/dbraw/zinc/07/25/68/182072568.db2.gz YPXSURDGNVWLLU-UHFFFAOYSA-N 0 0 320.270 4.334 50 0 DIAARN CC(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2O)cc1 ZINC000017055553 182072746 /nfs/dbraw/zinc/07/27/46/182072746.db2.gz DKWQSUSGGPYBQQ-UHFFFAOYSA-N 0 0 320.801 4.057 50 0 DIAARN COc1cc(OC)c(NC(=O)Nc2ccccc2F)cc1Cl ZINC000017066538 182074858 /nfs/dbraw/zinc/07/48/58/182074858.db2.gz AANLHEYGOZEVCD-UHFFFAOYSA-N 0 0 324.739 4.140 50 0 DIAARN C[C@H](NC(=O)NCc1ccccc1)c1cccc2ccccc21 ZINC000017115546 182075513 /nfs/dbraw/zinc/07/55/13/182075513.db2.gz TVQOETWGMKFFHG-HNNXBMFYSA-N 0 0 304.393 4.400 50 0 DIAARN O=C(/C=C\c1ccnc2ccccc12)NCc1ccc(Cl)cc1 ZINC000017111674 182075687 /nfs/dbraw/zinc/07/56/87/182075687.db2.gz TUXNNHHKCGWUPI-YFHOEESVSA-N 0 0 322.795 4.218 50 0 DIAARN Cc1cccc(CSc2nnc3n2CCN3c2ccccc2)c1 ZINC000017123062 182076192 /nfs/dbraw/zinc/07/61/92/182076192.db2.gz IBICVTMEWAOURZ-UHFFFAOYSA-N 0 0 322.437 4.031 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccccc2)cc1C ZINC000017120472 182076631 /nfs/dbraw/zinc/07/66/31/182076631.db2.gz CBUFTLWZRJESRC-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN CC[C@H](C)NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000017720482 182085279 /nfs/dbraw/zinc/08/52/79/182085279.db2.gz RUBTUTGMVNYVMB-HMSXATMWSA-N 0 0 311.469 4.439 50 0 DIAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2C)cc1Cl ZINC000017742823 182085636 /nfs/dbraw/zinc/08/56/36/182085636.db2.gz FYVSQRVLFWOAQC-GFCCVEGCSA-N 0 0 303.793 4.059 50 0 DIAARN CCc1ccc(N2C(=O)CS[C@@H]2c2cccc(OC)c2)cc1 ZINC000017198426 182079798 /nfs/dbraw/zinc/07/97/98/182079798.db2.gz HVLCZRFIVDZSHB-GOSISDBHSA-N 0 0 313.422 4.036 50 0 DIAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl ZINC000017304104 182082390 /nfs/dbraw/zinc/08/23/90/182082390.db2.gz SAMJKDXASIBMHT-UHFFFAOYSA-N 0 0 312.181 4.184 50 0 DIAARN O=C(Nc1cccnc1)c1ccc(C2SCCCS2)cc1 ZINC000018106368 182093342 /nfs/dbraw/zinc/09/33/42/182093342.db2.gz VPQLNQOUXZREKT-UHFFFAOYSA-N 0 0 316.451 4.203 50 0 DIAARN CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000018131718 182094543 /nfs/dbraw/zinc/09/45/43/182094543.db2.gz ZERRUXNUAORLFY-MRXNPFEDSA-N 0 0 303.789 4.230 50 0 DIAARN O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000018158519 182095369 /nfs/dbraw/zinc/09/53/69/182095369.db2.gz CHXYMVHDBQODDL-UHFFFAOYSA-N 0 0 321.767 4.034 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000018175850 182096571 /nfs/dbraw/zinc/09/65/71/182096571.db2.gz ZLTDOFMGYDLIBX-SFHVURJKSA-N 0 0 310.397 4.373 50 0 DIAARN Cc1cccc(NC(=O)Nc2cccc(Br)c2)c1 ZINC000018176740 182096579 /nfs/dbraw/zinc/09/65/79/182096579.db2.gz UGHQXVSVTLQKIN-UHFFFAOYSA-N 0 0 305.175 4.402 50 0 DIAARN Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)C2CCCCC2)n1 ZINC000019290019 182112561 /nfs/dbraw/zinc/11/25/61/182112561.db2.gz YJLWXXRRVAZIDV-OAHLLOKOSA-N 0 0 323.868 4.098 50 0 DIAARN c1cn(Cc2ccncc2)nc1-c1cccc(-c2ccncc2)c1 ZINC000019228926 182109156 /nfs/dbraw/zinc/10/91/56/182109156.db2.gz JVTHMBOYJHLFDS-UHFFFAOYSA-N 0 0 312.376 4.055 50 0 DIAARN Cc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000019684212 182136524 /nfs/dbraw/zinc/13/65/24/182136524.db2.gz KKBKSYPAHYRAGH-UHFFFAOYSA-N 0 0 320.320 4.242 50 0 DIAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(N)c1C ZINC000019736245 182139746 /nfs/dbraw/zinc/13/97/46/182139746.db2.gz RPPRFYUHWVKYLP-CYBMUJFWSA-N 0 0 312.413 4.108 50 0 DIAARN Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCC2 ZINC000019776231 182146570 /nfs/dbraw/zinc/14/65/70/182146570.db2.gz OMFQKLVWOFFERI-UHFFFAOYSA-N 0 0 312.221 4.357 50 0 DIAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736495 182140714 /nfs/dbraw/zinc/14/07/14/182140714.db2.gz YRFWOCGNARONSX-MRXNPFEDSA-N 0 0 318.804 4.027 50 0 DIAARN Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000019736329 182140760 /nfs/dbraw/zinc/14/07/60/182140760.db2.gz KGDVKWYEVBGOSD-AWEZNQCLSA-N 0 0 312.413 4.107 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736507 182140909 /nfs/dbraw/zinc/14/09/09/182140909.db2.gz ZVBGGGZYOLJADR-UHFFFAOYSA-N 0 0 318.804 4.353 50 0 DIAARN CCOCCOc1ccc(NCc2cccc(OCC)c2)cc1 ZINC000019738431 182141096 /nfs/dbraw/zinc/14/10/96/182141096.db2.gz VQIRNTDXGQZEDW-UHFFFAOYSA-N 0 0 315.413 4.113 50 0 DIAARN COCCOc1cccc(NCCCc2ccccc2Cl)c1 ZINC000019737584 182141241 /nfs/dbraw/zinc/14/12/41/182141241.db2.gz SDCXRLWDMVLSDN-UHFFFAOYSA-N 0 0 319.832 4.410 50 0 DIAARN Cc1cc2c(c(C)c1Cl)CN(CCc1ccc(F)cc1)CO2 ZINC000019848814 182156364 /nfs/dbraw/zinc/15/63/64/182156364.db2.gz NHDPGXSLYXIUBR-UHFFFAOYSA-N 0 0 319.807 4.491 50 0 DIAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCCCC2)s1 ZINC000019819504 182154361 /nfs/dbraw/zinc/15/43/61/182154361.db2.gz PPNMJQMJPPSRLM-UHFFFAOYSA-N 0 0 320.483 4.125 50 0 DIAARN CCN(CC)C(=S)SCc1ccc(-c2csnn2)cc1 ZINC000019854907 182157330 /nfs/dbraw/zinc/15/73/30/182157330.db2.gz HOCVWOKLDOPNLL-UHFFFAOYSA-N 0 0 323.512 4.065 50 0 DIAARN C[C@H]1CC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2C1 ZINC000019957341 182170054 /nfs/dbraw/zinc/17/00/54/182170054.db2.gz UVYRJNUVMYXOKP-MRVPVSSYSA-N 0 0 322.195 4.292 50 0 DIAARN c1cn(C[C@H]2CCCCO2)nc1-c1cccc(-c2ccncc2)c1 ZINC000019939993 182168009 /nfs/dbraw/zinc/16/80/09/182168009.db2.gz LIMBIYDWODAZAS-LJQANCHMSA-N 0 0 319.408 4.181 50 0 DIAARN CCOP(=O)(OCC)[C@@H](Nc1ccccn1)c1ccco1 ZINC000020058699 182184310 /nfs/dbraw/zinc/18/43/10/182184310.db2.gz SOINDMYWMZEAJQ-CQSZACIVSA-N 0 0 310.290 4.051 50 0 DIAARN CSc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2F)cc1 ZINC000020029732 182181449 /nfs/dbraw/zinc/18/14/49/182181449.db2.gz MCOZWMAMEUCXRB-SNVBAGLBSA-N 0 0 307.365 4.178 50 0 DIAARN CCOC(=O)c1c(N)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000020136779 182190536 /nfs/dbraw/zinc/19/05/36/182190536.db2.gz IZPVSHRYNYUTNZ-UHFFFAOYSA-N 0 0 318.376 4.175 50 0 DIAARN CCc1nc2ccccc2n1[C@@H](CC)c1nc(C(C)(C)C)no1 ZINC000020166312 182194066 /nfs/dbraw/zinc/19/40/66/182194066.db2.gz SLGYNCSAJMUOJD-ZDUSSCGKSA-N 0 0 312.417 4.279 50 0 DIAARN CCCCN1Cc2c(C)c(C)sc2N(C(=O)c2ccco2)C1 ZINC000020192529 182196380 /nfs/dbraw/zinc/19/63/80/182196380.db2.gz DQASTENUFJGLPP-UHFFFAOYSA-N 0 0 318.442 4.178 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000020310220 182205169 /nfs/dbraw/zinc/20/51/69/182205169.db2.gz APKHPPGCPQHWRB-UHFFFAOYSA-N 0 0 321.739 4.082 50 0 DIAARN CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2F)no1 ZINC000020468014 182221747 /nfs/dbraw/zinc/22/17/47/182221747.db2.gz CJURHUGWZFJMJP-UHFFFAOYSA-N 0 0 311.744 4.409 50 0 DIAARN Cc1nc2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2s1 ZINC000020427099 182216496 /nfs/dbraw/zinc/21/64/96/182216496.db2.gz WJINXZWHWDNQOL-GFCCVEGCSA-N 0 0 315.225 4.127 50 0 DIAARN c1cc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)co1 ZINC000020451730 182218808 /nfs/dbraw/zinc/21/88/08/182218808.db2.gz YTESMFZHAICODK-UHFFFAOYSA-N 0 0 301.349 4.253 50 0 DIAARN O=C(NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 ZINC000020457686 182220120 /nfs/dbraw/zinc/22/01/20/182220120.db2.gz XHGXLWPXQBBPCW-UHFFFAOYSA-N 0 0 314.816 4.193 50 0 DIAARN CC(C)c1ccc(-c2c(=O)c(=O)c2N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000020510267 182225943 /nfs/dbraw/zinc/22/59/43/182225943.db2.gz ODXIXKZDBDQMRA-XJKSGUPXSA-N 0 0 311.425 4.064 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cccs1 ZINC000020536112 182228177 /nfs/dbraw/zinc/22/81/77/182228177.db2.gz SSAFEYSPCCMCGF-VIFPVBQESA-N 0 0 310.806 4.293 50 0 DIAARN S=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)NC1CC1 ZINC000020625947 182240154 /nfs/dbraw/zinc/24/01/54/182240154.db2.gz NMBGVROOAJYVPT-MRXNPFEDSA-N 0 0 316.857 4.056 50 0 DIAARN O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)c2c[nH]nc2N1 ZINC000020724907 182244473 /nfs/dbraw/zinc/24/44/73/182244473.db2.gz UGPVNWGKWLWVHL-NSHDSACASA-N 0 0 314.197 4.141 50 0 DIAARN COc1ccc(-c2ncnc3c(C)csc32)c2cccnc12 ZINC000020599734 182236463 /nfs/dbraw/zinc/23/64/63/182236463.db2.gz AEIUCQFUWUORBV-UHFFFAOYSA-N 0 0 307.378 4.224 50 0 DIAARN CCC(=O)Nc1cccc(-c2nc(-c3cccc(C)c3)no2)c1 ZINC000020900011 182252681 /nfs/dbraw/zinc/25/26/81/182252681.db2.gz JYGVDEPSVDGHHA-UHFFFAOYSA-N 0 0 307.353 4.061 50 0 DIAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(C)c1 ZINC000020900432 182252886 /nfs/dbraw/zinc/25/28/86/182252886.db2.gz ARITWVVTQCTQSM-KRWDZBQOSA-N 0 0 311.429 4.494 50 0 DIAARN Cc1oc(-c2cccs2)nc1CN1CCc2sccc2C1 ZINC000020906469 182253896 /nfs/dbraw/zinc/25/38/96/182253896.db2.gz YBSWGOLIFMNYDG-UHFFFAOYSA-N 0 0 316.451 4.331 50 0 DIAARN O=C(COc1cccc2[nH]ccc21)Nc1cccc2ccccc21 ZINC000020735697 182245213 /nfs/dbraw/zinc/24/52/13/182245213.db2.gz PRAXVVSRJOGJTM-UHFFFAOYSA-N 0 0 316.360 4.339 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1C(F)(F)F ZINC000020859034 182249873 /nfs/dbraw/zinc/24/98/73/182249873.db2.gz WWKJRFISFSBEIK-LLVKDONJSA-N 0 0 305.299 4.297 50 0 DIAARN Cc1cn2c(nc(CSc3ccc(Cl)cc3)cc2=O)s1 ZINC000020858771 182249984 /nfs/dbraw/zinc/24/99/84/182249984.db2.gz NWGIAILLSSFDKE-UHFFFAOYSA-N 0 0 322.842 4.010 50 0 DIAARN CCC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1ccccc1 ZINC000020861737 182250135 /nfs/dbraw/zinc/25/01/35/182250135.db2.gz BHICQTSQGIPNIA-OAHLLOKOSA-N 0 0 301.411 4.222 50 0 DIAARN CSc1cccc(NC(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000021087814 182264523 /nfs/dbraw/zinc/26/45/23/182264523.db2.gz LWCHDEIGCWQVMI-UHFFFAOYSA-N 0 0 319.455 4.388 50 0 DIAARN Cc1scc(CCNC(=O)Nc2cc(F)ccc2F)c1C ZINC000021088297 182264629 /nfs/dbraw/zinc/26/46/29/182264629.db2.gz VONRJMBNWUATBH-UHFFFAOYSA-N 0 0 310.369 4.007 50 0 DIAARN O=C(Nc1nc2c(s1)CCCCC2)Nc1cccc(F)c1 ZINC000021087867 182264684 /nfs/dbraw/zinc/26/46/84/182264684.db2.gz OLKUAKCBDCCMOV-UHFFFAOYSA-N 0 0 305.378 4.195 50 0 DIAARN CCc1ccccc1NC(=O)NCCc1csc(C)c1C ZINC000021088283 182264739 /nfs/dbraw/zinc/26/47/39/182264739.db2.gz UTPBLGNLQXHRMA-UHFFFAOYSA-N 0 0 302.443 4.292 50 0 DIAARN CCCCNC(=O)c1ccc(N2c3ccccc3C[C@@H]2C)s1 ZINC000020985987 182257348 /nfs/dbraw/zinc/25/73/48/182257348.db2.gz ULJUIRZUYGAXPE-ZDUSSCGKSA-N 0 0 314.454 4.361 50 0 DIAARN CCOc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1 ZINC000020997332 182258123 /nfs/dbraw/zinc/25/81/23/182258123.db2.gz RXMTZWZKJYFOKU-KRWDZBQOSA-N 0 0 324.380 4.098 50 0 DIAARN COc1ccc([C@@H](CC(=O)Nc2ccccc2)n2cccc2)cc1 ZINC000020997635 182258245 /nfs/dbraw/zinc/25/82/45/182258245.db2.gz IYUZSHNOAZSTCN-LJQANCHMSA-N 0 0 320.392 4.115 50 0 DIAARN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)NC1CCCCC1 ZINC000020998045 182258249 /nfs/dbraw/zinc/25/82/49/182258249.db2.gz AIOLDNFGBGNNBR-SFHVURJKSA-N 0 0 314.404 4.056 50 0 DIAARN CCOc1ccc2ncc3c(n[nH]c3-c3ccc(F)cc3)c2c1 ZINC000021365431 182273193 /nfs/dbraw/zinc/27/31/93/182273193.db2.gz NQONYHUHQYVECA-UHFFFAOYSA-N 0 0 307.328 4.316 50 0 DIAARN CC[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021392699 182273539 /nfs/dbraw/zinc/27/35/39/182273539.db2.gz YEHDTEZPMOEVOP-RDTXWAMCSA-N 0 0 311.450 4.013 50 0 DIAARN Cc1cc(C)c(C)c(S[C@@H](C)C(=O)NC2CCCC2)c1C ZINC000021327064 182272143 /nfs/dbraw/zinc/27/21/43/182272143.db2.gz UZPBOKVUHDUZJB-HNNXBMFYSA-N 0 0 305.487 4.460 50 0 DIAARN Cc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)s1 ZINC000021716048 182284939 /nfs/dbraw/zinc/28/49/39/182284939.db2.gz ROIKTDOQADWQOJ-UHFFFAOYSA-N 0 0 306.774 4.339 50 0 DIAARN COc1cccc(-c2noc3ncnc(NC4CCCCC4)c23)c1 ZINC000021714935 182284972 /nfs/dbraw/zinc/28/49/72/182284972.db2.gz ONTCYCJPPDQUFQ-UHFFFAOYSA-N 0 0 324.384 4.038 50 0 DIAARN Cc1cc([C@H]2CCCCN2Cc2coc(-c3ccccc3)n2)no1 ZINC000097785560 193758326 /nfs/dbraw/zinc/75/83/26/193758326.db2.gz CTGGOUPJHRMMBN-GOSISDBHSA-N 0 0 323.396 4.365 50 0 DIAARN CC(C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000021536274 182278920 /nfs/dbraw/zinc/27/89/20/182278920.db2.gz RVNBCBRSXVZLJH-QGZVFWFLSA-N 0 0 306.409 4.072 50 0 DIAARN CCOC(=O)c1cnc(N2CCc3ccccc32)c2ccccc12 ZINC000021650202 182281902 /nfs/dbraw/zinc/28/19/02/182281902.db2.gz ATESSPXNXRSEBJ-UHFFFAOYSA-N 0 0 318.376 4.106 50 0 DIAARN Cc1sc2ncnc(OCc3ccc(F)c(F)c3)c2c1C ZINC000021641413 182281984 /nfs/dbraw/zinc/28/19/84/182281984.db2.gz OFDUPTOGZHWXMV-UHFFFAOYSA-N 0 0 306.337 4.165 50 0 DIAARN Cc1ccc(NC(=O)c2ncoc2-c2cccs2)cc1F ZINC000021641851 182282236 /nfs/dbraw/zinc/28/22/36/182282236.db2.gz HOIXYTFJFKMOBF-UHFFFAOYSA-N 0 0 302.330 4.103 50 0 DIAARN Cc1nnc2c(SCc3ccccc3F)nc3ccccc3n12 ZINC000021658008 182282796 /nfs/dbraw/zinc/28/27/96/182282796.db2.gz UEYOUJUBPOAGRB-UHFFFAOYSA-N 0 0 324.384 4.017 50 0 DIAARN CCCc1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)no1 ZINC000021790759 182288868 /nfs/dbraw/zinc/28/88/68/182288868.db2.gz KPGHICAQLLDJRW-INIZCTEOSA-N 0 0 318.804 4.258 50 0 DIAARN COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1 ZINC000021786502 182289005 /nfs/dbraw/zinc/28/90/05/182289005.db2.gz NCRBJUQGHQTOGY-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H]1c1cccs1 ZINC000021790736 182289107 /nfs/dbraw/zinc/28/91/07/182289107.db2.gz OEQQNUKJBMMEIE-HNNXBMFYSA-N 0 0 324.405 4.380 50 0 DIAARN c1ccc(-c2noc(-c3cccnc3NC3CCCC3)n2)cc1 ZINC000021787726 182289163 /nfs/dbraw/zinc/28/91/63/182289163.db2.gz TXKVZPCEGGVPRI-UHFFFAOYSA-N 0 0 306.369 4.153 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000021796428 182289731 /nfs/dbraw/zinc/28/97/31/182289731.db2.gz ODZBRLWWEMHVKS-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN CC(C)(C)c1ccccc1NC(=O)c1cnc2ccccc2n1 ZINC000021888797 182296499 /nfs/dbraw/zinc/29/64/99/182296499.db2.gz HMMWKDMQQWXWFK-UHFFFAOYSA-N 0 0 305.381 4.180 50 0 DIAARN C[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 ZINC000021912622 182298026 /nfs/dbraw/zinc/29/80/26/182298026.db2.gz YDZUQOLJRBIJPH-CQSZACIVSA-N 0 0 310.372 4.048 50 0 DIAARN Oc1ccc(Cl)cc1-c1ccnc2cc(-c3ccccc3)nn21 ZINC000021729244 182287272 /nfs/dbraw/zinc/28/72/72/182287272.db2.gz BZGUKYITYSDSDC-UHFFFAOYSA-N 0 0 321.767 4.422 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C ZINC000022006551 182303552 /nfs/dbraw/zinc/30/35/52/182303552.db2.gz KMRRSZRBKNWLFC-AEFFLSMTSA-N 0 0 310.441 4.065 50 0 DIAARN CC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000022288619 182316571 /nfs/dbraw/zinc/31/65/71/182316571.db2.gz IJOYRKVNOLBLAF-UHFFFAOYSA-N 0 0 323.396 4.295 50 0 DIAARN CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000022314214 182316968 /nfs/dbraw/zinc/31/69/68/182316968.db2.gz VFKPETRCBHHTBB-LLVKDONJSA-N 0 0 315.417 4.107 50 0 DIAARN CCC[C@H]1CCc2c(sc(NC(=O)CC)c2C(=O)OCC)C1 ZINC000022321209 182317502 /nfs/dbraw/zinc/31/75/02/182317502.db2.gz KWJJLMSFEJGVAS-NSHDSACASA-N 0 0 323.458 4.178 50 0 DIAARN CCCc1cc(C(=O)OCC)c(NC(=O)CC2CCCC2)s1 ZINC000022319019 182317637 /nfs/dbraw/zinc/31/76/37/182317637.db2.gz NWBAHTXGWLAUFT-UHFFFAOYSA-N 0 0 323.458 4.396 50 0 DIAARN O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000022328554 182318108 /nfs/dbraw/zinc/31/81/08/182318108.db2.gz BYQZVXPXOVTQJH-MRXNPFEDSA-N 0 0 303.764 4.456 50 0 DIAARN CC(C)[C@@H](C)NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022330771 182318916 /nfs/dbraw/zinc/31/89/16/182318916.db2.gz BVSLLVDVYTZYBD-CYBMUJFWSA-N 0 0 314.429 4.413 50 0 DIAARN CC(C)(C)c1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1 ZINC000022331480 182318940 /nfs/dbraw/zinc/31/89/40/182318940.db2.gz DTAGJWPROVHQMV-UHFFFAOYSA-N 0 0 312.413 4.312 50 0 DIAARN CCCc1cc(C(=O)OCC)c(NC(=O)c2ccccc2)s1 ZINC000022342889 182319611 /nfs/dbraw/zinc/31/96/11/182319611.db2.gz GEEADKRERONKBR-UHFFFAOYSA-N 0 0 317.410 4.130 50 0 DIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1 ZINC000022344750 182319776 /nfs/dbraw/zinc/31/97/76/182319776.db2.gz WJLFFJSACKNJGK-UHFFFAOYSA-N 0 0 317.410 4.301 50 0 DIAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cn1 ZINC000022415384 182320563 /nfs/dbraw/zinc/32/05/63/182320563.db2.gz QCWIJFKUTCUCKG-UHFFFAOYSA-N 0 0 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Cc1cc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)on1 ZINC000058246537 184094518 /nfs/dbraw/zinc/09/45/18/184094518.db2.gz LWRKFKRJJMTWKP-CQSZACIVSA-N 0 0 305.403 4.098 50 0 DIAARN Cc1nc2cc(NC(=O)[C@]3(C)CCCc4ccccc43)ccc2o1 ZINC000058323559 184105293 /nfs/dbraw/zinc/10/52/93/184105293.db2.gz BFKULHAAHQOQAJ-HXUWFJFHSA-N 0 0 320.392 4.369 50 0 DIAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCc2ccccc21 ZINC000058407117 184114130 /nfs/dbraw/zinc/11/41/30/184114130.db2.gz XZDWPQISOLDHCJ-QGZVFWFLSA-N 0 0 321.420 4.095 50 0 DIAARN CCC[C@@H]1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000058417734 184115502 /nfs/dbraw/zinc/11/55/02/184115502.db2.gz VUCDEXWRLSPLLZ-CQSZACIVSA-N 0 0 314.429 4.219 50 0 DIAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1nccc2ccccc21 ZINC000058420085 184115876 /nfs/dbraw/zinc/11/58/76/184115876.db2.gz DWDDCCKXYHLIAV-ZIAGYGMSSA-N 0 0 322.330 4.086 50 0 DIAARN COCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000058431533 184117641 /nfs/dbraw/zinc/11/76/41/184117641.db2.gz MWHPEDSWIYVBAH-KGLIPLIRSA-N 0 0 315.335 4.140 50 0 DIAARN COCc1cccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000058895097 184130761 /nfs/dbraw/zinc/13/07/61/184130761.db2.gz VZJFORBVQIRCBH-CYBMUJFWSA-N 0 0 324.380 4.462 50 0 DIAARN CNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2 ZINC000058564699 184122858 /nfs/dbraw/zinc/12/28/58/184122858.db2.gz IZRHPMPVKKSEMF-FYWRMAATSA-N 0 0 314.388 4.081 50 0 DIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2nccc3ccccc32)c1 ZINC000060201261 184145257 /nfs/dbraw/zinc/14/52/57/184145257.db2.gz SZONGEAERCIROP-UHFFFAOYSA-N 0 0 320.392 4.490 50 0 DIAARN c1ccc2c(c1)CCC[C@@H]2Sc1nnc(NC2CC2)s1 ZINC000058987099 184133499 /nfs/dbraw/zinc/13/34/99/184133499.db2.gz XTYMRABYNLZBPB-ZDUSSCGKSA-N 0 0 303.456 4.282 50 0 DIAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccncc1 ZINC000059352664 184137499 /nfs/dbraw/zinc/13/74/99/184137499.db2.gz CGFQYFSKVRKDKC-UHFFFAOYSA-N 0 0 324.405 4.461 50 0 DIAARN Cc1cccnc1NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000059895369 184142431 /nfs/dbraw/zinc/14/24/31/184142431.db2.gz RUMOPXLGUZHDQM-UHFFFAOYSA-N 0 0 307.397 4.421 50 0 DIAARN FC(F)(F)COCCCSc1nc2cc(Cl)ccc2[nH]1 ZINC000059960800 184143285 /nfs/dbraw/zinc/14/32/85/184143285.db2.gz LRZIOZQEEVBNHX-UHFFFAOYSA-N 0 0 324.755 4.277 50 0 DIAARN CC(=O)N1N=C(C(C)(C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000060101693 184144551 /nfs/dbraw/zinc/14/45/51/184144551.db2.gz AMFUGOFTPJBZRJ-CYBMUJFWSA-N 0 0 323.234 4.145 50 0 DIAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)(C)C ZINC000061037266 184160543 /nfs/dbraw/zinc/16/05/43/184160543.db2.gz BXEYNVUJPQUVTR-UHFFFAOYSA-N 0 0 308.834 4.300 50 0 DIAARN Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1F ZINC000061120211 184162542 /nfs/dbraw/zinc/16/25/42/184162542.db2.gz VMDKDBRIXFZUBL-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCO3)C1(C)C ZINC000061242721 184166871 /nfs/dbraw/zinc/16/68/71/184166871.db2.gz FHQPLJZUZCSGSW-FDQGKXFDSA-N 0 0 313.441 4.037 50 0 DIAARN O=C(Cc1noc2ccccc12)Oc1cccc2ccccc21 ZINC000061430505 184170929 /nfs/dbraw/zinc/17/09/29/184170929.db2.gz KHEXSIPYATUIAV-UHFFFAOYSA-N 0 0 303.317 4.129 50 0 DIAARN CNc1nc2c(s1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000061719546 184185449 /nfs/dbraw/zinc/18/54/49/184185449.db2.gz CQBLLNXLEGNJNV-ZCFIWIBFSA-N 0 0 311.769 4.101 50 0 DIAARN CNc1nc2c(s1)[C@H](c1cc(Cl)ccc1F)CC(=O)N2 ZINC000061718711 184185530 /nfs/dbraw/zinc/18/55/30/184185530.db2.gz BXNCGCUTPBSRIE-QMMMGPOBSA-N 0 0 311.769 4.101 50 0 DIAARN CCN(C(=O)c1ccc(Br)o1)c1cc(C)cc(C)c1 ZINC000062582555 184244333 /nfs/dbraw/zinc/24/43/33/184244333.db2.gz DJPRZWHJNBCTDH-UHFFFAOYSA-N 0 0 322.202 4.326 50 0 DIAARN CCCCO[C@@H](C)C(=O)Nc1nc2ccc(CC)cc2s1 ZINC000062581900 184244619 /nfs/dbraw/zinc/24/46/19/184244619.db2.gz WWSWPPTWESAYTF-NSHDSACASA-N 0 0 306.431 4.002 50 0 DIAARN FC1(F)[C@](F)(Cl)[C@@](F)(Cl)[C@@](F)(Cl)[C@@]1(F)Cl ZINC000063148482 184273838 /nfs/dbraw/zinc/27/38/38/184273838.db2.gz SQOAFOCEKCANLU-YCAKELIYSA-N 0 0 315.855 4.254 50 0 DIAARN O=C(CSCc1csc(C2CCCC2)n1)NC1CCCC1 ZINC000063898687 184290463 /nfs/dbraw/zinc/29/04/63/184290463.db2.gz LDXFHIHNKXPYTB-UHFFFAOYSA-N 0 0 324.515 4.093 50 0 DIAARN CC[C@@H](C)NC(=O)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000064677530 184302964 /nfs/dbraw/zinc/30/29/64/184302964.db2.gz DGNPOHJHJWETRV-LLVKDONJSA-N 0 0 300.427 4.216 50 0 DIAARN COc1cccc(Nc2ncnc3c(-c4ccccc4)noc32)c1 ZINC000064820816 184304014 /nfs/dbraw/zinc/30/40/14/184304014.db2.gz XPGLYGIUMBKESL-UHFFFAOYSA-N 0 0 318.336 4.037 50 0 DIAARN Cc1ccc(NC(=O)c2cccn2-c2cccnc2C)cc1C ZINC000064839230 184304386 /nfs/dbraw/zinc/30/43/86/184304386.db2.gz LMRPJUCEQRGPIV-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN O=C(/C=C/c1cscn1)Oc1ccccc1Cc1ccccc1 ZINC000064866507 184305163 /nfs/dbraw/zinc/30/51/63/184305163.db2.gz AJWQCCSHLHJXGJ-ZHACJKMWSA-N 0 0 321.401 4.353 50 0 DIAARN CCCC(C)(C)NC(=O)c1sc(Cc2ccccc2)nc1C ZINC000065041483 184309252 /nfs/dbraw/zinc/30/92/52/184309252.db2.gz LEQGFCNSCLIETO-UHFFFAOYSA-N 0 0 316.470 4.351 50 0 DIAARN COc1ccc2oc(-c3noc(-c4ccccc4)n3)c(C)c2c1 ZINC000065097319 184310727 /nfs/dbraw/zinc/31/07/27/184310727.db2.gz JPESVSJKBAHNEW-UHFFFAOYSA-N 0 0 306.321 4.467 50 0 biogenic DIAARN Cc1ccc(C(=O)NCc2cccnc2-c2ccc(F)cc2)cc1 ZINC000065171340 184313559 /nfs/dbraw/zinc/31/35/59/184313559.db2.gz UHJYBLBSNLRUFP-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN c1c(COc2ccc3ncccc3c2)onc1-c1ccccc1 ZINC000065206047 184314465 /nfs/dbraw/zinc/31/44/65/184314465.db2.gz AOFUOFGAFNDPLZ-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN Cc1ccc(-c2noc(-c3ccc(NC4CCCC4)nc3)n2)cc1 ZINC000064676776 184302369 /nfs/dbraw/zinc/30/23/69/184302369.db2.gz UVMVFZRVRBCIBW-UHFFFAOYSA-N 0 0 320.396 4.462 50 0 DIAARN O=C(C1CCCC1)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000064678071 184302885 /nfs/dbraw/zinc/30/28/85/184302885.db2.gz IWRNFHRADBTCTM-UHFFFAOYSA-N 0 0 319.420 4.023 50 0 DIAARN CC(C)c1nc(CN(C)Cc2ccc3ccccc3n2)cs1 ZINC000065395020 184334582 /nfs/dbraw/zinc/33/45/82/184334582.db2.gz UPFHUGSUTKFBRA-UHFFFAOYSA-N 0 0 311.454 4.447 50 0 DIAARN CC(C)n1cnc2ccc(-c3noc(-c4cccc(F)c4)n3)cc21 ZINC000065240631 184317797 /nfs/dbraw/zinc/31/77/97/184317797.db2.gz FQBHMFRYQFABPE-UHFFFAOYSA-N 0 0 322.343 4.473 50 0 DIAARN CCCn1cnc2ccc(-c3noc(-c4ccccc4F)n3)cc21 ZINC000065240664 184317798 /nfs/dbraw/zinc/31/77/98/184317798.db2.gz FUFLDHZPAQKLNJ-UHFFFAOYSA-N 0 0 322.343 4.302 50 0 DIAARN COc1cc2nc(-c3ccccc3)c(NC3CCCCC3)n2cn1 ZINC000065321077 184324795 /nfs/dbraw/zinc/32/47/95/184324795.db2.gz AWPDMTZPHCIWEG-UHFFFAOYSA-N 0 0 322.412 4.150 50 0 DIAARN COc1c(Br)ccc(OCc2ccccc2)c1F ZINC000065337298 184324837 /nfs/dbraw/zinc/32/48/37/184324837.db2.gz YQSYBUBTVOCLQD-UHFFFAOYSA-N 0 0 311.150 4.176 50 0 DIAARN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1)CC(C)(C)O2 ZINC000065364028 184328819 /nfs/dbraw/zinc/32/88/19/184328819.db2.gz KSLCSMDWMFVZJA-INIZCTEOSA-N 0 0 310.397 4.419 50 0 DIAARN CC(C)c1ccccc1OCC(=O)Nc1c(F)cccc1F ZINC000065363746 184328909 /nfs/dbraw/zinc/32/89/09/184328909.db2.gz SDQXOSHFZMOGIU-UHFFFAOYSA-N 0 0 305.324 4.106 50 0 DIAARN COc1cccc(-c2c(-c3ccccc3)ncn2CCF)c1F ZINC000065371937 184330205 /nfs/dbraw/zinc/33/02/05/184330205.db2.gz IAKYMMHXQYMQQP-UHFFFAOYSA-N 0 0 314.335 4.334 50 0 DIAARN Cc1cnc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(Cl)c1 ZINC000065373020 184330660 /nfs/dbraw/zinc/33/06/60/184330660.db2.gz SEIPOAPUFNLROQ-AWEZNQCLSA-N 0 0 316.832 4.104 50 0 DIAARN Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)ncn2CCCO)o1 ZINC000065380622 184332015 /nfs/dbraw/zinc/33/20/15/184332015.db2.gz LWRCYEKAAYHMKS-HNNXBMFYSA-N 0 0 324.424 4.180 50 0 DIAARN CC[C@@H](c1cccnc1)N(C)Cc1ccc(C(F)(F)F)nc1 ZINC000065407264 184338808 /nfs/dbraw/zinc/33/88/08/184338808.db2.gz MSCNVCFSCAQEPF-AWEZNQCLSA-N 0 0 309.335 4.079 50 0 DIAARN CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)o1 ZINC000065410020 184339985 /nfs/dbraw/zinc/33/99/85/184339985.db2.gz STYJKCHIYSMDFZ-UHFFFAOYSA-N 0 0 318.380 4.144 50 0 DIAARN CC[C@H](CO)N(Cc1ccsc1)Cc1nc(C(C)C)cs1 ZINC000065420449 184341051 /nfs/dbraw/zinc/34/10/51/184341051.db2.gz YUTKSEHIOVQLNU-CQSZACIVSA-N 0 0 324.515 4.101 50 0 DIAARN Cc1ccoc1C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065420981 184342138 /nfs/dbraw/zinc/34/21/38/184342138.db2.gz BGIDSYLORLZOQV-HXUWFJFHSA-N 0 0 323.392 4.059 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)o1 ZINC000065474587 184351460 /nfs/dbraw/zinc/35/14/60/184351460.db2.gz PUPQXHSAPMVSTR-FOSUXSCJSA-N 0 0 314.410 4.389 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)o1 ZINC000065474589 184351518 /nfs/dbraw/zinc/35/15/18/184351518.db2.gz PUPQXHSAPMVSTR-HIGLLMRHSA-N 0 0 314.410 4.389 50 0 DIAARN Cc1cnc(C)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 ZINC000065398893 184336553 /nfs/dbraw/zinc/33/65/53/184336553.db2.gz HNXKKFTWMQVTHR-UHFFFAOYSA-N 0 0 311.429 4.019 50 0 DIAARN CCSCCn1cnc(-c2ccccc2)c1-c1cccnc1 ZINC000065398500 184336583 /nfs/dbraw/zinc/33/65/83/184336583.db2.gz PGILAQCAQSIHCB-UHFFFAOYSA-N 0 0 309.438 4.365 50 0 DIAARN Cc1nccn1Cc1ccc(NC(=O)c2cccc(C)c2C)cc1 ZINC000065530920 184361439 /nfs/dbraw/zinc/36/14/39/184361439.db2.gz RTGSXKHPDANXLR-UHFFFAOYSA-N 0 0 319.408 4.109 50 0 DIAARN Cc1noc(C)c1-c1nc(C2CC2)nn1-c1ccc(C)cc1C ZINC000065508557 184357070 /nfs/dbraw/zinc/35/70/70/184357070.db2.gz IYJAMSNYRBSDJW-UHFFFAOYSA-N 0 0 308.385 4.033 50 0 DIAARN Cc1ccccc1NC(=O)NCCc1coc(-c2ccccc2)n1 ZINC000065621335 184374731 /nfs/dbraw/zinc/37/47/31/184374731.db2.gz XZHOQFSCCAAEAV-UHFFFAOYSA-N 0 0 321.380 4.014 50 0 DIAARN COc1ccc(N(C)C(=O)c2sccc2-c2ccccc2)cn1 ZINC000065741108 184378480 /nfs/dbraw/zinc/37/84/80/184378480.db2.gz VFKAZMJXSMYMGO-UHFFFAOYSA-N 0 0 324.405 4.095 50 0 DIAARN COc1ccc2cc(C(=O)N(C)c3cc(C)cc(C)c3)[nH]c2c1 ZINC000065861568 184381722 /nfs/dbraw/zinc/38/17/22/184381722.db2.gz ZBXIEEVPDSVZHC-UHFFFAOYSA-N 0 0 308.381 4.070 50 0 DIAARN CC1CCC(N(C(=O)Cc2cccc3cccnc32)C2CC2)CC1 ZINC000065903676 184382332 /nfs/dbraw/zinc/38/23/32/184382332.db2.gz SBXUFXNTPKLMIS-UHFFFAOYSA-N 0 0 322.452 4.347 50 0 DIAARN Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccc1C ZINC000066554020 184414271 /nfs/dbraw/zinc/41/42/71/184414271.db2.gz HYWZIZPYDGSGCQ-UHFFFAOYSA-N 0 0 322.433 4.357 50 0 DIAARN COc1ccccc1-c1ccnc2c(-c3ccccc3)cnn21 ZINC000067630524 184475189 /nfs/dbraw/zinc/47/51/89/184475189.db2.gz IFQJXTVIFTXZAI-UHFFFAOYSA-N 0 0 301.349 4.072 50 0 DIAARN CC[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1c(C)noc1C ZINC000069457479 184516708 /nfs/dbraw/zinc/51/67/08/184516708.db2.gz PEAMTNBKTKKZJW-ZDUSSCGKSA-N 0 0 324.327 4.025 50 0 DIAARN COCc1ccccc1NC(=O)N(Cc1ccccc1)C(C)C ZINC000069560882 184525602 /nfs/dbraw/zinc/52/56/02/184525602.db2.gz BMUARFAFYLLOCH-UHFFFAOYSA-N 0 0 312.413 4.276 50 0 DIAARN Cc1cscc1C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000158652993 197291794 /nfs/dbraw/zinc/29/17/94/197291794.db2.gz YJKWXJIDBFVOGW-UHFFFAOYSA-N 0 0 317.801 4.148 50 0 DIAARN COCC1(N(C)C(=O)Nc2ccc(-c3ccc(C)cc3)cc2)CC1 ZINC000299778749 533145003 /nfs/dbraw/zinc/14/50/03/533145003.db2.gz NZVGVISASPQKDB-UHFFFAOYSA-N 0 0 324.424 4.305 50 0 DIAARN Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2)c(C)s1 ZINC000028356223 256531220 /nfs/dbraw/zinc/53/12/20/256531220.db2.gz IZTFLFJPXOQRNR-QWHCGFSZSA-N 0 0 302.443 4.486 50 0 DIAARN Cc1cccc(O)c1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000179565853 256590678 /nfs/dbraw/zinc/59/06/78/256590678.db2.gz LPPGGZUPRFMIJO-UHFFFAOYSA-N 0 0 320.348 4.140 50 0 DIAARN CCOc1ccc(OCC)c(NC(=O)Nc2ccccc2C)c1 ZINC000000401532 257234298 /nfs/dbraw/zinc/23/42/98/257234298.db2.gz UOVFMXVZCAPJMH-UHFFFAOYSA-N 0 0 314.385 4.436 50 0 DIAARN COc1ccc(O)c(-c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000524734670 257213194 /nfs/dbraw/zinc/21/31/94/257213194.db2.gz AVSWZIMQNAHVQN-UHFFFAOYSA-N 0 0 300.745 4.111 50 0 DIAARN Nc1ncc(C2(c3ccc(Br)cc3)CCCC2)s1 ZINC000034791115 257213250 /nfs/dbraw/zinc/21/32/50/257213250.db2.gz DNPJOZHPHVPXNB-UHFFFAOYSA-N 0 0 323.259 4.348 50 0 DIAARN CN1C(=S)S[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000019632802 257241776 /nfs/dbraw/zinc/24/17/76/257241776.db2.gz VWLWUCKZXTYFGA-CVEARBPZSA-N 0 0 314.479 4.279 50 0 in-vitro DIAARN CC(=O)c1c(-c2ccccc2OCc2cccc(F)c2)cnn1C ZINC000426705667 257243478 /nfs/dbraw/zinc/24/34/78/257243478.db2.gz JFTGJMJRZIJYAL-UHFFFAOYSA-N 0 0 324.355 4.008 50 0 DIAARN CCOCCCNC(=O)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426656943 257244632 /nfs/dbraw/zinc/24/46/32/257244632.db2.gz LOSAJQKRSDPYDX-UHFFFAOYSA-N 0 0 323.392 4.256 50 0 DIAARN CCCCN(Cc1sccc1C)C(=O)c1cc(Cl)c[nH]1 ZINC000426581035 257246001 /nfs/dbraw/zinc/24/60/01/257246001.db2.gz UDHQDWDYWDWBGJ-UHFFFAOYSA-N 0 0 310.850 4.481 50 0 DIAARN CCCN(CC1CC1)C(=O)c1ccc(-c2ccccc2CO)cc1 ZINC000426537757 257246820 /nfs/dbraw/zinc/24/68/20/257246820.db2.gz UXRGBYGXYQPCSS-UHFFFAOYSA-N 0 0 323.436 4.108 50 0 DIAARN CCCCCCOc1ccc(-c2cc(=O)[nH]cn2)c(F)c1F ZINC000426465433 257249273 /nfs/dbraw/zinc/24/92/73/257249273.db2.gz JTADEQMKFAYCFH-UHFFFAOYSA-N 0 0 308.328 4.087 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(F)cc2Cl)nn1[C@H](C)C1CC1 ZINC000408513814 257255899 /nfs/dbraw/zinc/25/58/99/257255899.db2.gz LMKFHUGWLZBJTN-SNVBAGLBSA-N 0 0 321.783 4.207 50 0 DIAARN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 ZINC000240534562 257259948 /nfs/dbraw/zinc/25/99/48/257259948.db2.gz GOOFIQYVTAQVSG-MORSLUCNSA-N 0 0 309.409 4.139 50 0 DIAARN CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccccc2)c1C ZINC000362323710 257260994 /nfs/dbraw/zinc/26/09/94/257260994.db2.gz ZHKGLCFGPKPTRR-CHWSQXEVSA-N 0 0 300.406 4.045 50 0 DIAARN Cc1cc(C)cc(OC(=O)c2ccccc2Br)c1 ZINC000000129725 257266381 /nfs/dbraw/zinc/26/63/81/257266381.db2.gz KOTWQNAVUIRSOR-UHFFFAOYSA-N 0 0 305.171 4.285 50 0 DIAARN Cc1cc(NC(=O)NC2CCCCC2)ccc1Br ZINC000000388966 257266559 /nfs/dbraw/zinc/26/65/59/257266559.db2.gz HUJKXVVMNUMLFR-UHFFFAOYSA-N 0 0 311.223 4.212 50 0 DIAARN COc1ccc(COC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000004771207 257267649 /nfs/dbraw/zinc/26/76/49/257267649.db2.gz DLRINIUVZKGLBS-UHFFFAOYSA-N 0 0 305.761 4.406 50 0 DIAARN COC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000058306379 257270158 /nfs/dbraw/zinc/27/01/58/257270158.db2.gz PCFJNSVTHTVUGE-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000089522677 257271574 /nfs/dbraw/zinc/27/15/74/257271574.db2.gz PWUNQOFRXOOEAP-AWEZNQCLSA-N 0 0 318.808 4.049 50 0 DIAARN 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Cc1ccc2nc(C3CC3)cc(C(=O)N(C)[C@H](C)C3CC3)c2c1 ZINC000176545549 341885577 /nfs/dbraw/zinc/88/55/77/341885577.db2.gz XFVQDBAQRAUDMQ-CYBMUJFWSA-N 0 0 308.425 4.291 50 0 DIAARN Cc1n[nH]c(C)c1NC(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000176574271 341888920 /nfs/dbraw/zinc/88/89/20/341888920.db2.gz FRRGJBXSENENBE-UHFFFAOYSA-N 0 0 320.396 4.013 50 0 DIAARN CC(C)n1ccc(C(=O)N(CCC2=CCCCC2)CC2CC2)n1 ZINC000214958104 519990443 /nfs/dbraw/zinc/99/04/43/519990443.db2.gz SVEBETDZLFTXCH-UHFFFAOYSA-N 0 0 315.461 4.207 50 0 DIAARN CCSc1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1 ZINC000073991047 521769257 /nfs/dbraw/zinc/76/92/57/521769257.db2.gz OGXHTSPPWWMDKU-LBPRGKRZSA-N 0 0 301.415 4.076 50 0 DIAARN CC[C@@H](C)c1ccccc1OC[C@H](O)CSc1ccccn1 ZINC000016839869 522439463 /nfs/dbraw/zinc/43/94/63/522439463.db2.gz CYLFCYUGWXBBNM-CABCVRRESA-N 0 0 317.454 4.127 50 0 DIAARN Cc1ccccc1[C@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000181114268 525438352 /nfs/dbraw/zinc/43/83/52/525438352.db2.gz WDPJAUBQJWMPBF-GOSISDBHSA-N 0 0 322.456 4.136 50 0 DIAARN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCCC(F)(F)C2)n1 ZINC000328586283 526740782 /nfs/dbraw/zinc/74/07/82/526740782.db2.gz OZRREXUFGCAITM-SRVKXCTJSA-N 0 0 314.376 4.281 50 0 DIAARN Cc1oc(C(C)C)cc1C(=O)N(C)[C@H]1CCCc2cccnc21 ZINC000367676490 526763694 /nfs/dbraw/zinc/76/36/94/526763694.db2.gz WRPKOGOATNUDSG-INIZCTEOSA-N 0 0 312.413 4.256 50 0 DIAARN O=C(c1csc(Cl)c1)N(c1ccccn1)C1CCCC1 ZINC000188016717 526905094 /nfs/dbraw/zinc/90/50/94/526905094.db2.gz IIKMHEOZHSWGQN-UHFFFAOYSA-N 0 0 306.818 4.386 50 0 DIAARN CC[C@@H]1C=CCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000299772842 529266219 /nfs/dbraw/zinc/26/62/19/529266219.db2.gz CKCFOLUMHSSWPE-LLVKDONJSA-N 0 0 316.348 4.481 50 0 DIAARN CSc1ccc([C@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000000423947 563612114 /nfs/dbraw/zinc/61/21/14/563612114.db2.gz JMRMWJOGPJSMAU-MRXNPFEDSA-N 0 0 301.436 4.187 50 0 DIAARN Cc1[nH]nc2c1[C@@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000044893381 563686148 /nfs/dbraw/zinc/68/61/48/563686148.db2.gz IESPUGYWEZQKBC-OAHLLOKOSA-N 0 0 301.415 4.266 50 0 DIAARN CCC[C@@H](C)N(C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000048256091 563693884 /nfs/dbraw/zinc/69/38/84/563693884.db2.gz QOQZIVLSDZPOFP-CQSZACIVSA-N 0 0 319.449 4.242 50 0 DIAARN O=C(Nc1nccs1)c1ccc(-c2ccccc2Cl)o1 ZINC000000800875 563716734 /nfs/dbraw/zinc/71/67/34/563716734.db2.gz JVPTXRIDTOXHSR-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 aggregator DIAARN CC(C)(C)c1cc(COC(=O)CCCc2ccccc2)no1 ZINC000225690505 563759976 /nfs/dbraw/zinc/75/99/76/563759976.db2.gz NHKOQMJFYHEBRV-UHFFFAOYSA-N 0 0 301.386 4.038 50 0 DIAARN CSc1nc(Cl)ccc1C(=O)N[C@H](C)c1ccccc1C ZINC000075108432 563859555 /nfs/dbraw/zinc/85/95/55/563859555.db2.gz PKIMVJKOMDKQPY-LLVKDONJSA-N 0 0 320.845 4.256 50 0 DIAARN O=C(Cc1ccc(Cl)s1)Nc1nc2ccccc2s1 ZINC000010060873 563909189 /nfs/dbraw/zinc/90/91/89/563909189.db2.gz RPMXFMRHDPBYES-UHFFFAOYSA-N 0 0 308.815 4.192 50 0 DIAARN CCCN(CCC)C(=O)C[C@H](c1ccc(OC)cc1)C(C)C ZINC000002447817 563928853 /nfs/dbraw/zinc/92/88/53/563928853.db2.gz FPYQXZODMUJRPI-SFHVURJKSA-N 0 0 305.462 4.474 50 0 DIAARN Cc1cccc(C)c1[N-]C(=S)OCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000096027795 563935019 /nfs/dbraw/zinc/93/50/19/563935019.db2.gz LOZHHARHRPPQGG-HZPDHXFCSA-N 0 0 320.502 4.280 50 0 DIAARN CC[C@H](C)c1ccc([C@H](CC)NC(=S)NCCCOC)cc1 ZINC000002780393 563940703 /nfs/dbraw/zinc/94/07/03/563940703.db2.gz SCWOQYXJVNCEKF-YOEHRIQHSA-N 0 0 322.518 4.152 50 0 DIAARN CC(C)Oc1ccc(NC(=O)Cc2cccs2)cc1Cl ZINC000031957060 563944937 /nfs/dbraw/zinc/94/49/37/563944937.db2.gz UWZAHIACZDIUKV-UHFFFAOYSA-N 0 0 309.818 4.370 50 0 DIAARN COc1ccc(NC(=O)CCc2ccccc2F)cc1Cl ZINC000008269749 563947574 /nfs/dbraw/zinc/94/75/74/563947574.db2.gz GPNSCKDNMMSANE-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN O=C(CCc1ccsc1)Nc1ccccc1OC(F)(F)F ZINC000009337212 563955094 /nfs/dbraw/zinc/95/50/94/563955094.db2.gz KMUDMLFASINTCS-UHFFFAOYSA-N 0 0 315.316 4.218 50 0 DIAARN Cc1ccc(NC(=O)c2c(N)sc3c2CCCCC3)cc1 ZINC000000282372 563235899 /nfs/dbraw/zinc/23/58/99/563235899.db2.gz SCABOVJIFOILBD-UHFFFAOYSA-N 0 0 300.427 4.160 50 0 DIAARN Cc1cc(Br)c(C(C)C)c(Br)c1O ZINC000000169779 563226786 /nfs/dbraw/zinc/22/67/86/563226786.db2.gz RNTABDMPJXRYJI-UHFFFAOYSA-N 0 0 308.013 4.349 50 0 DIAARN COc1ccc(C)cc1NC(=O)Nc1ccc(SC)cc1 ZINC000000399722 563251118 /nfs/dbraw/zinc/25/11/18/563251118.db2.gz VZCFYCVRGUQYLS-UHFFFAOYSA-N 0 0 302.399 4.370 50 0 DIAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 ZINC000000470290 563260532 /nfs/dbraw/zinc/26/05/32/563260532.db2.gz XOTGLLSJMVIBDK-ZDUSSCGKSA-N 0 0 301.411 4.123 50 0 DIAARN Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1C ZINC000000615681 563270060 /nfs/dbraw/zinc/27/00/60/563270060.db2.gz HRDVLZYPSYLNPT-UHFFFAOYSA-N 0 0 303.402 4.314 50 0 DIAARN CCCC(CCC)C(=O)NCCc1c[nH]c2ccc(C)cc12 ZINC000002202697 563301725 /nfs/dbraw/zinc/30/17/25/563301725.db2.gz GPASTFKKYJALFN-UHFFFAOYSA-N 0 0 300.446 4.351 50 0 DIAARN O=C(c1cccc(CN2CCC2)c1)c1ccc(Cl)cc1Cl ZINC000002515140 563305880 /nfs/dbraw/zinc/30/58/80/563305880.db2.gz ZLLHEKSNNAOOEB-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN COc1ccccc1C(=O)CCc1ccc(Br)cc1 ZINC000002516748 563306629 /nfs/dbraw/zinc/30/66/29/563306629.db2.gz ZXAUGTTULHEKLQ-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN CCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000002518090 563307203 /nfs/dbraw/zinc/30/72/03/563307203.db2.gz NWLRUEPDHZWVSE-UHFFFAOYSA-N 0 0 304.430 4.391 50 0 DIAARN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000002984977 563345216 /nfs/dbraw/zinc/34/52/16/563345216.db2.gz DABSNSNRASCIJE-UHFFFAOYSA-N 0 0 323.820 4.142 50 0 DIAARN CCN(CC)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000072055277 563418432 /nfs/dbraw/zinc/41/84/32/563418432.db2.gz RYJLBVLMLDBOHI-UHFFFAOYSA-N 0 0 309.841 4.204 50 0 DIAARN CC(C)(C)OC(=O)Nc1ccc(Br)cc1Cl ZINC000074938036 563504036 /nfs/dbraw/zinc/50/40/36/563504036.db2.gz MMEJPTJXEPYWQC-UHFFFAOYSA-N 0 0 306.587 4.450 50 0 DIAARN CCc1ccccc1NC(=S)NC(=O)c1ccccc1Cl ZINC000000063526 563212446 /nfs/dbraw/zinc/21/24/46/563212446.db2.gz IQIDXQVMWSSGQA-UHFFFAOYSA-N 0 0 318.829 4.029 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1C ZINC000000248037 563233540 /nfs/dbraw/zinc/23/35/40/563233540.db2.gz HOSUCLCHIDHMKH-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC000000035984 563211302 /nfs/dbraw/zinc/21/13/02/563211302.db2.gz CDPPLUXLEPLBEO-BXUZGUMPSA-N 0 0 324.262 4.394 50 0 DIAARN Cc1ccccc1OC(=O)COc1ccc(Cl)cc1Cl ZINC000000038469 563211488 /nfs/dbraw/zinc/21/14/88/563211488.db2.gz ZCMHOGZDHOCCSA-UHFFFAOYSA-N 0 0 311.164 4.286 50 0 DIAARN COc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042009 563211499 /nfs/dbraw/zinc/21/14/99/563211499.db2.gz SDANUTMYSINJJL-AAEUAGOBSA-N 0 0 314.212 4.225 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000000049796 563211816 /nfs/dbraw/zinc/21/18/16/563211816.db2.gz HEAVOBMAHAYADT-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN Nc1c(C(=O)c2ccc(Br)s2)oc2ccccc12 ZINC000000054871 563211978 /nfs/dbraw/zinc/21/19/78/563211978.db2.gz UHWVSUDPAPFTIL-UHFFFAOYSA-N 0 0 322.183 4.070 50 0 DIAARN CC1=CC(C)(C)N([C@@H](O)C(Cl)(Cl)Cl)c2ccccc21 ZINC000000055075 563212023 /nfs/dbraw/zinc/21/20/23/563212023.db2.gz YMLNQLYJTIAVAD-LBPRGKRZSA-N 0 0 320.647 4.377 50 0 DIAARN Cc1nn2c(nc(C)c(-c3ccccc3)c2N)c1-c1ccccc1 ZINC000000051619 563212039 /nfs/dbraw/zinc/21/20/39/563212039.db2.gz COYLEYRJZHTLTR-UHFFFAOYSA-N 0 0 314.392 4.262 50 0 DIAARN Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000000061460 563212191 /nfs/dbraw/zinc/21/21/91/563212191.db2.gz ZEUWOEOSPTXNOS-GFCCVEGCSA-N 0 0 324.449 4.189 50 0 DIAARN O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000000060264 563212258 /nfs/dbraw/zinc/21/22/58/563212258.db2.gz WOJRHCOBUKJCAJ-VAWYXSNFSA-N 0 0 306.390 4.462 50 0 in-vivo DIAARN Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1C ZINC000000064478 563212388 /nfs/dbraw/zinc/21/23/88/563212388.db2.gz FIOCPTCXWOIKCZ-UHFFFAOYSA-N 0 0 305.171 4.285 50 0 DIAARN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc21 ZINC000000062335 563212483 /nfs/dbraw/zinc/21/24/83/563212483.db2.gz HIXMUFMKWGCZIL-UHFFFAOYSA-N 0 0 309.365 4.130 50 0 DIAARN Cc1nc(C(F)(F)F)ccc1C(=O)Sc1ccc(F)cc1 ZINC000000066400 563212769 /nfs/dbraw/zinc/21/27/69/563212769.db2.gz AHSNBTVWIHTZJG-UHFFFAOYSA-N 0 0 315.291 4.480 50 0 DIAARN S=C(Nc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000000067409 563212776 /nfs/dbraw/zinc/21/27/76/563212776.db2.gz MEOSRHZTVFTCAK-UHFFFAOYSA-N 0 0 302.830 4.095 50 0 DIAARN CCOC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000000077628 563214016 /nfs/dbraw/zinc/21/40/16/563214016.db2.gz SCZAGGBIOXLKPW-UHFFFAOYSA-N 0 0 301.289 4.006 50 0 DIAARN CCN(C(=O)c1cnccc1C(F)(F)F)c1cccc(C)c1C ZINC000000077766 563214028 /nfs/dbraw/zinc/21/40/28/563214028.db2.gz YUYDNGGGHUGBTQ-UHFFFAOYSA-N 0 0 322.330 4.384 50 0 DIAARN CCOc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000000083652 563214391 /nfs/dbraw/zinc/21/43/91/563214391.db2.gz XAMQPDRMIDFVKM-UHFFFAOYSA-N 0 0 323.373 4.468 50 0 DIAARN O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(F)c1 ZINC000000083050 563214511 /nfs/dbraw/zinc/21/45/11/563214511.db2.gz NBISDUQAJBBDMR-UHFFFAOYSA-N 0 0 310.353 4.106 50 0 DIAARN Clc1ccc(OCc2nc(-c3cccnc3)no2)c(Cl)c1 ZINC000000080681 563214614 /nfs/dbraw/zinc/21/46/14/563214614.db2.gz FQMJGXCWDVNGKF-UHFFFAOYSA-N 0 0 322.151 4.017 50 0 DIAARN C[C@H]1CCc2c(sc3ncnc(N4CCCCCC4)c23)C1 ZINC000000087336 563215176 /nfs/dbraw/zinc/21/51/76/563215176.db2.gz LBIYZYHEFGVVSX-LBPRGKRZSA-N 0 0 301.459 4.197 50 0 DIAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@]2(C)CC)cc1 ZINC000000087090 563215266 /nfs/dbraw/zinc/21/52/66/563215266.db2.gz QSHHLIIVGYYBRG-IBGZPJMESA-N 0 0 310.397 4.284 50 0 DIAARN Cc1cc(C)n(-c2ncnc3sc(-c4ccccc4)cc32)n1 ZINC000000090098 563215380 /nfs/dbraw/zinc/21/53/80/563215380.db2.gz LICDMGUSQHMJBI-UHFFFAOYSA-N 0 0 306.394 4.161 50 0 DIAARN CC(C)c1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000000094091 563215920 /nfs/dbraw/zinc/21/59/20/563215920.db2.gz OHURPABPLZBWKO-UHFFFAOYSA-N 0 0 303.789 4.481 50 0 DIAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000000097654 563216328 /nfs/dbraw/zinc/21/63/28/563216328.db2.gz GHCJQLASOULTSV-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN Nc1c2cc(Br)ccc2oc1C(=O)c1ccccc1 ZINC000000097827 563216401 /nfs/dbraw/zinc/21/64/01/563216401.db2.gz SBFAYONAJFSEPC-UHFFFAOYSA-N 0 0 316.154 4.009 50 0 in-vivo DIAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(F)cc1 ZINC000000094924 563216435 /nfs/dbraw/zinc/21/64/35/563216435.db2.gz AJCFOKHYQSJIIC-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(O)cc1 ZINC000000097623 563216473 /nfs/dbraw/zinc/21/64/73/563216473.db2.gz UKQAOZFYOOAEDX-UHFFFAOYSA-N 0 0 322.364 4.169 50 0 DIAARN c1nc2sc3c(c2c2nnc(C4CCCCC4)n12)CCCC3 ZINC000000098620 563216968 /nfs/dbraw/zinc/21/69/68/563216968.db2.gz OMNRHXJOBBKGEL-UHFFFAOYSA-N 0 0 312.442 4.266 50 0 DIAARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000102437 563217371 /nfs/dbraw/zinc/21/73/71/563217371.db2.gz RXILIQBCXSGEDQ-GFCCVEGCSA-N 0 0 307.390 4.140 50 0 DIAARN O=C1CS[C@H](c2cc3ccccc3o2)N1c1ccc(F)cc1 ZINC000000102563 563217467 /nfs/dbraw/zinc/21/74/67/563217467.db2.gz CRTOVTIUNCRWLE-QGZVFWFLSA-N 0 0 313.353 4.351 50 0 DIAARN CCOc1ccc2c(c1)nc1n2C(=O)C[C@H](c2ccccc2)S1 ZINC000000103004 563217585 /nfs/dbraw/zinc/21/75/85/563217585.db2.gz PGFYTJLJFLMTBB-MRXNPFEDSA-N 0 0 324.405 4.312 50 0 DIAARN O=C(C1CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000000106717 563217867 /nfs/dbraw/zinc/21/78/67/563217867.db2.gz RJGSCKOJCQHSQB-INIZCTEOSA-N 0 0 317.841 4.286 50 0 DIAARN C[C@H]1CN(c2nc3c(cc(Cl)cc3Cl)s2)C[C@H](C)O1 ZINC000000105872 563217914 /nfs/dbraw/zinc/21/79/14/563217914.db2.gz FFVLNQJCQNJHDD-YUMQZZPRSA-N 0 0 317.241 4.217 50 0 DIAARN CCC1(CC)C=CN(c2cccc(C(F)(F)F)c2)C(=S)N1 ZINC000000110199 563218462 /nfs/dbraw/zinc/21/84/62/563218462.db2.gz RYTUCRQQFWQDIR-UHFFFAOYSA-N 0 0 314.376 4.472 50 0 DIAARN Cc1noc(C)c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000000112175 563218758 /nfs/dbraw/zinc/21/87/58/563218758.db2.gz INHRXOGVWFTTMA-UHFFFAOYSA-N 0 0 309.247 4.027 50 0 DIAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000000110721 563218892 /nfs/dbraw/zinc/21/88/92/563218892.db2.gz ZASCHQPPNGSAKO-UHFFFAOYSA-N 0 0 321.420 4.039 50 0 DIAARN CCSc1nc2ccccc2c(=O)n1CC1CCCCC1 ZINC000000114962 563219395 /nfs/dbraw/zinc/21/93/95/563219395.db2.gz NYLIDQRTUUSQGY-UHFFFAOYSA-N 0 0 302.443 4.089 50 0 DIAARN Cc1ccc(-c2csc(CS(=O)(=O)C(C)(C)C)n2)c(C)c1 ZINC000000113926 563219411 /nfs/dbraw/zinc/21/94/11/563219411.db2.gz KXWCYDZLWBQDFB-UHFFFAOYSA-N 0 0 323.483 4.140 50 0 DIAARN c1csc(CSc2nnc3sc4ccccc4n23)c1 ZINC000000117598 563219753 /nfs/dbraw/zinc/21/97/53/563219753.db2.gz MCRJAEYERQMVPU-UHFFFAOYSA-N 0 0 303.437 4.298 50 0 DIAARN Cc1nc(-c2nnc(SCc3ccc(Cl)cc3)o2)cs1 ZINC000000121016 563219800 /nfs/dbraw/zinc/21/98/00/563219800.db2.gz UJYMXPJFYRYYBB-UHFFFAOYSA-N 0 0 323.830 4.447 50 0 DIAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000119734 563219873 /nfs/dbraw/zinc/21/98/73/563219873.db2.gz YGBQERBDIRALEW-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C ZINC000000117987 563219917 /nfs/dbraw/zinc/21/99/17/563219917.db2.gz DEVCZLMVNZTDTN-FUHWJXTLSA-N 0 0 317.429 4.131 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000126089 563220971 /nfs/dbraw/zinc/22/09/71/563220971.db2.gz JDJDATZEGHGLLI-UHFFFAOYSA-N 0 0 310.397 4.195 50 0 DIAARN Cc1noc(C)c1C(=O)Sc1cccc(C(F)(F)F)c1 ZINC000000126742 563221197 /nfs/dbraw/zinc/22/11/97/563221197.db2.gz PJPKLBMSZBCHAU-UHFFFAOYSA-N 0 0 301.289 4.243 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000000125572 563221238 /nfs/dbraw/zinc/22/12/38/563221238.db2.gz UMSWBUHOLKLCQC-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCc1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000000130228 563221774 /nfs/dbraw/zinc/22/17/74/563221774.db2.gz FBLVXUUBJNBRSW-UHFFFAOYSA-N 0 0 300.361 4.101 50 0 DIAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000000132008 563221795 /nfs/dbraw/zinc/22/17/95/563221795.db2.gz HZMSWKWMRHWEMM-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN Cc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000133400 563221999 /nfs/dbraw/zinc/22/19/99/563221999.db2.gz FJXDTDJMXJBRFA-UHFFFAOYSA-N 0 0 308.402 4.495 50 0 DIAARN 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Cc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000401488 563251211 /nfs/dbraw/zinc/25/12/11/563251211.db2.gz IEPHCKPMVHIGGA-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CCOc1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000000404133 563251436 /nfs/dbraw/zinc/25/14/36/563251436.db2.gz CTFATYIGPWOEMM-UHFFFAOYSA-N 0 0 305.171 4.079 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000406788 563251637 /nfs/dbraw/zinc/25/16/37/563251637.db2.gz ODWSPKDUUDFACC-SJORKVTESA-N 0 0 324.815 4.386 50 0 DIAARN O=c1oc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCCC3 ZINC000000406340 563251766 /nfs/dbraw/zinc/25/17/66/563251766.db2.gz YEZJSBXEXXISAY-UHFFFAOYSA-N 0 0 317.797 4.449 50 0 DIAARN O=C(Nc1ccccc1C(=O)c1ccccc1)C1CCCCC1 ZINC000000409087 563252086 /nfs/dbraw/zinc/25/20/86/563252086.db2.gz QVCVOAKWJAASJW-UHFFFAOYSA-N 0 0 307.393 4.436 50 0 DIAARN O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000409452 563252200 /nfs/dbraw/zinc/25/22/00/563252200.db2.gz YACIYJIPBQGVRP-CABCVRRESA-N 0 0 316.198 4.191 50 0 DIAARN Cc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1C ZINC000000426384 563252862 /nfs/dbraw/zinc/25/28/62/563252862.db2.gz KZBCGTHOUXUEMZ-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN CCc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 ZINC000000433144 563253435 /nfs/dbraw/zinc/25/34/35/563253435.db2.gz LTUWBPQFCSDMLS-UHFFFAOYSA-N 0 0 316.404 4.356 50 0 DIAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000000444031 563254860 /nfs/dbraw/zinc/25/48/60/563254860.db2.gz CUZMRJROZQLJML-ZDUSSCGKSA-N 0 0 319.857 4.479 50 0 DIAARN O=C(COc1ccccc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000000449464 563256184 /nfs/dbraw/zinc/25/61/84/563256184.db2.gz ZAQSLEGIOZSACY-UHFFFAOYSA-N 0 0 318.376 4.448 50 0 DIAARN C[C@H](O)c1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000000451996 563256700 /nfs/dbraw/zinc/25/67/00/563256700.db2.gz GEPFHJXDSIOHPR-AWEZNQCLSA-N 0 0 302.377 4.291 50 0 DIAARN Cc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000000454539 563257066 /nfs/dbraw/zinc/25/70/66/563257066.db2.gz XIMJJCIWMGISRL-UHFFFAOYSA-N 0 0 319.857 4.447 50 0 DIAARN 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Cc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000000459027 563258410 /nfs/dbraw/zinc/25/84/10/563258410.db2.gz DTENRTYECAINBB-UHFFFAOYSA-N 0 0 307.752 4.113 50 0 DIAARN CC(C)c1ccc(OC[C@@H](C)NC(=O)c2ccc(F)cc2)cc1 ZINC000000459188 563258502 /nfs/dbraw/zinc/25/85/02/563258502.db2.gz WTYJYQWQPBGRGN-CQSZACIVSA-N 0 0 315.388 4.146 50 0 DIAARN CCOc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000000473875 563261086 /nfs/dbraw/zinc/26/10/86/563261086.db2.gz VCEQVCYPYOAYPM-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN Cc1sc(-c2nc3ccccc3n2C)cc1Br ZINC000000472920 563261172 /nfs/dbraw/zinc/26/11/72/563261172.db2.gz CDTMUUOOFYTCJY-UHFFFAOYSA-N 0 0 307.216 4.373 50 0 DIAARN COc1ccc(CNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000000475644 563261850 /nfs/dbraw/zinc/26/18/50/563261850.db2.gz OEANTZMZCBAPMG-MDWZMJQESA-N 0 0 309.409 4.148 50 0 DIAARN COC(=S)SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000478218 563262250 /nfs/dbraw/zinc/26/22/50/563262250.db2.gz DVTYAXYCIFXCEA-UHFFFAOYSA-N 0 0 302.420 4.201 50 0 DIAARN Cc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000000482168 563262830 /nfs/dbraw/zinc/26/28/30/563262830.db2.gz PGIFIWYBJSFWRM-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000000505714 563263479 /nfs/dbraw/zinc/26/34/79/563263479.db2.gz PVOLAJUJJRNYBK-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN COc1cc(NC(=O)c2cc(C)ccc2C)c(OC)cc1Cl ZINC000000514737 563264005 /nfs/dbraw/zinc/26/40/05/563264005.db2.gz MVGBBGONSDUMPU-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN O=C(Nc1ccccc1Br)c1cccc(Cl)c1 ZINC000000514171 563264182 /nfs/dbraw/zinc/26/41/82/563264182.db2.gz XEWXXYNQCXRDTP-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN Cc1cccc(-n2c(SC(C)C)nc3ccccc3c2=O)c1 ZINC000000523027 563264211 /nfs/dbraw/zinc/26/42/11/563264211.db2.gz MEELJLJLCMUIPB-UHFFFAOYSA-N 0 0 310.422 4.195 50 0 DIAARN Cc1ccc([C@H]2CC(=O)c3cnc(NC4CCCC4)nc3C2)cc1 ZINC000000534545 563265554 /nfs/dbraw/zinc/26/55/54/563265554.db2.gz CJYHAKUMNBQDAQ-OAHLLOKOSA-N 0 0 321.424 4.052 50 0 DIAARN CC(C)(C)c1ccc(-c2nnc3sc(-c4ccco4)nn32)cc1 ZINC000000531169 563265603 /nfs/dbraw/zinc/26/56/03/563265603.db2.gz RTUSQVCJDHMCNR-UHFFFAOYSA-N 0 0 324.409 4.410 50 0 DIAARN Cc1ccc(CSc2nnc(-c3cccs3)n2C)cc1 ZINC000000531428 563265649 /nfs/dbraw/zinc/26/56/49/563265649.db2.gz MXFOCXHIGYAOQP-UHFFFAOYSA-N 0 0 301.440 4.144 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000000555031 563265872 /nfs/dbraw/zinc/26/58/72/563265872.db2.gz GUPJWCBNTANDBX-ZDUSSCGKSA-N 0 0 319.857 4.445 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)cc2)c(C)c1 ZINC000000557436 563265874 /nfs/dbraw/zinc/26/58/74/563265874.db2.gz BVYGJSOGOVBXRD-UHFFFAOYSA-N 0 0 312.413 4.102 50 0 DIAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2C)c1 ZINC000000557906 563266645 /nfs/dbraw/zinc/26/66/45/563266645.db2.gz RBXUQJYDINIXJO-UHFFFAOYSA-N 0 0 310.397 4.294 50 0 DIAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CC(C)C ZINC000000566997 563267315 /nfs/dbraw/zinc/26/73/15/563267315.db2.gz ZRCAQHGGJVLUSX-UHFFFAOYSA-N 0 0 309.369 4.183 50 0 DIAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C(C)(C)C ZINC000000566998 563267364 /nfs/dbraw/zinc/26/73/64/563267364.db2.gz KGCBYCOVADXHAV-UHFFFAOYSA-N 0 0 309.369 4.183 50 0 DIAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccccc2)c1C ZINC000000572685 563267632 /nfs/dbraw/zinc/26/76/32/563267632.db2.gz YAMJDPOHAQRADR-UHFFFAOYSA-N 0 0 317.454 4.402 50 0 DIAARN CC(C(=O)Nc1nccs1)(c1ccccc1)c1ccccc1 ZINC000000574279 563267754 /nfs/dbraw/zinc/26/77/54/563267754.db2.gz GIGDQZDSCWRAEN-UHFFFAOYSA-N 0 0 308.406 4.088 50 0 DIAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000000579712 563268005 /nfs/dbraw/zinc/26/80/05/563268005.db2.gz FQEOKDNKGGZGSB-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000000572744 563268003 /nfs/dbraw/zinc/26/80/03/563268003.db2.gz DLSHXTXELUTVKO-UHFFFAOYSA-N 0 0 317.454 4.135 50 0 DIAARN CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000000609915 563268699 /nfs/dbraw/zinc/26/86/99/563268699.db2.gz XRYNNBNMRLIYKU-LLVKDONJSA-N 0 0 320.339 4.246 50 0 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Cc1ccnc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000000970799 563273237 /nfs/dbraw/zinc/27/32/37/563273237.db2.gz QJHCMINUUTTYTD-UHFFFAOYSA-N 0 0 304.349 4.435 50 0 DIAARN Cc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2)C1=O ZINC000001004916 563274662 /nfs/dbraw/zinc/27/46/62/563274662.db2.gz HQWYUZUGBQAVDU-LFIBNONCSA-N 0 0 324.405 4.101 50 0 DIAARN Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)on1 ZINC000009687951 563274671 /nfs/dbraw/zinc/27/46/71/563274671.db2.gz OZOACAYTCWRDCU-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN CCc1nc2sc(C(=O)c3ccc(F)cc3)c(N)c2cc1C ZINC000001032099 563275243 /nfs/dbraw/zinc/27/52/43/563275243.db2.gz VZSMIXBTKAQGOW-UHFFFAOYSA-N 0 0 314.385 4.119 50 0 DIAARN C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccncc1 ZINC000001054511 563275674 /nfs/dbraw/zinc/27/56/74/563275674.db2.gz VNUXJOIGFDLSTB-SNVBAGLBSA-N 0 0 316.813 4.441 50 0 DIAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(CC)s2)cc1 ZINC000001052007 563275726 /nfs/dbraw/zinc/27/57/26/563275726.db2.gz SAIFINXGFYFQBZ-LBPRGKRZSA-N 0 0 303.427 4.200 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(Br)s1 ZINC000001054958 563276008 /nfs/dbraw/zinc/27/60/08/563276008.db2.gz DHJVUYGFVUBFEN-UHFFFAOYSA-N 0 0 322.227 4.252 50 0 DIAARN O=C(c1ccc(Cl)s1)N1CCC(Cc2ccccc2)CC1 ZINC000001055845 563276387 /nfs/dbraw/zinc/27/63/87/563276387.db2.gz TVTQJTBJGMDTOA-UHFFFAOYSA-N 0 0 319.857 4.496 50 0 DIAARN Cc1c2ccccc2oc1C(=O)NCCc1ccc(Cl)cc1 ZINC000001055591 563276630 /nfs/dbraw/zinc/27/66/30/563276630.db2.gz PJYWCMLSOINPOJ-UHFFFAOYSA-N 0 0 313.784 4.367 50 0 DIAARN CC(C)Oc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000001075462 563277060 /nfs/dbraw/zinc/27/70/60/563277060.db2.gz AIWQRRVYHNHKJF-MRXNPFEDSA-N 0 0 311.425 4.225 50 0 DIAARN O=C(NCc1ccco1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000001122727 563277756 /nfs/dbraw/zinc/27/77/56/563277756.db2.gz OCQSIQUTIYFOER-UHFFFAOYSA-N 0 0 303.789 4.061 50 0 DIAARN Clc1ccccc1CSc1ncc(-c2ccccc2)nn1 ZINC000001117056 563277897 /nfs/dbraw/zinc/27/78/97/563277897.db2.gz ZWPBRSKAFXERRU-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN CC[C@H](NC(=O)c1ccccc1Br)c1ccccc1 ZINC000001124411 563277955 /nfs/dbraw/zinc/27/79/55/563277955.db2.gz DROHQLCMPSMWJO-HNNXBMFYSA-N 0 0 318.214 4.330 50 0 DIAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc(F)cc1 ZINC000001384061 563281436 /nfs/dbraw/zinc/28/14/36/563281436.db2.gz SWQMAGHRNVLUOP-UHFFFAOYSA-N 0 0 322.261 4.077 50 0 DIAARN CCOC(=O)N[C@@H](c1ccccc1F)[C@@H]1CCCCCCC1=O ZINC000001394475 563282075 /nfs/dbraw/zinc/28/20/75/563282075.db2.gz VWADWCHWRONRRC-PBHICJAKSA-N 0 0 321.392 4.152 50 0 DIAARN COC(=O)[C@@H](CC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000001403206 563282695 /nfs/dbraw/zinc/28/26/95/563282695.db2.gz MUROHPHCHBVDPI-HNNXBMFYSA-N 0 0 320.747 4.009 50 0 DIAARN CCOC(=O)c1sc(=S)n(-c2ccccc2)c1SC ZINC000001401005 563282738 /nfs/dbraw/zinc/28/27/38/563282738.db2.gz GEZZIEZEFZBWDO-UHFFFAOYSA-N 0 0 311.453 4.167 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000001402894 563282872 /nfs/dbraw/zinc/28/28/72/563282872.db2.gz LPRGFDZSQYALDB-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN Cc1cc(-c2noc(COc3ccccc3)n2)c2ccccc2n1 ZINC000001423716 563283369 /nfs/dbraw/zinc/28/33/69/563283369.db2.gz KIYGGGSFXIEATK-UHFFFAOYSA-N 0 0 317.348 4.172 50 0 DIAARN Cc1cc(C)c(NC(=O)c2cc(F)c(F)cc2Cl)c(C)n1 ZINC000001425259 563283463 /nfs/dbraw/zinc/28/34/63/563283463.db2.gz IVBFSUQZJRISJV-UHFFFAOYSA-N 0 0 310.731 4.191 50 0 DIAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cccs1 ZINC000001422659 563283512 /nfs/dbraw/zinc/28/35/12/563283512.db2.gz HYSVMVTWWRPBEP-UHFFFAOYSA-N 0 0 310.422 4.038 50 0 DIAARN Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C ZINC000001456462 563284107 /nfs/dbraw/zinc/28/41/07/563284107.db2.gz WCQBLWHXLCSILD-UHFFFAOYSA-N 0 0 307.437 4.398 50 0 DIAARN O[C@@H](Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000001494979 563284925 /nfs/dbraw/zinc/28/49/25/563284925.db2.gz MVUVWGGFMKZEHX-ZDUSSCGKSA-N 0 0 307.271 4.123 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)OCCOc1ccccc1 ZINC000001741550 563294515 /nfs/dbraw/zinc/29/45/15/563294515.db2.gz TUWLCCXIMIAEKJ-UHFFFAOYSA-N 0 0 305.761 4.276 50 0 DIAARN C[C@H](O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001753008 563295305 /nfs/dbraw/zinc/29/53/05/563295305.db2.gz LGVJAKQYPJSMHM-JTQLQIEISA-N 0 0 324.302 4.403 50 0 DIAARN COc1ccc(OCCCC(=O)Nc2c(C)cccc2C)cc1 ZINC000001778175 563295661 /nfs/dbraw/zinc/29/56/61/563295661.db2.gz QXNGTZBNDNERPT-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN CCCOc1ccc(/C=C/C(=O)Nc2cccc(OC)c2)cc1 ZINC000001777927 563295799 /nfs/dbraw/zinc/29/57/99/563295799.db2.gz JTDOFVRTXOMGMA-FMIVXFBMSA-N 0 0 311.381 4.136 50 0 DIAARN C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000001773611 563295856 /nfs/dbraw/zinc/29/58/56/563295856.db2.gz JDEZFNQOUZSGDO-CQSZACIVSA-N 0 0 317.816 4.376 50 0 DIAARN Cc1ccc(C)c(OCCCC(=O)Nc2ccccc2F)c1 ZINC000001779902 563295924 /nfs/dbraw/zinc/29/59/24/563295924.db2.gz YXTRUNSPZVMLAU-UHFFFAOYSA-N 0 0 301.361 4.240 50 0 DIAARN CC(C)Oc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000001775687 563295937 /nfs/dbraw/zinc/29/59/37/563295937.db2.gz ORDDEHBLIMTULP-UHFFFAOYSA-N 0 0 313.397 4.272 50 0 DIAARN CCCCOC(=O)c1cccc(NC(=O)Oc2ccccc2)c1 ZINC000001808017 563296079 /nfs/dbraw/zinc/29/60/79/563296079.db2.gz PRLOXVIFQQIVPP-UHFFFAOYSA-N 0 0 313.353 4.254 50 0 biogenic DIAARN CCC1(C/C=C2\CCCc3cc(OC)ccc32)C(=O)CCC1=O ZINC000001845623 563296275 /nfs/dbraw/zinc/29/62/75/563296275.db2.gz OMXFYKCGCDGYNC-SDNWHVSQSA-N 0 0 312.409 4.133 50 0 DIAARN CCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001844615 563296345 /nfs/dbraw/zinc/29/63/45/563296345.db2.gz SVAZFGIXXDRDQZ-UHFFFAOYSA-N 0 0 314.351 4.434 50 0 DIAARN CCCC[C@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000002069845 563299239 /nfs/dbraw/zinc/29/92/39/563299239.db2.gz AVFNCBBYKDMYGP-NSHDSACASA-N 0 0 311.809 4.282 50 0 DIAARN O=C(NCCc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000002167816 563300844 /nfs/dbraw/zinc/30/08/44/563300844.db2.gz DHLFAEAZAXCMFI-UHFFFAOYSA-N 0 0 308.303 4.070 50 0 DIAARN C[C@@H]1C[C@@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 ZINC000071890745 563300894 /nfs/dbraw/zinc/30/08/94/563300894.db2.gz QOLXEOIKOMEGHY-SKDRFNHKSA-N 0 0 310.357 4.054 50 0 DIAARN CCCCc1cc(=O)oc2cc(O[C@H]3CCCCC3=O)ccc12 ZINC000002242075 563302071 /nfs/dbraw/zinc/30/20/71/563302071.db2.gz ZKTMHOOXYNEGPG-KRWDZBQOSA-N 0 0 314.381 4.026 50 0 DIAARN FC(F)(F)/C(Br)=C(\Br)C(F)(F)F ZINC000002386516 563302969 /nfs/dbraw/zinc/30/29/69/563302969.db2.gz AXAMFVOTWJBOCA-OWOJBTEDSA-N 0 0 321.840 4.112 50 0 DIAARN CC(C)c1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000002469475 563303725 /nfs/dbraw/zinc/30/37/25/563303725.db2.gz QSPTXESVBAKNMH-CQSZACIVSA-N 0 0 309.365 4.013 50 0 DIAARN CCCc1cc(=O)oc2cc(OCc3ccccc3OC)ccc12 ZINC000002430692 563303877 /nfs/dbraw/zinc/30/38/77/563303877.db2.gz LVRCYMCFGRYJPW-UHFFFAOYSA-N 0 0 324.376 4.333 50 0 DIAARN CC1(C)COC(CCCOc2ccc(Cl)cc2Cl)=N1 ZINC000002498162 563304387 /nfs/dbraw/zinc/30/43/87/563304387.db2.gz LDUZFZFIOBYSAQ-UHFFFAOYSA-N 0 0 302.201 4.360 50 0 DIAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)C(F)(F)F ZINC000002482750 563304507 /nfs/dbraw/zinc/30/45/07/563304507.db2.gz FLIPGOAKSVPLIH-UHFFFAOYSA-N 0 0 303.283 4.435 50 0 DIAARN O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CC=CC1 ZINC000002515909 563305936 /nfs/dbraw/zinc/30/59/36/563305936.db2.gz VJWTUTCHLPDQKQ-UHFFFAOYSA-N 0 0 315.775 4.082 50 0 DIAARN O=C(c1cccc(CN2CCC2)c1)c1cc(Cl)ccc1Cl ZINC000002515141 563306142 /nfs/dbraw/zinc/30/61/42/563306142.db2.gz YWHFYBAXEFZUAK-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN O=C(CCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000002516712 563306824 /nfs/dbraw/zinc/30/68/24/563306824.db2.gz AZAZHHBUIXJGDC-UHFFFAOYSA-N 0 0 307.162 4.404 50 0 DIAARN COc1c(C)cc(C(=O)CCCC2OCC(C)(C)CO2)cc1C ZINC000002518075 563307243 /nfs/dbraw/zinc/30/72/43/563307243.db2.gz WMUOJSBLTNDJGL-UHFFFAOYSA-N 0 0 320.429 4.064 50 0 DIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nccs1 ZINC000002550106 563308231 /nfs/dbraw/zinc/30/82/31/563308231.db2.gz FXDQRUUNUJEZOJ-CYBMUJFWSA-N 0 0 324.405 4.216 50 0 DIAARN CCCCc1ccc(NC(=O)CSc2ccccc2N)cc1 ZINC000002544561 563308288 /nfs/dbraw/zinc/30/82/88/563308288.db2.gz QHEWLXQQMSJBCB-UHFFFAOYSA-N 0 0 314.454 4.342 50 0 DIAARN O=c1oc2cc(OCc3ccc(F)cc3)ccc2c2c1CCCC2 ZINC000002551149 563308505 /nfs/dbraw/zinc/30/85/05/563308505.db2.gz BFDGSZUNEVWKIZ-UHFFFAOYSA-N 0 0 324.351 4.390 50 0 DIAARN Cc1scc(C2N=NC(=S)N2C)c1-c1ccc(C)cc1 ZINC000002536766 563308560 /nfs/dbraw/zinc/30/85/60/563308560.db2.gz OLTPEUNOBTWIAN-UHFFFAOYSA-N 0 0 301.440 4.116 50 0 DIAARN CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 ZINC000002558438 563309095 /nfs/dbraw/zinc/30/90/95/563309095.db2.gz AYTKNGUGMPXJMR-NSHDSACASA-N 0 0 300.427 4.098 50 0 DIAARN CCOC(=O)CCCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002580331 563309816 /nfs/dbraw/zinc/30/98/16/563309816.db2.gz DLPUXFZXLXYDEF-UHFFFAOYSA-N 0 0 316.319 4.402 50 0 DIAARN O=Cc1c(OCc2cnc(Cl)s2)ccc2ccccc21 ZINC000002578142 563309897 /nfs/dbraw/zinc/30/98/97/563309897.db2.gz ADRQPNUOAAXUPG-UHFFFAOYSA-N 0 0 303.770 4.341 50 0 DIAARN Nc1cc(C(F)(F)F)c(C(F)(F)F)cc1Br ZINC000002568792 563309914 /nfs/dbraw/zinc/30/99/14/563309914.db2.gz GDBFBFPCVDCVRM-UHFFFAOYSA-N 0 0 308.019 4.069 50 0 DIAARN Cc1cccc(COc2ccc(Br)cc2C=O)c1 ZINC000002597459 563310169 /nfs/dbraw/zinc/31/01/69/563310169.db2.gz ADXSSKDXBLXYMK-UHFFFAOYSA-N 0 0 305.171 4.149 50 0 DIAARN C[C@@H](c1ccccc1)n1c(C(=O)NC2CC2)cc2sccc21 ZINC000034680179 563312308 /nfs/dbraw/zinc/31/23/08/563312308.db2.gz RKCJJMZUJGMLIO-LBPRGKRZSA-N 0 0 310.422 4.204 50 0 DIAARN CC[C@@H](C)NC(=O)c1ccc(COc2ccccc2Cl)cc1 ZINC000002754475 563312572 /nfs/dbraw/zinc/31/25/72/563312572.db2.gz VNRDIADZIQHDTQ-CYBMUJFWSA-N 0 0 317.816 4.447 50 0 DIAARN O=C(/C=C/c1ccc(Cl)cc1)NCCSc1ccccc1 ZINC000002812576 563313668 /nfs/dbraw/zinc/31/36/68/563313668.db2.gz PUDSSWYITANFLN-DHZHZOJOSA-N 0 0 317.841 4.262 50 0 DIAARN CCSc1ccccc1C(=O)NCc1ccc(Cl)cc1 ZINC000002857535 563314856 /nfs/dbraw/zinc/31/48/56/563314856.db2.gz CMJOETHQDXAANM-UHFFFAOYSA-N 0 0 305.830 4.382 50 0 DIAARN CCSc1ccccc1C(=O)n1cnc2cc(C)c(C)cc21 ZINC000002855974 563314867 /nfs/dbraw/zinc/31/48/67/563314867.db2.gz ARSZXALOMLCPAP-UHFFFAOYSA-N 0 0 310.422 4.454 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2C)cc1 ZINC000002863290 563315503 /nfs/dbraw/zinc/31/55/03/563315503.db2.gz KTNFCAWGXZDFEC-UHFFFAOYSA-N 0 0 313.397 4.435 50 0 DIAARN Cc1ccc(C(=O)CCNc2cccc(Br)c2)o1 ZINC000002870343 563315626 /nfs/dbraw/zinc/31/56/26/563315626.db2.gz ZROZAJTYIPAJPS-UHFFFAOYSA-N 0 0 308.175 4.035 50 0 DIAARN COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000002879527 563316064 /nfs/dbraw/zinc/31/60/64/563316064.db2.gz ZGSWAGIYEILKIJ-UHFFFAOYSA-N 0 0 311.312 4.347 50 0 DIAARN CCOc1ccccc1NC(=O)Cc1coc2ccc(C)cc12 ZINC000002873255 563316089 /nfs/dbraw/zinc/31/60/89/563316089.db2.gz FVNHDXYYMYFXRI-UHFFFAOYSA-N 0 0 309.365 4.321 50 0 DIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002872758 563316263 /nfs/dbraw/zinc/31/62/63/563316263.db2.gz HJBOIBHMZAMTKV-YMTOWFKASA-N 0 0 316.203 4.077 50 0 DIAARN COC(=O)c1ccc(C)c(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000002875947 563316270 /nfs/dbraw/zinc/31/62/70/563316270.db2.gz PHWMIZUMJPLSFQ-UHFFFAOYSA-N 0 0 318.760 4.079 50 0 DIAARN CCCCOc1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000002881087 563316799 /nfs/dbraw/zinc/31/67/99/563316799.db2.gz PVRVDVIGUCMEKV-UHFFFAOYSA-N 0 0 311.425 4.228 50 0 DIAARN COc1c(Cl)cc(C(=O)Oc2ccccc2F)cc1Cl ZINC000002890391 563316909 /nfs/dbraw/zinc/31/69/09/563316909.db2.gz KTBDNGRCAWGMCI-UHFFFAOYSA-N 0 0 315.127 4.360 50 0 DIAARN COC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)cc21 ZINC000002886277 563317051 /nfs/dbraw/zinc/31/70/51/563317051.db2.gz ZTKFPRBNWLFGGU-UHFFFAOYSA-N 0 0 315.756 4.085 50 0 DIAARN CCc1ccccc1OCCCCOc1cccc(OC)c1 ZINC000002904796 563317351 /nfs/dbraw/zinc/31/73/51/563317351.db2.gz ZIOKHXFWYOWFEZ-UHFFFAOYSA-N 0 0 300.398 4.496 50 0 DIAARN COc1ccc(OCCOc2cc(C)c(Cl)c(C)c2)cc1 ZINC000002983812 563318749 /nfs/dbraw/zinc/31/87/49/563318749.db2.gz QIGJYUXQYREZPA-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN CCOc1ccc(OCCCOc2ccc(CC)cc2)cc1 ZINC000002985766 563319407 /nfs/dbraw/zinc/31/94/07/563319407.db2.gz LCKNWBQJAYFTNO-UHFFFAOYSA-N 0 0 300.398 4.496 50 0 DIAARN COc1cc(C)ccc1OCCCOc1cccc(C)c1C 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/nfs/dbraw/zinc/42/60/24/563426024.db2.gz GSQFUHDLSKUGDH-UHFFFAOYSA-N 0 0 311.278 4.083 50 0 DIAARN COc1cccc(CC(O)(c2ccccc2)c2ccccc2)c1 ZINC000003075572 563426061 /nfs/dbraw/zinc/42/60/61/563426061.db2.gz RIYHWYPNMCTVDX-UHFFFAOYSA-N 0 0 304.389 4.174 50 0 DIAARN CC[C@@H](C)NC(=O)c1c2cc(C)ccc2nnc1-c1ccccc1 ZINC000032953305 563427508 /nfs/dbraw/zinc/42/75/08/563427508.db2.gz GOGUFXJMFFGEMO-CQSZACIVSA-N 0 0 319.408 4.134 50 0 DIAARN Cc1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000027026705 563427537 /nfs/dbraw/zinc/42/75/37/563427537.db2.gz HNITWUACRGURCP-AWEZNQCLSA-N 0 0 301.817 4.458 50 0 DIAARN COc1ccc(SCCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000027026693 563427550 /nfs/dbraw/zinc/42/75/50/563427550.db2.gz JFVIKBJOMKUBMN-CQSZACIVSA-N 0 0 315.438 4.055 50 0 DIAARN C[C@@H]1C[C@@H]1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000027386597 563427862 /nfs/dbraw/zinc/42/78/62/563427862.db2.gz KJYHOOMZMJIDSX-BZNIZROVSA-N 0 0 314.768 4.132 50 0 DIAARN CCOC(=O)[C@H]1Sc2ccccc2N[C@H]1c1ccc(F)cc1 ZINC000027526294 563427868 /nfs/dbraw/zinc/42/78/68/563427868.db2.gz ZYEVIBONAYZRHO-HOTGVXAUSA-N 0 0 317.385 4.016 50 0 DIAARN Cc1ccc(-c2nc(CC(=O)Nc3ccccn3)cs2)c(C)c1 ZINC000027654464 563428820 /nfs/dbraw/zinc/42/88/20/563428820.db2.gz FARFHABAMNOUKG-UHFFFAOYSA-N 0 0 323.421 4.003 50 0 DIAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 ZINC000027662438 563429157 /nfs/dbraw/zinc/42/91/57/563429157.db2.gz HKDGHHNZSYMOHK-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 ZINC000027676360 563429514 /nfs/dbraw/zinc/42/95/14/563429514.db2.gz BYGBPPDDFXTTAS-LBPRGKRZSA-N 0 0 319.351 4.494 50 0 DIAARN Clc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cn1 ZINC000027660722 563429568 /nfs/dbraw/zinc/42/95/68/563429568.db2.gz SYXVAVXJOIYSNC-UHFFFAOYSA-N 0 0 301.802 4.417 50 0 DIAARN CCSc1ncc(Cl)c(C(=O)Sc2ccc(C)cc2)n1 ZINC000027995508 563430940 /nfs/dbraw/zinc/43/09/40/563430940.db2.gz GLNIOOSUISCULV-UHFFFAOYSA-N 0 0 324.858 4.483 50 0 DIAARN COCc1cccc(N[C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000028371740 563431314 /nfs/dbraw/zinc/43/13/14/563431314.db2.gz RTFOXZPCVAJXIA-CYBMUJFWSA-N 0 0 309.369 4.056 50 0 DIAARN CCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(C)c1C ZINC000028744271 563432455 /nfs/dbraw/zinc/43/24/55/563432455.db2.gz YSKOYLQNTJFEJV-HNNXBMFYSA-N 0 0 312.413 4.141 50 0 DIAARN CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000029106590 563433873 /nfs/dbraw/zinc/43/38/73/563433873.db2.gz QZKUVUUHWRICJU-NEPJUHHUSA-N 0 0 302.443 4.342 50 0 DIAARN Oc1ccc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000029530936 563434691 /nfs/dbraw/zinc/43/46/91/563434691.db2.gz XLCNHTWGCBAISX-UHFFFAOYSA-N 0 0 322.330 4.190 50 0 DIAARN CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000029484251 563434828 /nfs/dbraw/zinc/43/48/28/563434828.db2.gz QIRKISFXVLEOHO-UHFFFAOYSA-N 0 0 306.365 4.147 50 0 DIAARN FC(F)Oc1ccc(NCc2nc(-c3ccsc3)no2)cc1 ZINC000029397257 563434844 /nfs/dbraw/zinc/43/48/44/563434844.db2.gz CBBOKGYCNMPNNH-UHFFFAOYSA-N 0 0 323.324 4.012 50 0 DIAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000030011872 563436123 /nfs/dbraw/zinc/43/61/23/563436123.db2.gz HXMSEPKWUNDNOX-UHFFFAOYSA-N 0 0 319.408 4.047 50 0 DIAARN O=C(NCc1ccccc1COc1ccccc1)c1cccs1 ZINC000030186809 563436560 /nfs/dbraw/zinc/43/65/60/563436560.db2.gz NJKIFHDLFGBPJX-UHFFFAOYSA-N 0 0 323.417 4.257 50 0 DIAARN CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000030315687 563436872 /nfs/dbraw/zinc/43/68/72/563436872.db2.gz YLXCLJGKOKMKNV-SNVBAGLBSA-N 0 0 321.829 4.437 50 0 DIAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C2CC2)on1 ZINC000030314807 563437105 /nfs/dbraw/zinc/43/71/05/563437105.db2.gz RXBXZEPKTMCTOM-JTQLQIEISA-N 0 0 304.777 4.039 50 0 DIAARN Cc1cccc(CNC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000031107457 563439984 /nfs/dbraw/zinc/43/99/84/563439984.db2.gz ICSOLBOMKZLSOF-UHFFFAOYSA-N 0 0 315.416 4.443 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)c1ccc2nsnc2c1 ZINC000030948390 563440031 /nfs/dbraw/zinc/44/00/31/563440031.db2.gz WRVCFPSIANLGNV-NSHDSACASA-N 0 0 311.410 4.457 50 0 DIAARN O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-n2cccc2)cc1 ZINC000032087929 563441468 /nfs/dbraw/zinc/44/14/68/563441468.db2.gz IHLGWJQPJUSZJG-UHFFFAOYSA-N 0 0 301.349 4.211 50 0 DIAARN CN(C(=O)c1ccc2ncsc2c1)[C@H]1CCCc2ccccc21 ZINC000032481102 563442587 /nfs/dbraw/zinc/44/25/87/563442587.db2.gz RSJDXBOPJAUTKR-KRWDZBQOSA-N 0 0 322.433 4.446 50 0 DIAARN COc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000032540731 563442763 /nfs/dbraw/zinc/44/27/63/563442763.db2.gz SEFLAYJITUVGEU-UHFFFAOYSA-N 0 0 319.286 4.401 50 0 DIAARN O=C(Nc1ccccc1SC(F)F)OCC(F)(F)F ZINC000032628876 563443319 /nfs/dbraw/zinc/44/33/19/563443319.db2.gz QVBWTLPJKCENNA-UHFFFAOYSA-N 0 0 301.236 4.112 50 0 DIAARN CCN(C(=O)c1occc1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000072303441 563443546 /nfs/dbraw/zinc/44/35/46/563443546.db2.gz IQDCOVAVILKKRN-KRWDZBQOSA-N 0 0 317.404 4.457 50 0 DIAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1cccc2ccccc21 ZINC000071280826 563444960 /nfs/dbraw/zinc/44/49/60/563444960.db2.gz OFSQSKBSVXSCKT-OAHLLOKOSA-N 0 0 321.380 4.034 50 0 DIAARN Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000072306823 563445272 /nfs/dbraw/zinc/44/52/72/563445272.db2.gz YFKVYXUCRAGFST-UHFFFAOYSA-N 0 0 322.645 4.047 50 0 DIAARN CCSc1cc(C(=O)NC(CC)(CC)C(F)(F)F)ccn1 ZINC000072306384 563445343 /nfs/dbraw/zinc/44/53/43/563445343.db2.gz CZUSQAKLYDFSHM-UHFFFAOYSA-N 0 0 320.380 4.045 50 0 DIAARN CCCOc1ccc(C(=O)CCNc2ccc(F)cc2)cc1 ZINC000002839717 563446739 /nfs/dbraw/zinc/44/67/39/563446739.db2.gz ZUFHKJRKYZASNV-UHFFFAOYSA-N 0 0 301.361 4.299 50 0 DIAARN c1ccc(-c2ccccc2OCCSc2ncccn2)cc1 ZINC000002845294 563447008 /nfs/dbraw/zinc/44/70/08/563447008.db2.gz YUPKTCWGFZZTKJ-UHFFFAOYSA-N 0 0 308.406 4.315 50 0 DIAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C1CCCCC1 ZINC000000097480 563447095 /nfs/dbraw/zinc/44/70/95/563447095.db2.gz FXTIYHHWMPTXEX-UHFFFAOYSA-N 0 0 321.380 4.409 50 0 DIAARN CCCC(=O)Oc1c2ccccc2oc(=O)c1Cc1ccccc1 ZINC000000315394 563447575 /nfs/dbraw/zinc/44/75/75/563447575.db2.gz RPAYWCZEDHARJA-UHFFFAOYSA-N 0 0 322.360 4.089 50 0 DIAARN Clc1ccc(-c2nc3ccccc3c3nncn32)c(Cl)c1 ZINC000000453060 563447673 /nfs/dbraw/zinc/44/76/73/563447673.db2.gz QPQNTUYVQYUPGP-UHFFFAOYSA-N 0 0 315.163 4.251 50 0 DIAARN CCCSc1ccccc1Nc1nc(Cl)nc(Cl)n1 ZINC000002913724 563449662 /nfs/dbraw/zinc/44/96/62/563449662.db2.gz KXGFVDYTGGQNRQ-UHFFFAOYSA-N 0 0 315.229 4.424 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2Cc2cc(F)ccc2F)on1 ZINC000035511288 563452532 /nfs/dbraw/zinc/45/25/32/563452532.db2.gz UTERYZJGANJIQB-MRXNPFEDSA-N 0 0 306.356 4.413 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2Cc2ccc(F)cc2F)on1 ZINC000035511302 563453207 /nfs/dbraw/zinc/45/32/07/563453207.db2.gz VFAFTZWYYXWQPO-MRXNPFEDSA-N 0 0 306.356 4.413 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2Cc2ccc(F)cc2F)on1 ZINC000035511301 563453239 /nfs/dbraw/zinc/45/32/39/563453239.db2.gz VFAFTZWYYXWQPO-INIZCTEOSA-N 0 0 306.356 4.413 50 0 DIAARN CCOCCCNC(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000035561730 563453373 /nfs/dbraw/zinc/45/33/73/563453373.db2.gz NPXABMHGTCICCS-SFHVURJKSA-N 0 0 318.461 4.048 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)c1 ZINC000036620437 563456106 /nfs/dbraw/zinc/45/61/06/563456106.db2.gz LNCHQZIPQVRSTD-QGZVFWFLSA-N 0 0 314.360 4.203 50 0 DIAARN Cc1ccc([C@@H](NC(=O)CCc2ccco2)c2ccccc2)cc1 ZINC000032983769 563458185 /nfs/dbraw/zinc/45/81/85/563458185.db2.gz HLKRTCSLOAQKGI-NRFANRHFSA-N 0 0 319.404 4.426 50 0 DIAARN COc1ccc(C(=O)Cc2ccccc2F)c(Br)c1 ZINC000037444688 563458306 /nfs/dbraw/zinc/45/83/06/563458306.db2.gz IZQQPOSHHPZVJW-UHFFFAOYSA-N 0 0 323.161 4.022 50 0 DIAARN CCCCN(C(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000032994322 563458811 /nfs/dbraw/zinc/45/88/11/563458811.db2.gz ALJYFBQTNDQZNC-UHFFFAOYSA-N 0 0 321.376 4.240 50 0 DIAARN CSCc1c2ccccc2oc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000032997995 563460337 /nfs/dbraw/zinc/46/03/37/563460337.db2.gz OKZFSHCCJSVVIK-BETUJISGSA-N 0 0 317.454 4.414 50 0 DIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1ccsc1 ZINC000097938582 563460805 /nfs/dbraw/zinc/46/08/05/563460805.db2.gz WTPKZDVEZPORMG-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN CCCCSCCCNC(=O)Nc1ccc(OCC)cc1 ZINC000002933518 563461325 /nfs/dbraw/zinc/46/13/25/563461325.db2.gz BKQIWWPFUZTJRO-UHFFFAOYSA-N 0 0 310.463 4.130 50 0 DIAARN Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccccc1F ZINC000044676313 563462579 /nfs/dbraw/zinc/46/25/79/563462579.db2.gz CGTQFHGLFHXNRT-UHFFFAOYSA-N 0 0 313.254 4.192 50 0 DIAARN OCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000044676205 563462581 /nfs/dbraw/zinc/46/25/81/563462581.db2.gz RHHDFUAKRUVQSO-UHFFFAOYSA-N 0 0 303.667 4.038 50 0 DIAARN FC(F)(F)Oc1c(Br)cccc1Br ZINC000049588075 563468348 /nfs/dbraw/zinc/46/83/48/563468348.db2.gz ZJYGODDLQKBEMB-UHFFFAOYSA-N 0 0 319.902 4.110 50 0 DIAARN CS[C@@H](C)CCN(Cc1nccs1)Cc1ccccc1 ZINC000055167401 563471891 /nfs/dbraw/zinc/47/18/91/563471891.db2.gz RHKZOGUVADTDKG-AWEZNQCLSA-N 0 0 306.500 4.287 50 0 DIAARN CC[C@H](C)Oc1ccccc1-c1nc2c(C(C)C)[nH]n(C)c-2n1 ZINC000055152771 563472122 /nfs/dbraw/zinc/47/21/22/563472122.db2.gz NSWATXGDWLFCLW-LBPRGKRZSA-N 0 0 312.417 4.264 50 0 DIAARN CCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 ZINC000055283756 563473663 /nfs/dbraw/zinc/47/36/63/563473663.db2.gz QSVMTHNVFGTFJT-DHZHZOJOSA-N 0 0 318.420 4.272 50 0 DIAARN CCCCN(Cc1ccc(C)s1)C(=O)c1ccnn1CCC ZINC000055357777 563474235 /nfs/dbraw/zinc/47/42/35/563474235.db2.gz CRBWPLONUNXTHL-UHFFFAOYSA-N 0 0 319.474 4.106 50 0 DIAARN COc1ccc(CN(CC(C)C)C(=O)CCC(F)(F)F)cc1 ZINC000055371299 563474558 /nfs/dbraw/zinc/47/45/58/563474558.db2.gz UZLKXTPDUUDIIN-UHFFFAOYSA-N 0 0 317.351 4.022 50 0 DIAARN CCOc1ccc(CCCC(=O)N[C@H](C)c2ccco2)cc1C ZINC000055413340 563475187 /nfs/dbraw/zinc/47/51/87/563475187.db2.gz XXJGNIRVBQSYHA-OAHLLOKOSA-N 0 0 315.413 4.187 50 0 DIAARN Cc1cccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1C ZINC000055543115 563476473 /nfs/dbraw/zinc/47/64/73/563476473.db2.gz PZUBYCAMEWMBOU-UHFFFAOYSA-N 0 0 314.860 4.279 50 0 DIAARN COc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1 ZINC000096462301 563483854 /nfs/dbraw/zinc/48/38/54/563483854.db2.gz ZUKXMUYYTDEBMW-UHFFFAOYSA-N 0 0 323.314 4.442 50 0 DIAARN C[C@@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 ZINC000096478891 563484503 /nfs/dbraw/zinc/48/45/03/563484503.db2.gz QOBIWRZHAAGKPX-FZMZJTMJSA-N 0 0 314.376 4.010 50 0 DIAARN CCC[C@@H](N[C@H](C)c1ccc(CC)o1)c1nnc2ccccn21 ZINC000096477176 563484551 /nfs/dbraw/zinc/48/45/51/563484551.db2.gz VPMCJLLFMSMYMH-UKRRQHHQSA-N 0 0 312.417 4.077 50 0 DIAARN Cc1ccc2cccc(C(=O)Nc3c(C)cc(C)nc3C)c2n1 ZINC000096492122 563485032 /nfs/dbraw/zinc/48/50/32/563485032.db2.gz UJKFGUWICHDBHG-UHFFFAOYSA-N 0 0 305.381 4.116 50 0 DIAARN CC(C)c1ccc(Nc2nc3ccncc3n(C(C)C)c2=O)cc1 ZINC000097945120 563486817 /nfs/dbraw/zinc/48/68/17/563486817.db2.gz GAZNAHGJHVCAML-UHFFFAOYSA-N 0 0 322.412 4.239 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 ZINC000067621581 563487918 /nfs/dbraw/zinc/48/79/18/563487918.db2.gz UNNFUMWEENPPIA-UHFFFAOYSA-N 0 0 318.380 4.089 50 0 DIAARN Clc1nc2sccn2c1-c1nc2ccc(Cl)cc2[nH]1 ZINC000067676100 563488434 /nfs/dbraw/zinc/48/84/34/563488434.db2.gz FQZHISFFDRGTFF-UHFFFAOYSA-N 0 0 309.181 4.246 50 0 DIAARN O=C(C1CCCC1)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000067742820 563490329 /nfs/dbraw/zinc/49/03/29/563490329.db2.gz JDAOZYMUYIQFKJ-INIZCTEOSA-N 0 0 303.421 4.187 50 0 DIAARN COc1ccc(F)cc1-c1nccn1[C@@H](C)CCCC(C)(C)O ZINC000067743295 563490424 /nfs/dbraw/zinc/49/04/24/563490424.db2.gz SGYZSAVUNZEDKS-ZDUSSCGKSA-N 0 0 320.408 4.200 50 0 DIAARN Cc1ccsc1CN(C(=O)c1cnc2ccccc2c1)C1CC1 ZINC000067867808 563492655 /nfs/dbraw/zinc/49/26/55/563492655.db2.gz KMVPEQSXPVNINA-UHFFFAOYSA-N 0 0 322.433 4.410 50 0 DIAARN Cc1cccc(C)c1Oc1ncccc1CNC(=O)C(C)(C)C ZINC000067947829 563493830 /nfs/dbraw/zinc/49/38/30/563493830.db2.gz KXFFURSMFCHDEN-UHFFFAOYSA-N 0 0 312.413 4.153 50 0 DIAARN CCCC(CCC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000068741360 563495549 /nfs/dbraw/zinc/49/55/49/563495549.db2.gz MQRBJNNSNWVELI-UHFFFAOYSA-N 0 0 301.386 4.256 50 0 DIAARN O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccccc2)no1 ZINC000033155724 563497554 /nfs/dbraw/zinc/49/75/54/563497554.db2.gz VMOSKEFCVALLRK-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN Clc1cccc(-c2cnn3c2nccc3-c2ccncc2)c1 ZINC000071376430 563498871 /nfs/dbraw/zinc/49/88/71/563498871.db2.gz KJZRMBFQVTZXTP-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN c1ccc2cc(-c3ccnc4nc(-c5ccncc5)nn43)ccc2c1 ZINC000071376144 563498966 /nfs/dbraw/zinc/49/89/66/563498966.db2.gz LQJFVTOETVNSBJ-UHFFFAOYSA-N 0 0 323.359 4.007 50 0 DIAARN CCc1nc(-c2nccn2[C@H](C)Cc2ccsc2)c(C)[nH]1 ZINC000071388787 563499248 /nfs/dbraw/zinc/49/92/48/563499248.db2.gz GXMAFZJXXLMBCR-LLVKDONJSA-N 0 0 300.431 4.009 50 0 DIAARN COc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000071416012 563499444 /nfs/dbraw/zinc/49/94/44/563499444.db2.gz GKSTYSPLFFWIEG-GOSISDBHSA-N 0 0 313.422 4.091 50 0 DIAARN COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(Cl)c2c1 ZINC000071775363 563500330 /nfs/dbraw/zinc/50/03/30/563500330.db2.gz OQDPUENTNIYHDH-UHFFFAOYSA-N 0 0 311.768 4.436 50 0 DIAARN C[C@H](Cc1cccs1)NC(=O)Cc1cccc2ccccc21 ZINC000033203531 563500842 /nfs/dbraw/zinc/50/08/42/563500842.db2.gz ZHWDILUTVGVXSR-CQSZACIVSA-N 0 0 309.434 4.191 50 0 DIAARN Cc1cc(C)c2nc(C)cc(C(=O)NCc3ccc(F)cc3)c2c1 ZINC000033252868 563502018 /nfs/dbraw/zinc/50/20/18/563502018.db2.gz LMNXFUIDWISJDI-UHFFFAOYSA-N 0 0 322.383 4.229 50 0 DIAARN Cc1ccc(C(=O)c2sc(Nc3cccc(C)c3)nc2N)cc1 ZINC000033251638 563502070 /nfs/dbraw/zinc/50/20/70/563502070.db2.gz ULCPHEDBSJKUFC-UHFFFAOYSA-N 0 0 323.421 4.317 50 0 DIAARN Cn1cc(-c2ncc[nH]2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072149373 563502468 /nfs/dbraw/zinc/50/24/68/563502468.db2.gz CGSJERMUNHTHJA-UHFFFAOYSA-N 0 0 316.364 4.270 50 0 DIAARN Cc1ccnc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c21 ZINC000135261665 563502513 /nfs/dbraw/zinc/50/25/13/563502513.db2.gz IQZNDOBTVAPVTA-UHFFFAOYSA-N 0 0 317.801 4.093 50 0 DIAARN O=C(Nc1ccccc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257724 563502559 /nfs/dbraw/zinc/50/25/59/563502559.db2.gz WSEBZBQCHNFOON-UHFFFAOYSA-N 0 0 319.364 4.256 50 0 DIAARN Cc1ccc(Cc2nc(-c3ccc(N4CCCC4)cc3)no2)cc1 ZINC000033255336 563502569 /nfs/dbraw/zinc/50/25/69/563502569.db2.gz ZEAQXQRAJIFJCH-UHFFFAOYSA-N 0 0 319.408 4.236 50 0 DIAARN CCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000000035692 563506604 /nfs/dbraw/zinc/50/66/04/563506604.db2.gz DIKIZGVMQUGJMC-UHFFFAOYSA-N 0 0 312.394 4.256 50 0 DIAARN CC1(C)[C@H](C(=O)NC2CCCCCC2)[C@H]1C=C(Cl)Cl ZINC000000036353 563507333 /nfs/dbraw/zinc/50/73/33/563507333.db2.gz JHEXNANCEAYZDG-YPMHNXCESA-N 0 0 304.261 4.417 50 0 DIAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000000036466 563507611 /nfs/dbraw/zinc/50/76/11/563507611.db2.gz ZVTINTBXDBISEZ-INIZCTEOSA-N 0 0 303.814 4.114 50 0 DIAARN Fc1ccc2[nH]c([C@H]3CCCN3Cc3ccsc3)nc2c1 ZINC000077300718 563508079 /nfs/dbraw/zinc/50/80/79/563508079.db2.gz OTATZFDTAXPHTC-OAHLLOKOSA-N 0 0 301.390 4.101 50 0 DIAARN CC[C@H](c1nc(C)c(C)s1)n1ccnc1-c1cccc(O)c1 ZINC000077287972 563508711 /nfs/dbraw/zinc/50/87/11/563508711.db2.gz VRJNKLCPWKWHRO-OAHLLOKOSA-N 0 0 313.426 4.328 50 0 DIAARN c1coc([C@H]2CCCCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353862 563508921 /nfs/dbraw/zinc/50/89/21/563508921.db2.gz TWYBHMJJVNAKJQ-MRXNPFEDSA-N 0 0 323.396 4.447 50 0 DIAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000077344150 563509253 /nfs/dbraw/zinc/50/92/53/563509253.db2.gz QOXAQZDBHLSHHD-GOSISDBHSA-N 0 0 322.452 4.081 50 0 DIAARN COCC1(Cn2ccnc2-c2ccc(-c3ccccn3)cc2)CC1 ZINC000077374900 563509405 /nfs/dbraw/zinc/50/94/05/563509405.db2.gz VHOXHFANAOMZEQ-UHFFFAOYSA-N 0 0 319.408 4.039 50 0 DIAARN Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1O ZINC000077354269 563509497 /nfs/dbraw/zinc/50/94/97/563509497.db2.gz JPPIVDGUXXCDPN-KRWDZBQOSA-N 0 0 313.372 4.207 50 0 DIAARN C[C@H](c1cncs1)N(C)C(=O)CCCc1ccc(Cl)cc1 ZINC000077387228 563509784 /nfs/dbraw/zinc/50/97/84/563509784.db2.gz RQQMUYJFBKXCFE-GFCCVEGCSA-N 0 0 322.861 4.339 50 0 DIAARN Clc1ccc2nc(N3CCC[C@H](c4ncc[nH]4)C3)sc2c1 ZINC000077436266 563509896 /nfs/dbraw/zinc/50/98/96/563509896.db2.gz AEWIMEHWVBNPKY-JTQLQIEISA-N 0 0 318.833 4.057 50 0 DIAARN O=C(c1cccc(O)c1)N1CCCC[C@H]1CCc1cccs1 ZINC000077387763 563510226 /nfs/dbraw/zinc/51/02/26/563510226.db2.gz JFQVDFTWYNOXAO-HNNXBMFYSA-N 0 0 315.438 4.081 50 0 DIAARN C[C@@H](c1cncs1)N(C)C(=O)CCCc1ccc(Cl)cc1 ZINC000077387224 563510254 /nfs/dbraw/zinc/51/02/54/563510254.db2.gz RQQMUYJFBKXCFE-LBPRGKRZSA-N 0 0 322.861 4.339 50 0 DIAARN Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)ccc1O ZINC000077407060 563510302 /nfs/dbraw/zinc/51/03/02/563510302.db2.gz JDKREHVEOGRYBM-KRWDZBQOSA-N 0 0 313.372 4.207 50 0 DIAARN CCc1ccccc1OC1CN(c2ccc3ccccc3n2)C1 ZINC000077516952 563511721 /nfs/dbraw/zinc/51/17/21/563511721.db2.gz XGEGSBKHTNAVOI-UHFFFAOYSA-N 0 0 304.393 4.065 50 0 DIAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(C)C)cc1 ZINC000000045009 563512457 /nfs/dbraw/zinc/51/24/57/563512457.db2.gz PMCPFDDYQLLDOP-AZUAARDMSA-N 0 0 322.408 4.221 50 0 DIAARN Cc1cc(Br)ccc1N[C@@H]1OC(=O)c2ccccc21 ZINC000000091756 563512746 /nfs/dbraw/zinc/51/27/46/563512746.db2.gz OUUWUFVTWRUAMK-CQSZACIVSA-N 0 0 318.170 4.039 50 0 DIAARN O=C1OC(c2ccccc2F)=N/C1=C/c1cccc2ccccc12 ZINC000000055427 563515170 /nfs/dbraw/zinc/51/51/70/563515170.db2.gz IJALZSNWEUNIGS-LDADJPATSA-N 0 0 317.319 4.323 50 0 DIAARN CC(=O)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1 ZINC000000067094 563517531 /nfs/dbraw/zinc/51/75/31/563517531.db2.gz NGCBDBICWDGZAE-UHFFFAOYSA-N 0 0 320.344 4.027 50 0 DIAARN CC[C@H](C)NC(=O)c1csc(Nc2ccc(C)cc2C)n1 ZINC000033280731 563518528 /nfs/dbraw/zinc/51/85/28/563518528.db2.gz ANIXDAGFNKYSHE-LBPRGKRZSA-N 0 0 303.431 4.032 50 0 DIAARN Cc1ccc2sc(CNC(=O)c3ccoc3C3CC3)nc2c1 ZINC000585141247 563519237 /nfs/dbraw/zinc/51/92/37/563519237.db2.gz RUPKDOGMYVXEQZ-UHFFFAOYSA-N 0 0 312.394 4.005 50 0 DIAARN CCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC000095347959 563528882 /nfs/dbraw/zinc/52/88/82/563528882.db2.gz VOSIHJUSTXLXCV-UHFFFAOYSA-N 0 0 300.141 4.134 50 0 DIAARN COc1ccc(C)cc1NC(=O)/C=C\c1cccc(Cl)c1 ZINC000033316287 563520029 /nfs/dbraw/zinc/52/00/29/563520029.db2.gz NDUNQENETWQGGV-CLFYSBASSA-N 0 0 301.773 4.309 50 0 DIAARN O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1 ZINC000085389181 563520738 /nfs/dbraw/zinc/52/07/38/563520738.db2.gz CXBSZUIGHMKXGG-UHFFFAOYSA-N 0 0 302.205 4.233 50 0 DIAARN O=C(/C=C/c1ccccc1)NC[C@H](c1ccco1)c1cccs1 ZINC000585146789 563521127 /nfs/dbraw/zinc/52/11/27/563521127.db2.gz PWBLCQGRHJEDLP-SIFUEBAJSA-N 0 0 323.417 4.303 50 0 DIAARN O=C(NC[C@H](c1ccco1)c1cccs1)Nc1cccs1 ZINC000585146714 563521155 /nfs/dbraw/zinc/52/11/55/563521155.db2.gz GSJZNLDLTXDEBP-LLVKDONJSA-N 0 0 318.423 4.356 50 0 DIAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1 ZINC000000071578 563522769 /nfs/dbraw/zinc/52/27/69/563522769.db2.gz TZRPUJLDSWTXFE-UHFFFAOYSA-N 0 0 322.364 4.164 50 0 DIAARN O[C@@H](c1nccn1Cc1ccccc1)c1cccc2ccccc21 ZINC000000079149 563523264 /nfs/dbraw/zinc/52/32/64/563523264.db2.gz ZVCXGLSQULKIGC-HXUWFJFHSA-N 0 0 314.388 4.166 50 0 DIAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 ZINC000000074883 563523473 /nfs/dbraw/zinc/52/34/73/563523473.db2.gz VRDANHAKTWLUCX-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1 ZINC000098081469 563524250 /nfs/dbraw/zinc/52/42/50/563524250.db2.gz OXMJNNNWMRVDBI-IUJLQVPDSA-N 0 0 310.397 4.121 50 0 DIAARN CCN(C(=O)c1cccc(-c2noc(C)n2)c1)c1ccccc1C ZINC000133361380 563527706 /nfs/dbraw/zinc/52/77/06/563527706.db2.gz KFVWIIALLYBFKX-UHFFFAOYSA-N 0 0 321.380 4.020 50 0 DIAARN Fc1cc(Br)cc(OC(Cl)(Cl)Cl)c1 ZINC000095215432 563528858 /nfs/dbraw/zinc/52/88/58/563528858.db2.gz IODRHQJZDJRSCG-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN Fc1cccc([C@@H](NCc2ccccc2)C(F)(F)F)c1F ZINC000095347734 563529118 /nfs/dbraw/zinc/52/91/18/563529118.db2.gz QBQRCPAYNRTITP-CQSZACIVSA-N 0 0 301.258 4.358 50 0 DIAARN CCCn1nc(C2CC2)nc1[C@H](C)Oc1cccc(Cl)c1 ZINC000095366114 563530146 /nfs/dbraw/zinc/53/01/46/563530146.db2.gz ZTUWKHDKRKJSPU-NSHDSACASA-N 0 0 305.809 4.359 50 0 DIAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1 ZINC000011524002 563530789 /nfs/dbraw/zinc/53/07/89/563530789.db2.gz IHUJXQOMGCLDNP-UHFFFAOYSA-N 0 0 323.421 4.149 50 0 DIAARN Cc1ccc2ncccc2c1-c1ccc(C(=O)NCC(C)C)o1 ZINC000096137928 563534153 /nfs/dbraw/zinc/53/41/53/563534153.db2.gz UVNSOZJNMDDEMW-UHFFFAOYSA-N 0 0 308.381 4.189 50 0 DIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1F ZINC000096171056 563535659 /nfs/dbraw/zinc/53/56/59/563535659.db2.gz SBEXXWNHFSQBFR-UHFFFAOYSA-N 0 0 314.238 4.368 50 0 DIAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000096316011 563536339 /nfs/dbraw/zinc/53/63/39/563536339.db2.gz OLZKROHTNRKMIX-LLVKDONJSA-N 0 0 304.187 4.191 50 0 DIAARN O=C(CNc1ccccc1-c1ccccc1)NCc1cccs1 ZINC000011619058 563537553 /nfs/dbraw/zinc/53/75/53/563537553.db2.gz FEXBSHUPTAVKSJ-UHFFFAOYSA-N 0 0 322.433 4.143 50 0 DIAARN Cc1ccc(N2COc3ccc(Br)cc3C2)c(C)c1 ZINC000000099866 563540126 /nfs/dbraw/zinc/54/01/26/563540126.db2.gz ISLQZJZPESBEEP-UHFFFAOYSA-N 0 0 318.214 4.422 50 0 DIAARN Cc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000098072792 563543827 /nfs/dbraw/zinc/54/38/27/563543827.db2.gz WBGOWCPAEVWQRO-UHFFFAOYSA-N 0 0 308.303 4.336 50 0 DIAARN COC(=O)c1c(C=CNc2ccccc2)onc1-c1ccccc1 ZINC000100329402 563549800 /nfs/dbraw/zinc/54/98/00/563549800.db2.gz UFZQAGSBXXYFQV-OUKQBFOZSA-N 0 0 320.348 4.211 50 0 DIAARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1 ZINC000100522662 563551439 /nfs/dbraw/zinc/55/14/39/563551439.db2.gz DATPGJYGBPRLHB-UHFFFAOYSA-N 0 0 307.378 4.042 50 0 DIAARN C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100586306 563551950 /nfs/dbraw/zinc/55/19/50/563551950.db2.gz YCHLCDGXVTXOQJ-LRDDRELGSA-N 0 0 313.784 4.023 50 0 DIAARN O=C1CCCC(=O)C1C1c2ccccc2Sc2ccccc21 ZINC000100642544 563552374 /nfs/dbraw/zinc/55/23/74/563552374.db2.gz YWONRJSNBITCTI-UHFFFAOYSA-N 0 0 308.402 4.221 50 0 DIAARN CCCOc1ccccc1C[C@H]1c2cc(C)cc(C)c2NC1=O ZINC000101014292 563555611 /nfs/dbraw/zinc/55/56/11/563555611.db2.gz LRCDOMNGFIPSOY-KRWDZBQOSA-N 0 0 309.409 4.371 50 0 DIAARN O=C(c1ccc2ncsc2c1)N(c1ccccn1)C1CCCC1 ZINC000178484333 563557670 /nfs/dbraw/zinc/55/76/70/563557670.db2.gz POVFFQBLPVFDBP-UHFFFAOYSA-N 0 0 323.421 4.281 50 0 DIAARN Cc1cc(C)c2sc(NC(=O)CC3CCCCC3)nc2n1 ZINC000011666318 563558644 /nfs/dbraw/zinc/55/86/44/563558644.db2.gz HWIOHSGRQFKQLT-UHFFFAOYSA-N 0 0 303.431 4.217 50 0 DIAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)NC1CCCC1 ZINC000011666875 563559120 /nfs/dbraw/zinc/55/91/20/563559120.db2.gz IIIIFQQGAGVOKZ-UHFFFAOYSA-N 0 0 301.361 4.077 50 0 DIAARN Cc1ccccc1CC(=O)O[C@H](c1ccccc1)c1ccccn1 ZINC000071834002 563560012 /nfs/dbraw/zinc/56/00/12/563560012.db2.gz AKGJLVSFQRHZDA-OAQYLSRUSA-N 0 0 317.388 4.265 50 0 DIAARN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CC2CCCC2)c(C)c1 ZINC000014228775 563564319 /nfs/dbraw/zinc/56/43/19/563564319.db2.gz GIIKNWLAGGUYAC-HNNXBMFYSA-N 0 0 317.429 4.062 50 0 DIAARN Cc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000000108990 563570203 /nfs/dbraw/zinc/57/02/03/563570203.db2.gz AGTAXLAUUYCZHR-UHFFFAOYSA-N 0 0 311.410 4.056 50 0 DIAARN Fc1ccccc1-c1nc2ccccc2c(N2CCCCC2)n1 ZINC000000109810 563570427 /nfs/dbraw/zinc/57/04/27/563570427.db2.gz CFTJZAHIDNOCFU-UHFFFAOYSA-N 0 0 307.372 4.426 50 0 DIAARN CCN(CC)C(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000000115394 563571011 /nfs/dbraw/zinc/57/10/11/563571011.db2.gz CPKSYSDAOFAEQQ-UHFFFAOYSA-N 0 0 323.392 4.494 50 0 DIAARN CCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1OC ZINC000000138775 563572535 /nfs/dbraw/zinc/57/25/35/563572535.db2.gz NDOFDSGSGXYOKS-UHFFFAOYSA-N 0 0 310.349 4.135 50 0 DIAARN Cc1ccc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)c1 ZINC000055410298 563573847 /nfs/dbraw/zinc/57/38/47/563573847.db2.gz YAWOSTIFRSEJMY-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN Cc1nc(-c2ccc(C(F)(F)F)cn2)nc(Cl)c1Cl ZINC000000166561 563574122 /nfs/dbraw/zinc/57/41/22/563574122.db2.gz XPSRRALZUQMMEL-UHFFFAOYSA-N 0 0 308.090 4.173 50 0 DIAARN CSc1ccc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cc1 ZINC000000178108 563574742 /nfs/dbraw/zinc/57/47/42/563574742.db2.gz FDLBZIQMXBPPGA-BOPFTXTBSA-N 0 0 323.417 4.370 50 0 DIAARN CSc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1 ZINC000000180880 563575539 /nfs/dbraw/zinc/57/55/39/563575539.db2.gz AGMRONQIYLXGOS-UHFFFAOYSA-N 0 0 301.802 4.310 50 0 DIAARN Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000000185966 563575973 /nfs/dbraw/zinc/57/59/73/563575973.db2.gz LRHPFSWHODARMH-UHFFFAOYSA-N 0 0 320.421 4.193 50 0 DIAARN Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1 ZINC000000183428 563576298 /nfs/dbraw/zinc/57/62/98/563576298.db2.gz NJLLMLRHULGKCQ-UHFFFAOYSA-N 0 0 310.378 4.020 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)Nc3cccnc3Cl)cc12 ZINC000000205135 563577982 /nfs/dbraw/zinc/57/79/82/563577982.db2.gz FIXUWJVIGGWBRE-UHFFFAOYSA-N 0 0 313.788 4.096 50 0 DIAARN CC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1C(C)(C)C ZINC000000212762 563578685 /nfs/dbraw/zinc/57/86/85/563578685.db2.gz AQMBCRXVGKTBKO-UHFFFAOYSA-N 0 0 318.442 4.331 50 0 DIAARN COc1ccc(Cn2c3ccccc3nc2C(C)C)cc1OC ZINC000000210357 563578786 /nfs/dbraw/zinc/57/87/86/563578786.db2.gz SGFJGSDNSWBWAC-UHFFFAOYSA-N 0 0 310.397 4.225 50 0 DIAARN CCc1ccc([C@@H]2C[C@H](c3cccc(F)c3)n3ncnc3N2)cc1 ZINC000000222462 563579258 /nfs/dbraw/zinc/57/92/58/563579258.db2.gz SCHRHKMOCCHMEE-ZWKOTPCHSA-N 0 0 322.387 4.126 50 0 DIAARN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222302 563579336 /nfs/dbraw/zinc/57/93/36/563579336.db2.gz VUGCORCDDCWGHS-IAGOWNOFSA-N 0 0 324.815 4.386 50 0 DIAARN CCc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222897 563579352 /nfs/dbraw/zinc/57/93/52/563579352.db2.gz MJXWIVCOGXBIOV-OALUTQOASA-N 0 0 318.424 4.295 50 0 DIAARN CC(C)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1 ZINC000000220503 563579443 /nfs/dbraw/zinc/57/94/43/563579443.db2.gz SLIIHTSTQKYFDX-UHFFFAOYSA-N 0 0 313.445 4.317 50 0 DIAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000000233125 563580352 /nfs/dbraw/zinc/58/03/52/563580352.db2.gz MCDYTRXHCNELKZ-UHFFFAOYSA-N 0 0 302.329 4.137 50 0 DIAARN CC1(C)C(Br)(Br)[C@]1(C)c1ccccc1 ZINC000000236791 563580647 /nfs/dbraw/zinc/58/06/47/563580647.db2.gz JLWDOTKMZOPRQQ-LLVKDONJSA-N 0 0 318.052 4.470 50 0 DIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1C ZINC000000253014 563582245 /nfs/dbraw/zinc/58/22/45/563582245.db2.gz WUBBZESAXVQTTR-UHFFFAOYSA-N 0 0 323.348 4.170 50 0 DIAARN Cc1cc(C)c(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1 ZINC000000252280 563582384 /nfs/dbraw/zinc/58/23/84/563582384.db2.gz AAFKGCALDKMLQO-OAHLLOKOSA-N 0 0 319.408 4.009 50 0 DIAARN COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000255911 563582529 /nfs/dbraw/zinc/58/25/29/563582529.db2.gz IHMXFFJUMJWKHB-ACJLOTCBSA-N 0 0 313.422 4.171 50 0 DIAARN COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000255905 563582543 /nfs/dbraw/zinc/58/25/43/563582543.db2.gz IHMXFFJUMJWKHB-SCLBCKFNSA-N 0 0 313.422 4.171 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000000263489 563582970 /nfs/dbraw/zinc/58/29/70/563582970.db2.gz NBBKDVBHIMTHOJ-CQSZACIVSA-N 0 0 300.789 4.361 50 0 DIAARN CCOc1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000000311708 563587771 /nfs/dbraw/zinc/58/77/71/563587771.db2.gz YPIJEEBSARUKGN-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN CC(C)(C)c1ccc(-c2nnnn2-c2cccc(Cl)c2)cc1 ZINC000000338109 563588665 /nfs/dbraw/zinc/58/86/65/563588665.db2.gz NRPGXAHOYKDICZ-UHFFFAOYSA-N 0 0 312.804 4.280 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1ccc(Br)cc1 ZINC000000342781 563589537 /nfs/dbraw/zinc/58/95/37/563589537.db2.gz RIHGGBCUHJGZJX-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CC(C)(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000340247 563589635 /nfs/dbraw/zinc/58/96/35/563589635.db2.gz OUHDTDLAALXIAL-SFQUDFHCSA-N 0 0 323.367 4.468 50 0 DIAARN CCOC(=O)c1c(C)nsc1Nc1ccc(F)c(Cl)c1 ZINC000000374977 563591271 /nfs/dbraw/zinc/59/12/71/563591271.db2.gz YSLZFUAJWWSVTD-UHFFFAOYSA-N 0 0 314.769 4.164 50 0 DIAARN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000000374610 563591311 /nfs/dbraw/zinc/59/13/11/563591311.db2.gz NQPBYVMAAVASGG-ZDUSSCGKSA-N 0 0 311.381 4.030 50 0 DIAARN COC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000033495420 563592297 /nfs/dbraw/zinc/59/22/97/563592297.db2.gz GETMJTHVISZVKY-UHFFFAOYSA-N 0 0 321.163 4.323 50 0 DIAARN CC(C)CCOc1ccc(Cn2c3ccccc3oc2=O)cc1 ZINC000005014048 563595445 /nfs/dbraw/zinc/59/54/45/563595445.db2.gz ROORSYXBDFXRNU-UHFFFAOYSA-N 0 0 311.381 4.068 50 0 DIAARN Cc1cc(Cl)ncc1NC(=O)c1cc(C)c2ccccc2n1 ZINC000135878230 563595973 /nfs/dbraw/zinc/59/59/73/563595973.db2.gz PEHNLFJYPITOBU-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN C[C@H]1CCc2c(sc3[nH]c(C=Cc4ccccc4)nc(=O)c23)C1 ZINC000033746640 563596077 /nfs/dbraw/zinc/59/60/77/563596077.db2.gz WNRQIDFIHGAIDK-CUZBXDDWSA-N 0 0 322.433 4.280 50 0 DIAARN O=C(Nc1ccc(Cl)c(F)c1)c1ccc(Br)o1 ZINC000044318021 563599520 /nfs/dbraw/zinc/59/95/20/563599520.db2.gz QTKIIIHEVRLJGD-UHFFFAOYSA-N 0 0 318.529 4.087 50 0 DIAARN Cc1ncccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000073357288 563601477 /nfs/dbraw/zinc/60/14/77/563601477.db2.gz HYNIIDAQZPEODP-UHFFFAOYSA-N 0 0 300.361 4.214 50 0 DIAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 ZINC000011914548 563601677 /nfs/dbraw/zinc/60/16/77/563601677.db2.gz RIAGXSVMWCDCGB-UHFFFAOYSA-N 0 0 320.367 4.376 50 0 DIAARN Cc1ccc2cccc(NC(=O)COc3cccc(C)c3C)c2n1 ZINC000011917579 563602413 /nfs/dbraw/zinc/60/24/13/563602413.db2.gz HKFFPIZJVXMJTM-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN CCn1cc([C@H](C)N[C@H](C)c2ccccc2Br)cn1 ZINC000044496382 563603012 /nfs/dbraw/zinc/60/30/12/563603012.db2.gz KYMVBAXMWPUNGB-NWDGAFQWSA-N 0 0 322.250 4.077 50 0 DIAARN Cc1ccc(C([O-])=CC(=O)c2ccc3ccccc3c2O)cc1 ZINC000100811524 563603059 /nfs/dbraw/zinc/60/30/59/563603059.db2.gz OFLYODVLPDSQIN-UHFFFAOYSA-N 0 0 304.345 4.310 50 0 DIAARN CCOC(=O)[C@@H](Nc1ccc(SC)cc1)c1ccccc1 ZINC000000394138 563606159 /nfs/dbraw/zinc/60/61/59/563606159.db2.gz VYZZNSVOPQBPCF-INIZCTEOSA-N 0 0 301.411 4.125 50 0 DIAARN Cc1ccc2nc(Cl)c([C@@H]3Nc4ccccc4C(=O)N3)cc2c1 ZINC000000421619 563611650 /nfs/dbraw/zinc/61/16/50/563611650.db2.gz JRIRKBFTUAIUFY-QGZVFWFLSA-N 0 0 323.783 4.051 50 0 DIAARN Fc1ccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=S)cc1 ZINC000000424446 563611954 /nfs/dbraw/zinc/61/19/54/563611954.db2.gz IWKMJNUCQJXKTQ-UHFFFAOYSA-N 0 0 314.341 4.070 50 0 DIAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccccc1F ZINC000000424017 563612060 /nfs/dbraw/zinc/61/20/60/563612060.db2.gz IJVGZJIVFSHUQS-HNNXBMFYSA-N 0 0 307.777 4.258 50 0 DIAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccccc2C)C(=S)N1 ZINC000000424818 563612144 /nfs/dbraw/zinc/61/21/44/563612144.db2.gz BVENAHIPURLGBL-DNVCBOLYSA-N 0 0 324.449 4.238 50 0 DIAARN Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000000429831 563613300 /nfs/dbraw/zinc/61/33/00/563613300.db2.gz WYQGSGBVDCILPN-UHFFFAOYSA-N 0 0 313.788 4.451 50 0 DIAARN O=C(CSc1c[nH]c2ccccc12)N1CCCc2ccccc21 ZINC000000425895 563613382 /nfs/dbraw/zinc/61/33/82/563613382.db2.gz CVHOOZBCWQYELD-UHFFFAOYSA-N 0 0 322.433 4.239 50 0 DIAARN COc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 ZINC000000430741 563614068 /nfs/dbraw/zinc/61/40/68/563614068.db2.gz RPJKZSBTKLJSPT-PDGQHHTCSA-N 0 0 321.376 4.163 50 0 DIAARN COc1ccc(-n2c(=S)[nH]c3ccccc3c2=S)cc1 ZINC000000227634 563615462 /nfs/dbraw/zinc/61/54/62/563615462.db2.gz GQKGQHJVIGJFAV-UHFFFAOYSA-N 0 0 300.408 4.052 50 0 DIAARN CCC1CCC(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000078884846 563617803 /nfs/dbraw/zinc/61/78/03/563617803.db2.gz OOWZKVOCMCLULQ-HOAMVYINSA-N 0 0 305.384 4.440 50 0 DIAARN Cc1cc(C)n(CCc2nc(-c3ccc(C)c(C)c3)cs2)n1 ZINC000003254077 563622347 /nfs/dbraw/zinc/62/23/47/563622347.db2.gz YQXBEOQXFPVZKP-UHFFFAOYSA-N 0 0 311.454 4.483 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Br)s1 ZINC000003166554 563622356 /nfs/dbraw/zinc/62/23/56/563622356.db2.gz ZBXBOGDVBUZUTO-SECBINFHSA-N 0 0 322.227 4.102 50 0 DIAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)CC(C)C)cc1 ZINC000005594159 563624087 /nfs/dbraw/zinc/62/40/87/563624087.db2.gz QLXRQLBKHMQESN-UHFFFAOYSA-N 0 0 307.397 4.294 50 0 DIAARN CC[C@H](Oc1ccccc1)c1nc(-c2ccc(OC)cc2)no1 ZINC000000471939 563624645 /nfs/dbraw/zinc/62/46/45/563624645.db2.gz AEMWCACMSBVUNN-INIZCTEOSA-N 0 0 310.353 4.275 50 0 DIAARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1ccccc1F ZINC000007654063 563625593 /nfs/dbraw/zinc/62/55/93/563625593.db2.gz QPWXPGUIYYXOQA-JXMROGBWSA-N 0 0 323.289 4.174 50 0 DIAARN Cc1nc(C2CC2)oc1C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000273641538 563626435 /nfs/dbraw/zinc/62/64/35/563626435.db2.gz UYPMORXZCYLRTP-SUYBPPKGSA-N 0 0 324.424 4.267 50 0 DIAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000000101098 563627687 /nfs/dbraw/zinc/62/76/87/563627687.db2.gz HSIGLHFPOOYNJM-UHFFFAOYSA-N 0 0 301.361 4.141 50 0 DIAARN Cc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000000130359 563627772 /nfs/dbraw/zinc/62/77/72/563627772.db2.gz OUCVISQVCMCMRP-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000237369 563627999 /nfs/dbraw/zinc/62/79/99/563627999.db2.gz CYVYCDVRLVZJEI-UHFFFAOYSA-N 0 0 318.760 4.161 50 0 DIAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000172581 563628195 /nfs/dbraw/zinc/62/81/95/563628195.db2.gz BPVODZZDDZNVRX-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(N)s1 ZINC000000306326 563629161 /nfs/dbraw/zinc/62/91/61/563629161.db2.gz HCCCRZWBZCDBCN-UHFFFAOYSA-N 0 0 307.488 4.327 50 0 DIAARN O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1 ZINC000000379245 563629880 /nfs/dbraw/zinc/62/98/80/563629880.db2.gz YYCUDBFPZAJOHX-UHFFFAOYSA-N 0 0 305.830 4.139 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000476941 563629901 /nfs/dbraw/zinc/62/99/01/563629901.db2.gz DGSSYBIDRIVUDM-UHFFFAOYSA-N 0 0 311.381 4.239 50 0 DIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1 ZINC000000445069 563630363 /nfs/dbraw/zinc/63/03/63/563630363.db2.gz JISXFRROZUGTSZ-VQHVLOKHSA-N 0 0 306.192 4.323 50 0 DIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000000438058 563630413 /nfs/dbraw/zinc/63/04/13/563630413.db2.gz GMFPFCORNBJKPX-UHFFFAOYSA-N 0 0 313.360 4.482 50 0 DIAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1cccs1 ZINC000000433692 563630429 /nfs/dbraw/zinc/63/04/29/563630429.db2.gz MNIRUSQTAOVRIE-UHFFFAOYSA-N 0 0 323.439 4.109 50 0 DIAARN CSc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000001741622 563634358 /nfs/dbraw/zinc/63/43/58/563634358.db2.gz GSHHIRFEIBKXGB-UHFFFAOYSA-N 0 0 300.383 4.255 50 0 DIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)NC1CCCC1 ZINC000002165620 563634394 /nfs/dbraw/zinc/63/43/94/563634394.db2.gz GSRGBEZHXIMBGC-UHFFFAOYSA-N 0 0 306.715 4.423 50 0 DIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2cc[nH]c21 ZINC000001742779 563634447 /nfs/dbraw/zinc/63/44/47/563634447.db2.gz ZWLGSRXOOMZXOC-UHFFFAOYSA-N 0 0 318.298 4.117 50 0 DIAARN c1ccc(-c2ccc(NCn3nnc4ccccc43)cc2)cc1 ZINC000003149573 563637725 /nfs/dbraw/zinc/63/77/25/563637725.db2.gz PAICQBNMZLSXDA-UHFFFAOYSA-N 0 0 300.365 4.168 50 0 DIAARN S=C(Nc1ccccc1)N1CCCN1c1ccc(Cl)cc1 ZINC000003153821 563639329 /nfs/dbraw/zinc/63/93/29/563639329.db2.gz GTBFRUNWYANFKR-UHFFFAOYSA-N 0 0 317.845 4.164 50 0 DIAARN CCCCNc1c2ccccc2nc(Cl)c1C(=O)OCC ZINC000169437163 563647081 /nfs/dbraw/zinc/64/70/81/563647081.db2.gz SHOIJPWMNCAKEB-UHFFFAOYSA-N 0 0 306.793 4.277 50 0 DIAARN CC(C)CN1C(=O)N(c2ccc(Cl)cc2)[C@](C)(O)CC1(C)C ZINC000000494747 563650629 /nfs/dbraw/zinc/65/06/29/563650629.db2.gz CKUIPRQKFQVWNC-QGZVFWFLSA-N 0 0 324.852 4.115 50 0 DIAARN Cc1cc(N2Cc3ccccc3C2=N)ccc1Br ZINC000101087116 563650642 /nfs/dbraw/zinc/65/06/42/563650642.db2.gz OQWCXWBMHTYOHG-UHFFFAOYSA-N 0 0 301.187 4.103 50 0 DIAARN O=C(N[C@@H]1CCCc2occc21)OCc1ccc(Cl)cc1 ZINC000583651464 563651648 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563887800 /nfs/dbraw/zinc/88/78/00/563887800.db2.gz SDBABMGRHMDPLK-UHFFFAOYSA-N 0 0 311.772 4.430 50 0 DIAARN CSCc1ccc(C(=O)N2CCc3cc(F)cc(F)c32)cc1 ZINC000089493766 563887948 /nfs/dbraw/zinc/88/79/48/563887948.db2.gz VWQBGMIOMLVQBX-UHFFFAOYSA-N 0 0 319.376 4.031 50 0 DIAARN CCC(=O)N(Cc1cc(-c2ccc(C)c(C)c2)on1)C(C)C ZINC000036001754 563891794 /nfs/dbraw/zinc/89/17/94/563891794.db2.gz PCWWRTVMFFPXST-UHFFFAOYSA-N 0 0 300.402 4.105 50 0 DIAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)cc1 ZINC000064818482 563894076 /nfs/dbraw/zinc/89/40/76/563894076.db2.gz VKLVJJGDLJBGJY-UHFFFAOYSA-N 0 0 322.412 4.388 50 0 DIAARN CC(C)c1nc2ccc(C(=O)NC3CCCCCC3)cc2o1 ZINC000064968237 563895621 /nfs/dbraw/zinc/89/56/21/563895621.db2.gz NGEUORJECGZBBZ-UHFFFAOYSA-N 0 0 300.402 4.404 50 0 DIAARN CC(C)CNC(=O)c1cncc(-c2csc3ccccc32)c1 ZINC000036349328 563895820 /nfs/dbraw/zinc/89/58/20/563895820.db2.gz ZCOPIMJEAHHBRT-UHFFFAOYSA-N 0 0 310.422 4.349 50 0 DIAARN O=C1C[C@@H](c2ccccc2)c2sc(N3CCCCC3)nc2N1 ZINC000036356942 563896245 /nfs/dbraw/zinc/89/62/45/563896245.db2.gz YBAQTIUMJHPAGI-ZDUSSCGKSA-N 0 0 313.426 4.257 50 0 DIAARN O=C(Nc1cccc(Cl)c1)c1snnc1-c1ccccc1 ZINC000036358855 563896264 /nfs/dbraw/zinc/89/62/64/563896264.db2.gz FTEJPPZNROKLIR-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN O=C1C[C@H](c2cccnc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000036359718 563896270 /nfs/dbraw/zinc/89/62/70/563896270.db2.gz OVSARKRYOJHGHV-GFCCVEGCSA-N 0 0 324.771 4.044 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(C)c(C)c1)C[C@H](C)O2 ZINC000006842711 563896640 /nfs/dbraw/zinc/89/66/40/563896640.db2.gz KDZYTTMGJLGUKM-HNNXBMFYSA-N 0 0 310.397 4.431 50 0 DIAARN Cc1cccc(NC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)c1 ZINC000006842900 563896726 /nfs/dbraw/zinc/89/67/26/563896726.db2.gz BSUASJSNEHZXST-GFCCVEGCSA-N 0 0 316.788 4.468 50 0 DIAARN Cc1nc2ccc(NC(=O)c3ccc(F)cc3F)cc2s1 ZINC000006852563 563897139 /nfs/dbraw/zinc/89/71/39/563897139.db2.gz VAUBYKNEXOZZMY-UHFFFAOYSA-N 0 0 304.321 4.135 50 0 DIAARN Cc1csc(S[C@H](C)c2nnc(-c3cccs3)o2)n1 ZINC000006847095 563897203 /nfs/dbraw/zinc/89/72/03/563897203.db2.gz PHIIWGILAAYXOI-MRVPVSSYSA-N 0 0 309.441 4.416 50 0 DIAARN CCN(C(=O)NCc1noc2ccc(C)cc12)c1cccc(C)c1 ZINC000006866060 563897550 /nfs/dbraw/zinc/89/75/50/563897550.db2.gz MDYWVUVWKOOFLS-UHFFFAOYSA-N 0 0 323.396 4.181 50 0 DIAARN COc1ccc2[nH]cc([C@H](CC(=O)NCC(C)C)C(C)C)c2c1 ZINC000006871563 563897561 /nfs/dbraw/zinc/89/75/61/563897561.db2.gz XYFRKRSGKHMAKR-OAHLLOKOSA-N 0 0 316.445 4.078 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000036385104 563897564 /nfs/dbraw/zinc/89/75/64/563897564.db2.gz IJFDLVIKCALMSY-OAHLLOKOSA-N 0 0 318.420 4.106 50 0 DIAARN COc1ccccc1NC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000006876883 563897587 /nfs/dbraw/zinc/89/75/87/563897587.db2.gz VQGZQIHKABTZGQ-GFCCVEGCSA-N 0 0 314.410 4.228 50 0 DIAARN CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871699 563897633 /nfs/dbraw/zinc/89/76/33/563897633.db2.gz VPVLOZWHQSGVHW-UHFFFAOYSA-N 0 0 318.355 4.268 50 0 DIAARN CC[C@H](C)C(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 ZINC000036398054 563898810 /nfs/dbraw/zinc/89/88/10/563898810.db2.gz XQFVWRBTECQVKF-HNNXBMFYSA-N 0 0 312.413 4.153 50 0 DIAARN CCc1ccc(C[NH2+]Cc2c3ccc(C)cc3[nH]c2C(=O)[O-])cc1 ZINC000006894442 563898980 /nfs/dbraw/zinc/89/89/80/563898980.db2.gz QNSUXRQOGPGYEH-UHFFFAOYSA-N 0 0 322.408 4.027 50 0 DIAARN CCn1c(C)c(C)c2cc(C(=O)NCc3ccccc3)ccc21 ZINC000006912370 563899205 /nfs/dbraw/zinc/89/92/05/563899205.db2.gz ORXZMMWVRSEWTG-UHFFFAOYSA-N 0 0 306.409 4.208 50 0 DIAARN O[C@@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl ZINC000006937066 563899821 /nfs/dbraw/zinc/89/98/21/563899821.db2.gz XQXGPFGVDZJRNP-CYBMUJFWSA-N 0 0 321.163 4.125 50 0 DIAARN O=C(Nc1cc(F)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000006941859 563900140 /nfs/dbraw/zinc/90/01/40/563900140.db2.gz DZKICJRJXULODG-UHFFFAOYSA-N 0 0 317.213 4.116 50 0 DIAARN c1ccc(Cc2ccccc2-c2nnc(-c3cccnc3)o2)cc1 ZINC000006938475 563900153 /nfs/dbraw/zinc/90/01/53/563900153.db2.gz VWIJGNGLYJRWOL-UHFFFAOYSA-N 0 0 313.360 4.389 50 0 DIAARN O=C(Nc1cc(-c2ccsc2)no1)c1ccc2ccccc2n1 ZINC000065153238 563900395 /nfs/dbraw/zinc/90/03/95/563900395.db2.gz GQLWVASLFKMZDO-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN Cc1[nH]c2ccc(C(=O)NCCc3ccc(C)cc3)cc2c1C ZINC000007007367 563901323 /nfs/dbraw/zinc/90/13/23/563901323.db2.gz BPUJBKSTLOWJJO-UHFFFAOYSA-N 0 0 306.409 4.066 50 0 DIAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036620554 563901491 /nfs/dbraw/zinc/90/14/91/563901491.db2.gz YWAZFVGLPQDDAG-MRXNPFEDSA-N 0 0 302.324 4.334 50 0 DIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2cc(C)ccc2c1 ZINC000036636351 563902028 /nfs/dbraw/zinc/90/20/28/563902028.db2.gz JZEANQOABOZANI-QGZVFWFLSA-N 0 0 317.454 4.101 50 0 DIAARN Cc1ccc(CNC(=O)c2cc3cn(C4CC4)cc3s2)cc1 ZINC000065285601 563902237 /nfs/dbraw/zinc/90/22/37/563902237.db2.gz QPMCBAIOZPUDSV-UHFFFAOYSA-N 0 0 310.422 4.276 50 0 DIAARN CC(C)c1noc([C@H]2CCCCN2Cc2cccc(F)c2)n1 ZINC000065286158 563902249 /nfs/dbraw/zinc/90/22/49/563902249.db2.gz YULMFGQXTGVNHF-OAHLLOKOSA-N 0 0 303.381 4.059 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DIAARN C[C@H](O)CN=c1cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000238882033 563903907 /nfs/dbraw/zinc/90/39/07/563903907.db2.gz BVYUNABCYSKLSX-LBPRGKRZSA-N 0 0 313.784 4.035 50 0 DIAARN Cc1csc(SCc2nc(-c3ccccc3Cl)no2)n1 ZINC000007180597 563904231 /nfs/dbraw/zinc/90/42/31/563904231.db2.gz LQENBWIGUSXJRY-UHFFFAOYSA-N 0 0 323.830 4.447 50 0 DIAARN O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1Cl ZINC000007215070 563904599 /nfs/dbraw/zinc/90/45/99/563904599.db2.gz CUSHZTUPBYJCIM-CQSZACIVSA-N 0 0 322.191 4.247 50 0 DIAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccco1 ZINC000002961306 563904633 /nfs/dbraw/zinc/90/46/33/563904633.db2.gz LAUHYJXIRLADBR-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN CCOc1ccc2oc(=O)c(-c3nc4cc(C)ccc4[nH]3)cc2c1 ZINC000007344353 563905415 /nfs/dbraw/zinc/90/54/15/563905415.db2.gz VOAIARKMZIGLLJ-UHFFFAOYSA-N 0 0 320.348 4.043 50 0 DIAARN CCc1cccc(NC(=O)c2oc3ccccc3c2COC)c1 ZINC000007344530 563905446 /nfs/dbraw/zinc/90/54/46/563905446.db2.gz AMUVDJBBADOFBA-UHFFFAOYSA-N 0 0 309.365 4.394 50 0 DIAARN Cc1nn(Cc2cc(-c3ccc(Cl)cc3)no2)c(C)c1C ZINC000170591047 563906702 /nfs/dbraw/zinc/90/67/02/563906702.db2.gz NVBJKQZWSCZZJE-UHFFFAOYSA-N 0 0 301.777 4.165 50 0 DIAARN C[C@H](Nc1cccc(C[S@](C)=O)c1)c1ccc(F)c(F)c1 ZINC000170592759 563906710 /nfs/dbraw/zinc/90/67/10/563906710.db2.gz BJBGLRNQBFQGKR-MQJDWESPSA-N 0 0 309.381 4.016 50 0 DIAARN C=Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000170595908 563906930 /nfs/dbraw/zinc/90/69/30/563906930.db2.gz ACPJJXGUNAMYGP-UHFFFAOYSA-N 0 0 305.299 4.278 50 0 DIAARN O[C@H](CC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000170600502 563907295 /nfs/dbraw/zinc/90/72/95/563907295.db2.gz BJUQZWSBPZOEGF-SJFHUFEGSA-N 0 0 314.425 4.098 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc2c(O)cccc12 ZINC000007519919 563907788 /nfs/dbraw/zinc/90/77/88/563907788.db2.gz LSAAWOVDWYGGFQ-WFASDCNBSA-N 0 0 314.454 4.411 50 0 DIAARN Cc1ncncc1C(=O)Nc1c2ccccc2nc(C)c1C(C)C ZINC000170612098 563907985 /nfs/dbraw/zinc/90/79/85/563907985.db2.gz DIMUQYHJHGSOSS-UHFFFAOYSA-N 0 0 320.396 4.017 50 0 DIAARN O=C(c1ccsc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000170615305 563908497 /nfs/dbraw/zinc/90/84/97/563908497.db2.gz JHFWQBATDXMNMF-INIZCTEOSA-N 0 0 322.389 4.333 50 0 DIAARN O=C(OCc1cc(-c2cccs2)on1)c1ccccc1Cl ZINC000007548467 563908562 /nfs/dbraw/zinc/90/85/62/563908562.db2.gz XDXGNQZUHXSVBR-UHFFFAOYSA-N 0 0 319.769 4.414 50 0 DIAARN Nc1nc(Cl)cc(N[C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000170621379 563908615 /nfs/dbraw/zinc/90/86/15/563908615.db2.gz KCWXNWOPGUHLBS-AWEZNQCLSA-N 0 0 323.227 4.319 50 0 DIAARN Cc1nc(Cl)cc(N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000170626382 563908797 /nfs/dbraw/zinc/90/87/97/563908797.db2.gz CITVBCWFBJMKST-IINYFYTJSA-N 0 0 317.820 4.324 50 0 DIAARN Cc1noc([C@H](NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C(C)C)n1 ZINC000170625505 563908806 /nfs/dbraw/zinc/90/88/06/563908806.db2.gz ZPEBEMWMTGQKDF-JGGQBBKZSA-N 0 0 321.465 4.044 50 0 DIAARN Cc1cc(N2CCC[C@H]2c2cccc(N(C)C)c2)nc(C2CC2)n1 ZINC000170630517 563908922 /nfs/dbraw/zinc/90/89/22/563908922.db2.gz QLVUUNJJNJMKMK-SFHVURJKSA-N 0 0 322.456 4.070 50 0 DIAARN Cc1cc2c(nc1C)oc1c2ncnc1N(C)Cc1ccccc1 ZINC000071283427 563909020 /nfs/dbraw/zinc/90/90/20/563909020.db2.gz XWWHLPDOVYABBF-UHFFFAOYSA-N 0 0 318.380 4.024 50 0 DIAARN O=C(Nc1ccc2ncsc2c1)c1nc2ccccc2s1 ZINC000010217190 563909212 /nfs/dbraw/zinc/90/92/12/563909212.db2.gz BYWASINEYZETRP-UHFFFAOYSA-N 0 0 311.391 4.158 50 0 DIAARN O=C(Nc1ccc2ncsc2c1)c1ccc2c(c1)CCCC2 ZINC000010217282 563909319 /nfs/dbraw/zinc/90/93/19/563909319.db2.gz GBMARVNEYMCCOZ-UHFFFAOYSA-N 0 0 308.406 4.427 50 0 DIAARN C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000013331890 563909628 /nfs/dbraw/zinc/90/96/28/563909628.db2.gz PMARBBLBHSZRBR-VIFPVBQESA-N 0 0 310.184 4.271 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1Br ZINC000013746062 563909824 /nfs/dbraw/zinc/90/98/24/563909824.db2.gz FRKJRKPEXLHWHR-PWSUYJOCSA-N 0 0 311.223 4.149 50 0 DIAARN O=C(Cc1ccc(F)cc1)NCC1(c2cccs2)CCCC1 ZINC000013803127 563910044 /nfs/dbraw/zinc/91/00/44/563910044.db2.gz WGIWTVUDXKURBZ-UHFFFAOYSA-N 0 0 317.429 4.058 50 0 DIAARN CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1 ZINC000014205973 563910395 /nfs/dbraw/zinc/91/03/95/563910395.db2.gz FEINBLWLDQEYOA-UHFFFAOYSA-N 0 0 311.772 4.007 50 0 DIAARN O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000014211610 563910443 /nfs/dbraw/zinc/91/04/43/563910443.db2.gz VMWFFUCJDYTIPM-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCc2ccccn2)c1 ZINC000089616427 563910796 /nfs/dbraw/zinc/91/07/96/563910796.db2.gz QOXPIPVCBYPERF-HXUWFJFHSA-N 0 0 322.452 4.385 50 0 DIAARN Cc1cnc(NC(=O)c2ccc(C3SCCS3)cc2)s1 ZINC000014662277 563910872 /nfs/dbraw/zinc/91/08/72/563910872.db2.gz KQEDKDXIRHKZHU-UHFFFAOYSA-N 0 0 322.480 4.182 50 0 DIAARN CC(C)(C)c1csc(C2CCN(C(=O)c3ccco3)CC2)n1 ZINC000089725231 563911015 /nfs/dbraw/zinc/91/10/15/563911015.db2.gz SNAUIVMJOKPERR-UHFFFAOYSA-N 0 0 318.442 4.053 50 0 DIAARN O=C(Nc1cccc(-c2ncco2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000089779614 563911267 /nfs/dbraw/zinc/91/12/67/563911267.db2.gz COOIFZPGRLEHMY-DLBZAZTESA-N 0 0 322.339 4.223 50 0 DIAARN Cc1cccc(OCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000016837330 563911306 /nfs/dbraw/zinc/91/13/06/563911306.db2.gz XFWDJEHGHHUMAU-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN O=C(Nc1ccc(NCc2ccco2)cc1)N1CCCCCC1 ZINC000089797851 563911350 /nfs/dbraw/zinc/91/13/50/563911350.db2.gz WVCSUBMDCNYDHX-UHFFFAOYSA-N 0 0 313.401 4.300 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000089774655 563911371 /nfs/dbraw/zinc/91/13/71/563911371.db2.gz LLDPMJZKMYPPMK-BXUZGUMPSA-N 0 0 322.742 4.296 50 0 DIAARN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000089774591 563911374 /nfs/dbraw/zinc/91/13/74/563911374.db2.gz LHKULIIYYBBOJO-CABCVRRESA-N 0 0 317.841 4.090 50 0 DIAARN O=C1CCc2cc(NCc3cc4cc(F)ccc4o3)ccc2N1 ZINC000089807641 563911430 /nfs/dbraw/zinc/91/14/30/563911430.db2.gz RQEQVNUVWUETRL-UHFFFAOYSA-N 0 0 310.328 4.069 50 0 DIAARN FC(F)Cn1cc(NCc2ccc(-c3ccccc3)cc2)cn1 ZINC000089851165 563911830 /nfs/dbraw/zinc/91/18/30/563911830.db2.gz STTABSBHNBCQKV-UHFFFAOYSA-N 0 0 313.351 4.427 50 0 DIAARN c1ccc2sc(CSc3nnc(NC4CC4)s3)nc2c1 ZINC000007577454 563911891 /nfs/dbraw/zinc/91/18/91/563911891.db2.gz IYVHHCOEUAXUBJ-UHFFFAOYSA-N 0 0 320.468 4.014 50 0 DIAARN c1csc([C@@H](Nc2ncnc3c4ccccc4oc32)C2CC2)n1 ZINC000076061033 563912122 /nfs/dbraw/zinc/91/21/22/563912122.db2.gz MQNWISURXKHQJJ-ZDUSSCGKSA-N 0 0 322.393 4.396 50 0 DIAARN COc1ccccc1[C@H](C)SCc1nnc(-c2ccco2)o1 ZINC000076065281 563912189 /nfs/dbraw/zinc/91/21/89/563912189.db2.gz FHKCBFQJVNHXPG-NSHDSACASA-N 0 0 316.382 4.333 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC000089927275 563912454 /nfs/dbraw/zinc/91/24/54/563912454.db2.gz PBDLBYMFASZGIH-BDAKNGLRSA-N 0 0 320.742 4.062 50 0 DIAARN COc1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000000151336 563912800 /nfs/dbraw/zinc/91/28/00/563912800.db2.gz LQFOMQWSWSUWKE-UHFFFAOYSA-N 0 0 319.286 4.401 50 0 DIAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc(F)cc2)no1 ZINC000006728600 563913701 /nfs/dbraw/zinc/91/37/01/563913701.db2.gz KYJOTFNORQYPIH-UHFFFAOYSA-N 0 0 318.735 4.417 50 0 DIAARN CC(C)[C@H](CCNC(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000002098620 563913851 /nfs/dbraw/zinc/91/38/51/563913851.db2.gz MFCOUHMZEYYAKV-CABCVRRESA-N 0 0 323.502 4.345 50 0 biogenic DIAARN CN(Cc1ccccc1)c1cc(Oc2ccccc2F)ncn1 ZINC000037376543 563915608 /nfs/dbraw/zinc/91/56/08/563915608.db2.gz XTIIFTOENAIVSL-UHFFFAOYSA-N 0 0 309.344 4.044 50 0 DIAARN O=C(Nc1ccc(Cl)c2ncsc21)c1cccc(F)c1 ZINC000007598773 563915616 /nfs/dbraw/zinc/91/56/16/563915616.db2.gz DUOKWHAKOKBERX-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN O=C(/C=C/c1ccco1)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827495 563916531 /nfs/dbraw/zinc/91/65/31/563916531.db2.gz YRIFUPIMJXVLAU-JFDDCEBESA-N 0 0 315.419 4.322 50 0 DIAARN CCCn1nc(C)c(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)c1C ZINC000252549312 563917086 /nfs/dbraw/zinc/91/70/86/563917086.db2.gz RDOANPOTAAKDIS-SJORKVTESA-N 0 0 317.477 4.095 50 0 DIAARN COc1ccc2oc(C(=O)N3CCCc4ccccc43)c(C)c2c1 ZINC000007608307 563917282 /nfs/dbraw/zinc/91/72/82/563917282.db2.gz CWOAXQODINEVAR-UHFFFAOYSA-N 0 0 321.376 4.343 50 0 DIAARN c1ccc(-c2nnc(CN3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000007650874 563917664 /nfs/dbraw/zinc/91/76/64/563917664.db2.gz SSKZUZMVVLCBCK-UHFFFAOYSA-N 0 0 317.392 4.026 50 0 DIAARN Cc1cccc(COc2ccccc2C(=O)Nc2nccs2)c1 ZINC000007655071 563917669 /nfs/dbraw/zinc/91/76/69/563917669.db2.gz RSRFUOJJTXBQRX-UHFFFAOYSA-N 0 0 324.405 4.283 50 0 DIAARN Cc1c(Cl)cccc1NC(=S)NCc1ccccc1F ZINC000007642703 563917683 /nfs/dbraw/zinc/91/76/83/563917683.db2.gz OGYYHAIGWVSIHV-UHFFFAOYSA-N 0 0 308.809 4.274 50 0 DIAARN CC(C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699782 563917888 /nfs/dbraw/zinc/91/78/88/563917888.db2.gz CERIWKHSLYOMLN-UHFFFAOYSA-N 0 0 303.789 4.057 50 0 DIAARN CCN(CC)C(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007700041 563917895 /nfs/dbraw/zinc/91/78/95/563917895.db2.gz ISDAPXPGUURKFU-UHFFFAOYSA-N 0 0 317.816 4.401 50 0 DIAARN CCCOc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000007668903 563917953 /nfs/dbraw/zinc/91/79/53/563917953.db2.gz OOTDOPWQMNIHLC-UHFFFAOYSA-N 0 0 310.353 4.201 50 0 DIAARN CCc1nc2ccccc2n1CCOc1cccc(Cl)c1 ZINC000007718650 563918035 /nfs/dbraw/zinc/91/80/35/563918035.db2.gz FWVIFVPCAQHMKM-UHFFFAOYSA-N 0 0 300.789 4.331 50 0 DIAARN COc1cccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1O ZINC000007719278 563918117 /nfs/dbraw/zinc/91/81/17/563918117.db2.gz TWZHJEMVUJAOFK-CYBMUJFWSA-N 0 0 321.376 4.045 50 0 DIAARN O=C(NCc1ccccc1)c1cc2sccc2n1CC1CCC1 ZINC000037526190 563918360 /nfs/dbraw/zinc/91/83/60/563918360.db2.gz OBNWQJMZNYZFDL-UHFFFAOYSA-N 0 0 324.449 4.433 50 0 DIAARN O=C(Nc1nc2ccccc2[nH]1)c1cc2c(cccc2F)s1 ZINC000007737367 563918484 /nfs/dbraw/zinc/91/84/84/563918484.db2.gz YAALNGCNLSQLOW-UHFFFAOYSA-N 0 0 311.341 4.169 50 0 DIAARN Cc1cc2c(cc(C(=O)NC3CC3)n2Cc2cccc(C)c2)s1 ZINC000037542480 563918508 /nfs/dbraw/zinc/91/85/08/563918508.db2.gz VTIRNLMQKLHJNI-UHFFFAOYSA-N 0 0 324.449 4.260 50 0 DIAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1 ZINC000007755647 563918665 /nfs/dbraw/zinc/91/86/65/563918665.db2.gz OJCJVEQRCHKUJG-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN CCOc1ccccc1Oc1nc2cc(C)nn2c2ccccc21 ZINC000007737839 563918790 /nfs/dbraw/zinc/91/87/90/563918790.db2.gz WDRLTDZDSZMAHD-UHFFFAOYSA-N 0 0 319.364 4.382 50 0 DIAARN C[C@@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2s1 ZINC000007767401 563918962 /nfs/dbraw/zinc/91/89/62/563918962.db2.gz IIPXCWOEGLWYCH-LLVKDONJSA-N 0 0 314.435 4.416 50 0 DIAARN CCN(C)C(=O)c1cc2sccc2n1Cc1ccccc1C ZINC000037587529 563918977 /nfs/dbraw/zinc/91/89/77/563918977.db2.gz DWPMXJGAUYWBIK-UHFFFAOYSA-N 0 0 312.438 4.151 50 0 DIAARN CC(C)CCN=C1N=NC(C23CC4CC(CC(C4)C2)C3)CS1 ZINC000007778381 563919123 /nfs/dbraw/zinc/91/91/23/563919123.db2.gz SHLLMIYSKJSTJB-UHFFFAOYSA-N 0 0 319.518 4.297 50 0 DIAARN O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4)n3)cc2o1 ZINC000007786793 563919206 /nfs/dbraw/zinc/91/92/06/563919206.db2.gz VOWRIQYVUOXHFG-UHFFFAOYSA-N 0 0 312.325 4.051 50 0 DIAARN C[C@H](NCc1nnc(C2CC2)o1)c1cc2cc(Cl)ccc2o1 ZINC000195561423 563919811 /nfs/dbraw/zinc/91/98/11/563919811.db2.gz DNCLKBDGZSVGHP-VIFPVBQESA-N 0 0 317.776 4.197 50 0 DIAARN COC(=O)c1c(C)[nH]c(-c2csc(-c3cccs3)n2)c1C ZINC000007814116 563920009 /nfs/dbraw/zinc/92/00/09/563920009.db2.gz NKJQBKXXLZARSY-UHFFFAOYSA-N 0 0 318.423 4.270 50 0 DIAARN CCCNc1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 ZINC000007844138 563920077 /nfs/dbraw/zinc/92/00/77/563920077.db2.gz RNQYFQGCNOIQGN-UHFFFAOYSA-N 0 0 318.471 4.496 50 0 DIAARN C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1 ZINC000007917105 563920617 /nfs/dbraw/zinc/92/06/17/563920617.db2.gz ARLAXTLBCSEUSX-LLVKDONJSA-N 0 0 317.389 4.130 50 0 DIAARN C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1F ZINC000007917853 563920626 /nfs/dbraw/zinc/92/06/26/563920626.db2.gz UFVSESNWSRMWFL-LLVKDONJSA-N 0 0 317.389 4.130 50 0 DIAARN CNC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000054844818 563920710 /nfs/dbraw/zinc/92/07/10/563920710.db2.gz RXQBPDAVPMMEHG-OUKQBFOZSA-N 0 0 318.376 4.064 50 0 DIAARN O=C(Nc1cccc(Cl)c1)OC(C(F)(F)F)C(F)(F)F ZINC000003157028 563920790 /nfs/dbraw/zinc/92/07/90/563920790.db2.gz NULQZAXKBGOCFD-UHFFFAOYSA-N 0 0 321.604 4.382 50 0 DIAARN Cc1cccc(C2=N/C(=C\c3c(F)cccc3Cl)C(=O)O2)c1 ZINC000027499577 563921003 /nfs/dbraw/zinc/92/10/03/563921003.db2.gz GCJQPGMTSSTCEM-DHDCSXOGSA-N 0 0 315.731 4.132 50 0 DIAARN c1cc([C@H]2CC(c3ccccn3)=NN2c2ccccc2)cs1 ZINC000019909990 563923758 /nfs/dbraw/zinc/92/37/58/563923758.db2.gz PRWGTGFRMAYHLA-GOSISDBHSA-N 0 0 305.406 4.499 50 0 DIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@]2(C)O ZINC000039334533 563923902 /nfs/dbraw/zinc/92/39/02/563923902.db2.gz WYZDXEKUWRCKOB-ULBBQPHTSA-N 0 0 304.474 4.349 50 0 DIAARN CC(C)(C)c1ncn(Cc2csc(C3CCCCC3)n2)n1 ZINC000253427276 563925345 /nfs/dbraw/zinc/92/53/45/563925345.db2.gz DVXNTCOYMXRSIP-UHFFFAOYSA-N 0 0 304.463 4.128 50 0 DIAARN CCCCOCCCNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000002407345 563927831 /nfs/dbraw/zinc/92/78/31/563927831.db2.gz VBEVOUSUVADSTH-UHFFFAOYSA-N 0 0 312.417 4.038 50 0 DIAARN Clc1c2cnn([C@@H]3CCCCO3)c2ccc1Br ZINC000114547962 563927978 /nfs/dbraw/zinc/92/79/78/563927978.db2.gz YXQNMBVTZTZLEA-NSHDSACASA-N 0 0 315.598 4.151 50 0 DIAARN CCOP(=O)(Cc1c(C)oc(C)c1C(=O)CC)OCC ZINC000002438012 563928666 /nfs/dbraw/zinc/92/86/66/563928666.db2.gz DPZJKZIBBKKUTP-UHFFFAOYSA-N 0 0 302.307 4.255 50 0 DIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 ZINC000012529812 563928840 /nfs/dbraw/zinc/92/88/40/563928840.db2.gz VAZOAORHOPZGEG-UHFFFAOYSA-N 0 0 319.389 4.315 50 0 DIAARN CCc1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1 ZINC000012814306 563928919 /nfs/dbraw/zinc/92/89/19/563928919.db2.gz FDJBUWZKQJRHCU-VAWYXSNFSA-N 0 0 302.377 4.449 50 0 DIAARN CCC(CC)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000012758274 563928920 /nfs/dbraw/zinc/92/89/20/563928920.db2.gz JPJCFNDJCPUJGV-UHFFFAOYSA-N 0 0 317.458 4.104 50 0 DIAARN CCCc1c(C)nc2ncnn2c1Nc1ccc(C)c(Cl)c1 ZINC000013364951 563929546 /nfs/dbraw/zinc/92/95/46/563929546.db2.gz ZOOKPCWRZUGGQD-UHFFFAOYSA-N 0 0 315.808 4.091 50 0 DIAARN O=[S@](Cc1csc(-c2ccco2)n1)CC1CCCCC1 ZINC000078602606 563929633 /nfs/dbraw/zinc/92/96/33/563929633.db2.gz KKHXHXHXUAHJSP-HXUWFJFHSA-N 0 0 309.456 4.232 50 0 DIAARN CSc1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000078796576 563929806 /nfs/dbraw/zinc/92/98/06/563929806.db2.gz UQLLPVUCENLKNU-DTWKUNHWSA-N 0 0 323.405 4.321 50 0 DIAARN CC(C)[C@@H](C)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000078909038 563930090 /nfs/dbraw/zinc/93/00/90/563930090.db2.gz GHHCFQOMVAIPOD-GHMZBOCLSA-N 0 0 308.365 4.226 50 0 DIAARN O=C(CCCc1ccccc1)OCc1nc2ccc(F)cc2o1 ZINC000079098371 563930199 /nfs/dbraw/zinc/93/01/99/563930199.db2.gz AQMFCZATGBNYDE-UHFFFAOYSA-N 0 0 313.328 4.033 50 0 DIAARN C[C@@H](Sc1nnc(N)s1)[C@@H](C)c1nc2ccccc2s1 ZINC000079020072 563930284 /nfs/dbraw/zinc/93/02/84/563930284.db2.gz LREUHJGXGSXFBH-HTQZYQBOSA-N 0 0 322.484 4.014 50 0 DIAARN CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccnc(Cl)c1 ZINC000079104937 563930287 /nfs/dbraw/zinc/93/02/87/563930287.db2.gz PEFJGSCGOSZYNF-INIZCTEOSA-N 0 0 316.832 4.218 50 0 DIAARN Cc1ccc(CN(C(=O)N[C@H](C)c2ncc(C)s2)C(C)C)o1 ZINC000079081408 563930339 /nfs/dbraw/zinc/93/03/39/563930339.db2.gz MFTZNSALGYUHEM-CYBMUJFWSA-N 0 0 321.446 4.034 50 0 DIAARN Cc1cc(-c2csc(NC(=O)c3ccoc3C)n2)c(C)o1 ZINC000079852222 563930624 /nfs/dbraw/zinc/93/06/24/563930624.db2.gz AYJYKXKJWTTZNJ-UHFFFAOYSA-N 0 0 302.355 4.174 50 0 DIAARN Cc1cccc(CC(=O)NCCCc2cc3ccccc3o2)c1 ZINC000390831413 563930732 /nfs/dbraw/zinc/93/07/32/563930732.db2.gz RSCUAKDLJDZUSV-UHFFFAOYSA-N 0 0 307.393 4.033 50 0 DIAARN O=C(NCc1nc(C2CCCCC2)cs1)[C@@H]1CC=CCC1 ZINC000390830866 563930757 /nfs/dbraw/zinc/93/07/57/563930757.db2.gz NYROFSJTMPIOMU-CQSZACIVSA-N 0 0 304.459 4.163 50 0 DIAARN CCc1nnc2c3ccccc3nc(Nc3ccc(CC)cc3)n12 ZINC000020178028 563930891 /nfs/dbraw/zinc/93/08/91/563930891.db2.gz QLQARPOFKUCBBG-UHFFFAOYSA-N 0 0 317.396 4.146 50 0 DIAARN O=C(NCC1CCCCCCC1)c1c(Cl)nc2ccccn21 ZINC000095365212 563931199 /nfs/dbraw/zinc/93/11/99/563931199.db2.gz LBEWYFSFEQQEFI-UHFFFAOYSA-N 0 0 319.836 4.078 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccco3)cc2)oc1C ZINC000095381749 563931293 /nfs/dbraw/zinc/93/12/93/563931293.db2.gz QSJTWJQRWGNVCR-CVEARBPZSA-N 0 0 322.364 4.294 50 0 DIAARN O=[S@@](Cc1ccc(-c2ccccc2)cc1)CC1CCOCC1 ZINC000095439184 563931482 /nfs/dbraw/zinc/93/14/82/563931482.db2.gz BWWFSPNOKSKFGJ-JOCHJYFZSA-N 0 0 314.450 4.029 50 0 DIAARN O=C1c2ccccc2-c2cc(N3CCCC3)nc3cccc1c32 ZINC000020759358 563931787 /nfs/dbraw/zinc/93/17/87/563931787.db2.gz MSEDXTZQYVCCCG-UHFFFAOYSA-N 0 0 300.361 4.046 50 0 biogenic DIAARN Cc1cccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)c1C ZINC000020597593 563931841 /nfs/dbraw/zinc/93/18/41/563931841.db2.gz JDGMKXBNTVMBDR-MRXNPFEDSA-N 0 0 321.424 4.324 50 0 DIAARN C[C@H]1c2cccn2CCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000021050986 563931924 /nfs/dbraw/zinc/93/19/24/563931924.db2.gz VSNJRWQDRQESSN-NSHDSACASA-N 0 0 323.318 4.116 50 0 DIAARN Brc1ccc(NCc2nc3cccnc3s2)cc1 ZINC000095941904 563931971 /nfs/dbraw/zinc/93/19/71/563931971.db2.gz SBKNMMSERFBDIO-UHFFFAOYSA-N 0 0 320.215 4.066 50 0 DIAARN Cc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OCC(F)F ZINC000095940671 563932050 /nfs/dbraw/zinc/93/20/50/563932050.db2.gz NXEABVQFESFVSH-XYPHTWIQSA-N 0 0 323.383 4.008 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCc2sccc2C1 ZINC000095947110 563932166 /nfs/dbraw/zinc/93/21/66/563932166.db2.gz CXVJIZCYDUPJAF-ZDUSSCGKSA-N 0 0 324.449 4.167 50 0 DIAARN CC[C@@H](c1ccccc1)S(=O)(=O)Cc1cc(C)ccc1C ZINC000095962036 563932471 /nfs/dbraw/zinc/93/24/71/563932471.db2.gz ULKIFAVRRFTGIR-SFHVURJKSA-N 0 0 302.439 4.370 50 0 DIAARN C[C@@H](C(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000095961554 563932486 /nfs/dbraw/zinc/93/24/86/563932486.db2.gz DVGUAYHSWVYBJY-BXUZGUMPSA-N 0 0 305.830 4.479 50 0 DIAARN Cc1ccc(C)c(N(C)Cc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000095962689 563932578 /nfs/dbraw/zinc/93/25/78/563932578.db2.gz PJJXLOGAXXMZLN-UHFFFAOYSA-N 0 0 311.360 4.129 50 0 DIAARN CC(C)n1c(S[C@H](C)C(F)(F)F)nc2ccccc2c1=O ZINC000095965218 563932652 /nfs/dbraw/zinc/93/26/52/563932652.db2.gz AINFCRSHEZTZOQ-SECBINFHSA-N 0 0 316.348 4.020 50 0 DIAARN COc1cccc2c1CC[C@@H]2NCc1csc(C(C)C)n1 ZINC000095965884 563932766 /nfs/dbraw/zinc/93/27/66/563932766.db2.gz UTWMHLRRMUGMSA-HNNXBMFYSA-N 0 0 302.443 4.052 50 0 DIAARN COc1ccc([C@@H](NC(=O)C2=CCCC2)c2ccccc2)cc1 ZINC000095965967 563932976 /nfs/dbraw/zinc/93/29/76/563932976.db2.gz FBTNCUAAVWPVLP-IBGZPJMESA-N 0 0 307.393 4.011 50 0 DIAARN CC[C@H](c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000095977325 563933619 /nfs/dbraw/zinc/93/36/19/563933619.db2.gz ZBDNWQRPKLKPTK-QGZVFWFLSA-N 0 0 307.397 4.320 50 0 DIAARN CCc1nc2sccc2c(N[C@@H](CC)c2nccs2)n1 ZINC000095975944 563933693 /nfs/dbraw/zinc/93/36/93/563933693.db2.gz WCLJZLPNHNYGMA-JTQLQIEISA-N 0 0 304.444 4.273 50 0 DIAARN FC(F)(F)c1cc(NCc2ncc[nH]2)cc(C(F)(F)F)c1 ZINC000096003884 563934700 /nfs/dbraw/zinc/93/47/00/563934700.db2.gz MGOKDUIAVKAAGB-UHFFFAOYSA-N 0 0 309.213 4.059 50 0 DIAARN CC/C(=C\C(=O)NCc1cccc(COC)c1)c1ccc(C)cc1 ZINC000096035179 563935297 /nfs/dbraw/zinc/93/52/97/563935297.db2.gz ZDSBNEKDCAAIHY-CPNJWEJPSA-N 0 0 323.436 4.251 50 0 DIAARN CC(C)CC(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096114711 563935503 /nfs/dbraw/zinc/93/55/03/563935503.db2.gz XHKNWKLSPNRUTE-OAHLLOKOSA-N 0 0 304.821 4.361 50 0 biogenic DIAARN O=C(NCc1ccccc1-c1ccsc1)c1cccc(F)c1 ZINC000096122933 563935632 /nfs/dbraw/zinc/93/56/32/563935632.db2.gz ADYLKTJJHJTUDO-UHFFFAOYSA-N 0 0 311.381 4.484 50 0 DIAARN CO[C@](C)(CNC(=O)Nc1cccs1)c1cccc(Cl)c1 ZINC000096393226 563936551 /nfs/dbraw/zinc/93/65/51/563936551.db2.gz XSYLUAYFURGQRX-OAHLLOKOSA-N 0 0 324.833 4.085 50 0 DIAARN CC(C)c1ocnc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000096410529 563936886 /nfs/dbraw/zinc/93/68/86/563936886.db2.gz XFTNBGISQUCRLG-UHFFFAOYSA-N 0 0 313.401 4.405 50 0 DIAARN CC[C@H](NC(=O)Nc1cccc(CSC)c1)c1nccs1 ZINC000096415984 563936961 /nfs/dbraw/zinc/93/69/61/563936961.db2.gz GZALIQNGKSLXBT-ZDUSSCGKSA-N 0 0 321.471 4.279 50 0 DIAARN Cc1c(C[S@](C)=O)cccc1NCc1cccc2cccnc21 ZINC000096482898 563937387 /nfs/dbraw/zinc/93/73/87/563937387.db2.gz XGMDGXXRYBVIRS-HSZRJFAPSA-N 0 0 324.449 4.034 50 0 DIAARN Cc1nn(CC(C)C)c(Cl)c1CNc1ccc(F)cc1F ZINC000097049503 563937706 /nfs/dbraw/zinc/93/77/06/563937706.db2.gz SRVMECBSYAUCOM-UHFFFAOYSA-N 0 0 313.779 4.391 50 0 DIAARN CN(Cc1ccc(Cl)c(Cl)c1)c1cncc(Cl)n1 ZINC000097091639 563937759 /nfs/dbraw/zinc/93/77/59/563937759.db2.gz FFAODSDQXNWXNO-UHFFFAOYSA-N 0 0 302.592 4.073 50 0 DIAARN FC(F)(F)c1ccnc(N2CCCC[C@H]2c2ccccc2)n1 ZINC000225603217 563938225 /nfs/dbraw/zinc/93/82/25/563938225.db2.gz DJCPQHLUDVLFSU-ZDUSSCGKSA-N 0 0 307.319 4.227 50 0 DIAARN CO[C@H](CSc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000225777570 563938568 /nfs/dbraw/zinc/93/85/68/563938568.db2.gz HLXSLBMZFWMADU-SECBINFHSA-N 0 0 320.361 4.037 50 0 DIAARN O=C(NCc1ccnc(-c2ccsc2)c1)Nc1ccccc1 ZINC000225757164 563938648 /nfs/dbraw/zinc/93/86/48/563938648.db2.gz WMCMYOTZUSYBNX-UHFFFAOYSA-N 0 0 309.394 4.132 50 0 DIAARN CCCCc1ccc(NC(=O)CN2CCCc3ccccc32)cc1 ZINC000002541824 563938813 /nfs/dbraw/zinc/93/88/13/563938813.db2.gz QWAZMEYXNTXKGV-UHFFFAOYSA-N 0 0 322.452 4.421 50 0 DIAARN O=C(CCC1CCCCC1)Nc1cnn(Cc2ccccc2)c1 ZINC000028220289 563939029 /nfs/dbraw/zinc/93/90/29/563939029.db2.gz MTVPQHSLHGONNT-UHFFFAOYSA-N 0 0 311.429 4.230 50 0 DIAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C=C(C1CC1)C1CC1 ZINC000055736835 563939098 /nfs/dbraw/zinc/93/90/98/563939098.db2.gz KPFUDKKCURAPJS-CYBMUJFWSA-N 0 0 320.436 4.360 50 0 DIAARN CC(C)COc1ccc(C(=O)c2ccc(Br)o2)cc1 ZINC000028294004 563939129 /nfs/dbraw/zinc/93/91/29/563939129.db2.gz NNHYXUYROCLTKU-UHFFFAOYSA-N 0 0 323.186 4.308 50 0 DIAARN Cc1ccsc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 ZINC000028303547 563939130 /nfs/dbraw/zinc/93/91/30/563939130.db2.gz SXBPPQMFUVZHRF-UHFFFAOYSA-N 0 0 317.801 4.148 50 0 DIAARN Cc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000028406031 563939387 /nfs/dbraw/zinc/93/93/87/563939387.db2.gz CTRMZFCWJYKJNS-UHFFFAOYSA-N 0 0 319.343 4.007 50 0 DIAARN CCC(CC)C(=O)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028405281 563939423 /nfs/dbraw/zinc/93/94/23/563939423.db2.gz RWUDILYHYRLCEH-UHFFFAOYSA-N 0 0 300.377 4.190 50 0 DIAARN Cc1occc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000131451189 563939425 /nfs/dbraw/zinc/93/94/25/563939425.db2.gz JINSWEKEWYPFPH-LBPRGKRZSA-N 0 0 307.440 4.105 50 0 DIAARN COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1Cl ZINC000002616743 563939589 /nfs/dbraw/zinc/93/95/89/563939589.db2.gz GNENJJRSPPWLJJ-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN COc1ccc(CN(C)Cn2c3ccccc3oc2=S)cc1 ZINC000002633601 563939837 /nfs/dbraw/zinc/93/98/37/563939837.db2.gz CJMUGHJFJHKABF-UHFFFAOYSA-N 0 0 314.410 4.062 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1F ZINC000002639423 563939911 /nfs/dbraw/zinc/93/99/11/563939911.db2.gz JNFZLPMSFYRCFU-UHFFFAOYSA-N 0 0 302.736 4.142 50 0 DIAARN C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002647702 563940012 /nfs/dbraw/zinc/94/00/12/563940012.db2.gz IWWCXZAGAOEOAG-NSHDSACASA-N 0 0 324.207 4.250 50 0 DIAARN CCC(C)(C)NC(=O)c1oc2ccc(Br)cc2c1C ZINC000002644519 563940045 /nfs/dbraw/zinc/94/00/45/563940045.db2.gz AODFHBOFFWYHCV-UHFFFAOYSA-N 0 0 324.218 4.422 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(F)(F)F ZINC000002641395 563940056 /nfs/dbraw/zinc/94/00/56/563940056.db2.gz DXIRDEGSKPBVMB-UHFFFAOYSA-N 0 0 319.666 4.023 50 0 DIAARN COc1cc(OC)c(NC(=O)c2cccc(C)c2C)cc1Cl ZINC000002650388 563940141 /nfs/dbraw/zinc/94/01/41/563940141.db2.gz YRJUNXJOFNKWLK-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000002658946 563940272 /nfs/dbraw/zinc/94/02/72/563940272.db2.gz DZVQXXMUMDMNND-LBPRGKRZSA-N 0 0 321.323 4.002 50 0 DIAARN Cc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1C ZINC000002726657 563940331 /nfs/dbraw/zinc/94/03/31/563940331.db2.gz BKORKZISOXSUJC-UHFFFAOYSA-N 0 0 319.404 4.363 50 0 aggregator DIAARN CCn1nc(C)c2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000002732353 563940628 /nfs/dbraw/zinc/94/06/28/563940628.db2.gz DAKUKCVZJAQDNJ-UHFFFAOYSA-N 0 0 317.339 4.373 50 0 DIAARN CCn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c(C)n1 ZINC000002782300 563940726 /nfs/dbraw/zinc/94/07/26/563940726.db2.gz QVNBIYQHIUNYEC-UHFFFAOYSA-N 0 0 317.477 4.319 50 0 DIAARN CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)NCCCOC)cc1 ZINC000002780390 563940808 /nfs/dbraw/zinc/94/08/08/563940808.db2.gz SCWOQYXJVNCEKF-RHSMWYFYSA-N 0 0 322.518 4.152 50 0 DIAARN Cc1cc(C)cc(N[C@@H](C)C(=O)NCCC2=CCCCC2)c1 ZINC000028874700 563940848 /nfs/dbraw/zinc/94/08/48/563940848.db2.gz QXJJXNAKKHFZQY-INIZCTEOSA-N 0 0 300.446 4.111 50 0 DIAARN Cc1ccc(-c2noc(-c3cc(-c4ccccc4)on3)n2)cc1 ZINC000002807994 563940884 /nfs/dbraw/zinc/94/08/84/563940884.db2.gz CLFWEZFFXQYJSP-UHFFFAOYSA-N 0 0 303.321 4.367 50 0 DIAARN Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000029515433 563941232 /nfs/dbraw/zinc/94/12/32/563941232.db2.gz UDOKTPALCQSFLA-CHWSQXEVSA-N 0 0 314.454 4.237 50 0 DIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)cnn1-c1ccc(C)cc1 ZINC000029459806 563941235 /nfs/dbraw/zinc/94/12/35/563941235.db2.gz XYIGVYMZBTZCDO-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN CC(C)(C)c1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])s1 ZINC000262379785 563941393 /nfs/dbraw/zinc/94/13/93/563941393.db2.gz YPKWTUGOWRUVQJ-CFVMTHIKSA-N 0 0 321.486 4.263 50 0 DIAARN Cc1ccc(CNC(=O)CCSCc2cccc(F)c2)cc1 ZINC000003031661 563941655 /nfs/dbraw/zinc/94/16/55/563941655.db2.gz JBMLSHSHRILFTN-UHFFFAOYSA-N 0 0 317.429 4.074 50 0 DIAARN COC(=O)c1cc2oc(C)cc2n1Cc1c(F)cccc1Cl ZINC000003030917 563941660 /nfs/dbraw/zinc/94/16/60/563941660.db2.gz BJLHKDQITRJKRO-UHFFFAOYSA-N 0 0 321.735 4.170 50 0 DIAARN C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1csc(C2CC2)n1 ZINC000230110306 563941746 /nfs/dbraw/zinc/94/17/46/563941746.db2.gz SVVOUULIIFGKJY-SLEUVZQESA-N 0 0 319.474 4.056 50 0 DIAARN CCCCCc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000003037877 563941769 /nfs/dbraw/zinc/94/17/69/563941769.db2.gz PAEJTWXKIPKSCY-UHFFFAOYSA-N 0 0 309.822 4.177 50 0 DIAARN COc1ccc(COC(=O)N/C=C/c2ccc(Cl)cc2)cc1 ZINC000003105669 563942030 /nfs/dbraw/zinc/94/20/30/563942030.db2.gz LUMVQUIHPPRABE-ZHACJKMWSA-N 0 0 317.772 4.246 50 0 DIAARN COc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1 ZINC000003105694 563942118 /nfs/dbraw/zinc/94/21/18/563942118.db2.gz WTJDLWXKWTWMKR-ZHACJKMWSA-N 0 0 302.761 4.141 50 0 DIAARN Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(C)cc1 ZINC000003116644 563942364 /nfs/dbraw/zinc/94/23/64/563942364.db2.gz RJVSWDYDOULNFE-UHFFFAOYSA-N 0 0 310.378 4.041 50 0 DIAARN Fc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 ZINC000003151512 563942475 /nfs/dbraw/zinc/94/24/75/563942475.db2.gz GURASTYUHPOUKX-UHFFFAOYSA-N 0 0 313.401 4.488 50 0 DIAARN O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1cccnc1 ZINC000003169409 563942552 /nfs/dbraw/zinc/94/25/52/563942552.db2.gz DSTCQPYWIPUQQR-VMPITWQZSA-N 0 0 306.337 4.048 50 0 DIAARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccco2)C1(F)F ZINC000003188832 563942594 /nfs/dbraw/zinc/94/25/94/563942594.db2.gz WJXXJJRRLXZUIF-LLVKDONJSA-N 0 0 317.213 4.022 50 0 DIAARN CC(C)c1ccc2nc(CO[C@@H]3CCCC[C@H]3C)[nH]c(=O)c2c1 ZINC000057771814 563942616 /nfs/dbraw/zinc/94/26/16/563942616.db2.gz XTZCLJRKOHCWAS-CXAGYDPISA-N 0 0 314.429 4.142 50 0 DIAARN CCCCCO[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl ZINC000003176750 563942657 /nfs/dbraw/zinc/94/26/57/563942657.db2.gz XWBDRWCBBDORGD-LLVKDONJSA-N 0 0 318.672 4.052 50 0 DIAARN COC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003179083 563942665 /nfs/dbraw/zinc/94/26/65/563942665.db2.gz YDKVALYTSJBETL-UHFFFAOYSA-N 0 0 310.459 4.252 50 0 DIAARN CN(C)[P@](=O)(Nc1ccccc1)C(Cl)(Cl)Cl ZINC000003202959 563942825 /nfs/dbraw/zinc/94/28/25/563942825.db2.gz UJRQBMJWENMAGW-MRXNPFEDSA-N 0 0 301.541 4.181 50 0 DIAARN COc1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21 ZINC000003208823 563942863 /nfs/dbraw/zinc/94/28/63/563942863.db2.gz KEBOTHYJZDPPDA-OAHLLOKOSA-N 0 0 312.438 4.059 50 0 DIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1CCCCC1 ZINC000003220084 563943038 /nfs/dbraw/zinc/94/30/38/563943038.db2.gz AWUIAYNQLHMDRX-PVAVHDDUSA-N 0 0 324.461 4.114 50 0 DIAARN O=C(CSCc1ccco1)c1ccccc1Br ZINC000003264975 563943363 /nfs/dbraw/zinc/94/33/63/563943363.db2.gz KAERONLZZSRWTD-UHFFFAOYSA-N 0 0 311.200 4.158 50 0 DIAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)o1 ZINC000003266286 563943379 /nfs/dbraw/zinc/94/33/79/563943379.db2.gz LYGRNBTYIUNQHN-UHFFFAOYSA-N 0 0 321.764 4.216 50 0 DIAARN O=C(c1cc2ccccc2s1)N1CCO[C@H](c2ccccc2)C1 ZINC000030765935 563943772 /nfs/dbraw/zinc/94/37/72/563943772.db2.gz IZUBVEOYLZENGJ-INIZCTEOSA-N 0 0 323.417 4.115 50 0 DIAARN Cc1cc2occ(CC(=O)N[C@@H]3CCc4ccccc43)c2cc1C ZINC000058157547 563943992 /nfs/dbraw/zinc/94/39/92/563943992.db2.gz UDOFPHQSJOEYFV-LJQANCHMSA-N 0 0 319.404 4.396 50 0 DIAARN Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c2cccnc12 ZINC000031083645 563944146 /nfs/dbraw/zinc/94/41/46/563944146.db2.gz ZHUXTRLKLWVKON-UHFFFAOYSA-N 0 0 315.376 4.287 50 0 DIAARN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031389412 563944310 /nfs/dbraw/zinc/94/43/10/563944310.db2.gz QWUXGEKKOVZDRP-ZDUSSCGKSA-N 0 0 302.443 4.396 50 0 DIAARN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc[nH]c1=S ZINC000031245777 563944376 /nfs/dbraw/zinc/94/43/76/563944376.db2.gz KRWFWGHAWUHGGH-UHFFFAOYSA-N 0 0 314.410 4.318 50 0 DIAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(F)c1 ZINC000031455917 563944508 /nfs/dbraw/zinc/94/45/08/563944508.db2.gz XMPANIDICFJYKH-UHFFFAOYSA-N 0 0 322.339 4.052 50 0 DIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C)c(F)c2)n1 ZINC000031543771 563944513 /nfs/dbraw/zinc/94/45/13/563944513.db2.gz LYOOPBJQUVDOEC-UHFFFAOYSA-N 0 0 323.371 4.189 50 0 DIAARN Cc1ccc(NC(=O)CCOc2cccc(F)c2)c(Cl)c1 ZINC000031551258 563944577 /nfs/dbraw/zinc/94/45/77/563944577.db2.gz LAYIMOSZKRVFPT-UHFFFAOYSA-N 0 0 307.752 4.195 50 0 DIAARN CC(C)c1nc(CC(=O)N2CCc3sccc3[C@H]2C)cs1 ZINC000031714946 563944844 /nfs/dbraw/zinc/94/48/44/563944844.db2.gz ZHDCIUPYAHCKFT-LLVKDONJSA-N 0 0 320.483 4.016 50 0 DIAARN Clc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl ZINC000031943917 563944969 /nfs/dbraw/zinc/94/49/69/563944969.db2.gz GXOQICRUNKHOGY-UHFFFAOYSA-N 0 0 321.163 4.308 50 0 DIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(C)c1 ZINC000031912808 563944981 /nfs/dbraw/zinc/94/49/81/563944981.db2.gz ITUOXWFUNWLYFR-UHFFFAOYSA-N 0 0 324.355 4.028 50 0 DIAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC000031820886 563945030 /nfs/dbraw/zinc/94/50/30/563945030.db2.gz QTXBTXTZDCHGGD-MRXNPFEDSA-N 0 0 319.364 4.005 50 0 DIAARN O=C(Nc1ccccn1)c1cc(-c2ccco2)nc2ccccc21 ZINC000032096275 563945359 /nfs/dbraw/zinc/94/53/59/563945359.db2.gz AHGOAZBMLOISBT-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN O=C(CCc1ccccc1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032096189 563945394 /nfs/dbraw/zinc/94/53/94/563945394.db2.gz XUCWLQPMJNDUOH-UHFFFAOYSA-N 0 0 318.420 4.292 50 0 DIAARN O=C(/C=C/c1ccccc1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032096174 563945398 /nfs/dbraw/zinc/94/53/98/563945398.db2.gz INERFNKPMVMHJC-FMIVXFBMSA-N 0 0 316.404 4.372 50 0 DIAARN Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccccc1 ZINC000032193539 563945581 /nfs/dbraw/zinc/94/55/81/563945581.db2.gz NZAYTIMNHGQZKX-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2c1C ZINC000032277756 563945602 /nfs/dbraw/zinc/94/56/02/563945602.db2.gz MHHYEKCRCADZPY-LJQANCHMSA-N 0 0 319.408 4.157 50 0 DIAARN CN(Cc1nnc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 ZINC000032512299 563945708 /nfs/dbraw/zinc/94/57/08/563945708.db2.gz WTIUZIKYZLCUBC-SFHVURJKSA-N 0 0 319.408 4.246 50 0 DIAARN CC(C)(NC(=O)[C@@H]1CC=CCC1)c1ccc(Br)cc1 ZINC000032398972 563945743 /nfs/dbraw/zinc/94/57/43/563945743.db2.gz YNXXTNUJVWCPGY-GFCCVEGCSA-N 0 0 322.246 4.157 50 0 DIAARN COCCc1ccc(Oc2ncnc3sc(C)c(C)c32)cc1 ZINC000007983791 563945865 /nfs/dbraw/zinc/94/58/65/563945865.db2.gz RYBAIVHJEAWRLJ-UHFFFAOYSA-N 0 0 314.410 4.289 50 0 DIAARN Clc1ccc2c(c1)nccc2Sc1nnc2ccccn21 ZINC000007982247 563945867 /nfs/dbraw/zinc/94/58/67/563945867.db2.gz HKIAYKLDNNAUSA-UHFFFAOYSA-N 0 0 312.785 4.082 50 0 DIAARN CCCCCCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000007995629 563946092 /nfs/dbraw/zinc/94/60/92/563946092.db2.gz DEUVDNIHFFZTIT-UHFFFAOYSA-N 0 0 302.443 4.049 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2nc3cc(C)c(C)cc3s2)s1 ZINC000007996290 563946146 /nfs/dbraw/zinc/94/61/46/563946146.db2.gz GSJLFXHEEQNEPU-UHFFFAOYSA-N 0 0 317.439 4.239 50 0 DIAARN CCCCOc1ccccc1NC(=O)c1sc(C)nc1C ZINC000007995373 563946190 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Cc1ccnc([C@H](Nc2nccc(C3CCCC3)n2)C2CC2)c1 ZINC000071751983 191023229 /nfs/dbraw/zinc/02/32/29/191023229.db2.gz WIAPBTNFSSKUHN-GOSISDBHSA-N 0 0 308.429 4.401 50 0 DIAARN Cc1nc(Cn2ccnc2-c2cc(-c3ccccc3)no2)cs1 ZINC000071765284 191027647 /nfs/dbraw/zinc/02/76/47/191027647.db2.gz VNEXUKTZUAKHDP-UHFFFAOYSA-N 0 0 322.393 4.018 50 0 DIAARN C[C@H](CCn1cccn1)n1ccnc1-c1ccc(Cl)cc1 ZINC000071763609 191027855 /nfs/dbraw/zinc/02/78/55/191027855.db2.gz YXXOLLPIJKOAFI-CYBMUJFWSA-N 0 0 300.793 4.051 50 0 DIAARN Cc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767120 191029054 /nfs/dbraw/zinc/02/90/54/191029054.db2.gz CIGLPRDDEJOFFY-SFTDATJTSA-N 0 0 303.405 4.430 50 0 DIAARN COc1ccccc1[C@](C)(O)[C@H](c1ccccc1)c1ccccn1 ZINC000071767115 191029227 /nfs/dbraw/zinc/02/92/27/191029227.db2.gz MDTYMWYKVDDFPJ-RTWAWAEBSA-N 0 0 319.404 4.130 50 0 DIAARN CC(C)c1nnsc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000072122324 191040542 /nfs/dbraw/zinc/04/05/42/191040542.db2.gz IQPDTIVISJHZPI-CQSZACIVSA-N 0 0 305.422 4.138 50 0 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MQXGDIOHEXSKFV-SJORKVTESA-N 0 0 317.348 4.073 50 0 DIAARN COC1(c2noc(-c3cccc(-c4ccccn4)c3C)n2)CCC1 ZINC000225600811 186282277 /nfs/dbraw/zinc/28/22/77/186282277.db2.gz AUUKKFJLWCWTAL-UHFFFAOYSA-N 0 0 321.380 4.133 50 0 DIAARN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)/C=C/c1cncs1 ZINC000225648266 186286645 /nfs/dbraw/zinc/28/66/45/186286645.db2.gz DKCMIMUWNZXFII-QZEKMECESA-N 0 0 314.454 4.320 50 0 DIAARN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCCCCCC1 ZINC000225656741 186287349 /nfs/dbraw/zinc/28/73/49/186287349.db2.gz FYODGMUKUCWAKU-UHFFFAOYSA-N 0 0 315.457 4.468 50 0 DIAARN Cc1ccccc1C(=O)NCc1cncc(-c2cccs2)c1 ZINC000225663402 186287759 /nfs/dbraw/zinc/28/77/59/186287759.db2.gz PZAFUCQMQHQISF-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN CC(C)c1nc2cc(NC(=O)c3cccc4[nH]ccc43)ccc2[nH]1 ZINC000253400486 186306920 /nfs/dbraw/zinc/30/69/20/186306920.db2.gz DYEDQMPOOHWDOC-UHFFFAOYSA-N 0 0 318.380 4.420 50 0 DIAARN CC(=O)c1ccc(C)cc1OC(=O)c1ccccc1OC(C)C ZINC000072323941 191121536 /nfs/dbraw/zinc/12/15/36/191121536.db2.gz OEIBFNGXBJQCRR-UHFFFAOYSA-N 0 0 312.365 4.204 50 0 biogenic DIAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1Cl ZINC000072331679 191124920 /nfs/dbraw/zinc/12/49/20/191124920.db2.gz HUXSIWYHXAOHGN-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN Cc1cc(O[C@@H](C)C(=O)N2CCc3ccccc32)ccc1Cl ZINC000000036207 180673838 /nfs/dbraw/zinc/67/38/38/180673838.db2.gz YTGVYIMPJLBUEH-ZDUSSCGKSA-N 0 0 315.800 4.005 50 0 DIAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC1CCCCCC1 ZINC000000036354 180673884 /nfs/dbraw/zinc/67/38/84/180673884.db2.gz JHEXNANCEAYZDG-DGCLKSJQSA-N 0 0 304.261 4.417 50 0 DIAARN Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)c1 ZINC000000038819 180674905 /nfs/dbraw/zinc/67/49/05/180674905.db2.gz PIGSLBYSAYSCEM-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN Brc1ccc(-c2nnc(Cc3ccccc3)o2)cc1 ZINC000000041695 180675473 /nfs/dbraw/zinc/67/54/73/180675473.db2.gz JFBSIECKBRXIKV-UHFFFAOYSA-N 0 0 315.170 4.090 50 0 DIAARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000044273 180676689 /nfs/dbraw/zinc/67/66/89/180676689.db2.gz SJYUXSHSBAFKKC-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)C1CCC1 ZINC000072401980 191151291 /nfs/dbraw/zinc/15/12/91/191151291.db2.gz NMXDRRFLUSMCAI-UHFFFAOYSA-N 0 0 307.353 4.094 50 0 DIAARN CC(=O)Oc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000000054870 180679419 /nfs/dbraw/zinc/67/94/19/180679419.db2.gz ZUHGTQRQPRHKQA-UHFFFAOYSA-N 0 0 314.724 4.243 50 0 DIAARN CCOc1cccc(=O)c2c(C)n(-c3cccc(OC)c3)c(C)c21 ZINC000000054458 180679549 /nfs/dbraw/zinc/67/95/49/180679549.db2.gz OCIHHUAEJBWTFT-UHFFFAOYSA-N 0 0 323.392 4.015 50 0 DIAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3ccccc32)N1 ZINC000000079866 180686223 /nfs/dbraw/zinc/68/62/23/180686223.db2.gz YBIPARJWOCNQDK-HNNXBMFYSA-N 0 0 317.344 4.043 50 0 DIAARN CCN(CC)C(=O)c1c2cc(O)ccc2oc1-c1ccccc1 ZINC000000095531 180690767 /nfs/dbraw/zinc/69/07/67/180690767.db2.gz JPOMYZLMLHXXPX-UHFFFAOYSA-N 0 0 309.365 4.287 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000000097465 180691006 /nfs/dbraw/zinc/69/10/06/180691006.db2.gz GWUVFYUAKFHSNW-UHFFFAOYSA-N 0 0 302.786 4.131 50 0 DIAARN COc1cc(OC)cc(C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000000098125 180691329 /nfs/dbraw/zinc/69/13/29/180691329.db2.gz CXHZCVQMZLNUIJ-UHFFFAOYSA-N 0 0 313.397 4.388 50 0 DIAARN COc1cccc(NC(=S)Nc2ccccc2-n2cccc2)c1 ZINC000000117722 180698141 /nfs/dbraw/zinc/69/81/41/180698141.db2.gz BXMRTICBZSXSBG-UHFFFAOYSA-N 0 0 323.421 4.295 50 0 DIAARN Cc1cn(CCC(=O)Nc2cc(F)ccc2C)c2ccccc12 ZINC000000119607 180699323 /nfs/dbraw/zinc/69/93/23/180699323.db2.gz MRLQIVOLPQZEQM-UHFFFAOYSA-N 0 0 310.372 4.426 50 0 DIAARN O=C(Oc1ccc(C2=NCCS2)cc1)c1ccccc1Cl ZINC000000119944 180699556 /nfs/dbraw/zinc/69/95/56/180699556.db2.gz GLKXOLCLAVVCEC-UHFFFAOYSA-N 0 0 317.797 4.053 50 0 DIAARN Cc1ccc(Nc2ccc(NC(=O)c3ccccc3C)cc2)nn1 ZINC000072436793 191166515 /nfs/dbraw/zinc/16/65/15/191166515.db2.gz SKBAGMIIDNUBCY-UHFFFAOYSA-N 0 0 318.380 4.089 50 0 DIAARN CNc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000000144231 180707164 /nfs/dbraw/zinc/70/71/64/180707164.db2.gz RGOKGZCGPOFYFI-YPMHNXCESA-N 0 0 308.853 4.326 50 0 DIAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000000127500 180701731 /nfs/dbraw/zinc/70/17/31/180701731.db2.gz KTFGYHXOGPMTCD-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1C ZINC000000149674 180709238 /nfs/dbraw/zinc/70/92/38/180709238.db2.gz FFKRHSTZRHNMFX-ZHACJKMWSA-N 0 0 301.773 4.309 50 0 DIAARN Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 ZINC000000149932 180709411 /nfs/dbraw/zinc/70/94/11/180709411.db2.gz IGRMOJWYJRWYIQ-UHFFFAOYSA-N 0 0 311.410 4.056 50 0 DIAARN COc1ccc([C@@H]2CC(=O)c3cc(C)cc(C)c3O2)cc1OC ZINC000000150934 180709607 /nfs/dbraw/zinc/70/96/07/180709607.db2.gz WEFWMKYUKWLVQX-KRWDZBQOSA-N 0 0 312.365 4.027 50 0 DIAARN Cc1c(NC(=O)Nc2ccc(Cl)cc2)sc(=S)n1C ZINC000000171096 180713700 /nfs/dbraw/zinc/71/37/00/180713700.db2.gz UYJPGKVIZRICMW-UHFFFAOYSA-N 0 0 313.835 4.422 50 0 DIAARN COC(=O)c1sccc1OCc1ccc(Cl)cc1Cl ZINC000000169870 180713982 /nfs/dbraw/zinc/71/39/82/180713982.db2.gz RJOPYEKBTLPHSE-UHFFFAOYSA-N 0 0 317.193 4.421 50 0 DIAARN CCc1cc2c(cc1OC)oc(C)c(Oc1ccccc1)c2=O ZINC000000189793 180720263 /nfs/dbraw/zinc/72/02/63/180720263.db2.gz AKUXEGDQSAHBBH-UHFFFAOYSA-N 0 0 310.349 4.465 50 0 biogenic DIAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1F ZINC000000193824 180721760 /nfs/dbraw/zinc/72/17/60/180721760.db2.gz VPOIMNOKLCUTLN-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1cnc2ccccc21 ZINC000000204745 180724966 /nfs/dbraw/zinc/72/49/66/180724966.db2.gz JHAMRUNAIBVEDT-GFCCVEGCSA-N 0 0 314.772 4.106 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222299 180731146 /nfs/dbraw/zinc/73/11/46/180731146.db2.gz VUGCORCDDCWGHS-SJORKVTESA-N 0 0 324.815 4.386 50 0 DIAARN CCc1ccc([C@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000000222812 180731148 /nfs/dbraw/zinc/73/11/48/180731148.db2.gz BQHRCBDCITXMDN-MSOLQXFVSA-N 0 0 322.387 4.126 50 0 DIAARN CC(=O)Nc1ccc(-c2nc3c(cc(Cl)cc3Cl)[nH]2)cc1 ZINC000000267560 180742991 /nfs/dbraw/zinc/74/29/91/180742991.db2.gz XFXGUUHXXQFRSA-UHFFFAOYSA-N 0 0 320.179 4.495 50 0 DIAARN Nc1c2cc3c(nc2sc1C(=O)c1ccccc1)CCCCC3 ZINC000000289610 180748680 /nfs/dbraw/zinc/74/86/80/180748680.db2.gz FFEJFZLYSMGADE-UHFFFAOYSA-N 0 0 322.433 4.378 50 0 DIAARN COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000000281601 180746992 /nfs/dbraw/zinc/74/69/92/180746992.db2.gz SMDPOEWVRDWPTR-LLVKDONJSA-N 0 0 321.829 4.468 50 0 DIAARN Clc1ccc(OCc2cn3ccccc3n2)c2ncccc12 ZINC000000312828 180756130 /nfs/dbraw/zinc/75/61/30/180756130.db2.gz GEGXYBHUAXCZKB-UHFFFAOYSA-N 0 0 309.756 4.115 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000000304685 180753653 /nfs/dbraw/zinc/75/36/53/180753653.db2.gz KHFIXHHKEXWCOT-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN O=C1c2ccccc2C(=O)N1Cc1ccsc1-c1ccccc1 ZINC000000339107 180761283 /nfs/dbraw/zinc/76/12/83/180761283.db2.gz YQMVGURCJRYUAU-UHFFFAOYSA-N 0 0 319.385 4.211 50 0 DIAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)CC(C)C)c1 ZINC000000317329 180757766 /nfs/dbraw/zinc/75/77/66/180757766.db2.gz LVEKVBAHRHRUIT-UHFFFAOYSA-N 0 0 310.397 4.232 50 0 DIAARN Cc1cc(C)cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000000371510 180769508 /nfs/dbraw/zinc/76/95/08/180769508.db2.gz OZTULMDLWXOYIZ-SNVBAGLBSA-N 0 0 300.427 4.137 50 0 DIAARN COc1ccc(C=O)cc1COc1cccc(C(F)(F)F)c1 ZINC000000373340 180769826 /nfs/dbraw/zinc/76/98/26/180769826.db2.gz WKJZHVKGLHYSKI-UHFFFAOYSA-N 0 0 310.271 4.106 50 0 DIAARN O=c1ccc2ccc(Oc3nnc(-c4ccccc4)s3)cc2o1 ZINC000000383920 180772966 /nfs/dbraw/zinc/77/29/66/180772966.db2.gz IZNIMTKBBZEYKX-UHFFFAOYSA-N 0 0 322.345 4.104 50 0 biogenic DIAARN Cc1cc(O[C@H](C)C(=O)NCc2ccccc2)cc(C)c1Cl ZINC000000352042 180764230 /nfs/dbraw/zinc/76/42/30/180764230.db2.gz DVSLGWIGMUAXIA-CQSZACIVSA-N 0 0 317.816 4.041 50 0 DIAARN CCN1C(=S)N(c2ccccc2)N[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000000355374 180765414 /nfs/dbraw/zinc/76/54/14/180765414.db2.gz FKKAFWOXELDWEF-KDOFPFPSSA-N 0 0 317.502 4.161 50 0 DIAARN Cc1cccc(C)c1NC(=O)COc1cccc2ccccc21 ZINC000000362410 180766961 /nfs/dbraw/zinc/76/69/61/180766961.db2.gz MCNGKGBXFQVPTQ-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(C)cc1 ZINC000000366682 180768189 /nfs/dbraw/zinc/76/81/89/180768189.db2.gz FMSLHNBVUVIBRO-UHFFFAOYSA-N 0 0 308.406 4.314 50 0 DIAARN Cc1c(Br)cccc1NC(=O)C1C(C)(C)C1(C)C ZINC000000409446 180779241 /nfs/dbraw/zinc/77/92/41/180779241.db2.gz IYVFXALQMGMSJQ-UHFFFAOYSA-N 0 0 310.235 4.378 50 0 DIAARN CCOc1ccccc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000000413627 180781281 /nfs/dbraw/zinc/78/12/81/180781281.db2.gz BQSKSLHQLYDYTG-UHFFFAOYSA-N 0 0 304.415 4.092 50 0 DIAARN Cc1csc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000000390144 180775224 /nfs/dbraw/zinc/77/52/24/180775224.db2.gz RXKKNMRPVHCDBC-UHFFFAOYSA-N 0 0 302.186 4.402 50 0 DIAARN Cc1cc(C(C)(C)C)cc(C)c1NC(=O)CN1CCCCC1 ZINC000000392609 180775634 /nfs/dbraw/zinc/77/56/34/180775634.db2.gz GYPUKXYCSKPOOT-UHFFFAOYSA-N 0 0 302.462 4.025 50 0 DIAARN CCOC(=O)[C@H](Nc1ccc(SC)cc1)c1ccccc1 ZINC000000394137 180776045 /nfs/dbraw/zinc/77/60/45/180776045.db2.gz VYZZNSVOPQBPCF-MRXNPFEDSA-N 0 0 301.411 4.125 50 0 DIAARN COc1c(Br)cc(Br)c2ccccc21 ZINC000000395138 180776498 /nfs/dbraw/zinc/77/64/98/180776498.db2.gz HNLGVRSNVMKQMJ-UHFFFAOYSA-N 0 0 315.992 4.373 50 0 DIAARN Cc1cccc(Cl)c1NC(=O)OCc1ccc2c(c1)OCO2 ZINC000000397329 180777006 /nfs/dbraw/zinc/77/70/06/180777006.db2.gz XWGPLOHZRPABBX-UHFFFAOYSA-N 0 0 319.744 4.126 50 0 DIAARN Cc1nc2c3ccccc3nc(SCc3ccc(F)cc3)n2n1 ZINC000000424906 180785749 /nfs/dbraw/zinc/78/57/49/180785749.db2.gz LOPPKCSYQUKSJF-UHFFFAOYSA-N 0 0 324.384 4.017 50 0 DIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425712 180785819 /nfs/dbraw/zinc/78/58/19/180785819.db2.gz RFJVRDWVGWPYAR-MRVPVSSYSA-N 0 0 313.184 4.177 50 0 DIAARN CC(C)(C)c1ccc(C(=O)NCCn2ccc3ccccc32)cc1 ZINC000000427853 180787305 /nfs/dbraw/zinc/78/73/05/180787305.db2.gz ZEUIPTJVKYTKAR-UHFFFAOYSA-N 0 0 320.436 4.369 50 0 DIAARN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OCC ZINC000000434365 180789744 /nfs/dbraw/zinc/78/97/44/180789744.db2.gz ROLMKINBQIFNBV-UHFFFAOYSA-N 0 0 313.397 4.353 50 0 DIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)c(C)c1 ZINC000000433799 180790137 /nfs/dbraw/zinc/79/01/37/180790137.db2.gz UZZDUTLFLZHYOV-UHFFFAOYSA-N 0 0 317.410 4.021 50 0 DIAARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000000465047 180799438 /nfs/dbraw/zinc/79/94/38/180799438.db2.gz NKFGRIBPQTWVQO-OAHLLOKOSA-N 0 0 313.397 4.108 50 0 DIAARN Cc1cccc(NCc2nc(-c3ccsc3)no2)c1Cl ZINC000072912856 191250727 /nfs/dbraw/zinc/25/07/27/191250727.db2.gz VLYWBFWZEDOZAA-UHFFFAOYSA-N 0 0 305.790 4.372 50 0 DIAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000000468136 180799996 /nfs/dbraw/zinc/79/99/96/180799996.db2.gz BHXFVGYXRBHLND-UHFFFAOYSA-N 0 0 316.788 4.331 50 0 DIAARN COC(=O)c1cn(C(=O)CCCc2ccccc2)c2ccccc12 ZINC000000467881 180800078 /nfs/dbraw/zinc/80/00/78/180800078.db2.gz VKKQANSPFSDRKU-UHFFFAOYSA-N 0 0 321.376 4.091 50 0 DIAARN CCOc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000000444135 180793058 /nfs/dbraw/zinc/79/30/58/180793058.db2.gz LJEDYEIKPWQRLE-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN CC(C)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000453974 180795877 /nfs/dbraw/zinc/79/58/77/180795877.db2.gz PKVGISMLAVOLOW-UHFFFAOYSA-N 0 0 320.392 4.352 50 0 DIAARN Cc1ccc(-c2nnc(OC[C@H]3CCCO3)c3ccccc32)cc1 ZINC000000472547 180801715 /nfs/dbraw/zinc/80/17/15/180801715.db2.gz VFCAAOBNOHGTKZ-MRXNPFEDSA-N 0 0 320.392 4.163 50 0 DIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl ZINC000000471697 180801759 /nfs/dbraw/zinc/80/17/59/180801759.db2.gz FHPPCURCUVGFFZ-LLVKDONJSA-N 0 0 324.207 4.077 50 0 DIAARN Cc1ccc(C)c([C@H](C)NC(=O)COc2ccccc2Cl)c1 ZINC000000474374 180802766 /nfs/dbraw/zinc/80/27/66/180802766.db2.gz VJCVDWXDKXFLEF-AWEZNQCLSA-N 0 0 317.816 4.213 50 0 DIAARN Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccccc2Cl)c1 ZINC000000474373 180802833 /nfs/dbraw/zinc/80/28/33/180802833.db2.gz VJCVDWXDKXFLEF-CQSZACIVSA-N 0 0 317.816 4.213 50 0 DIAARN Cc1ccccc1-c1nn2c(nnc2-c2ccccc2C)s1 ZINC000000529876 180814933 /nfs/dbraw/zinc/81/49/33/180814933.db2.gz RGCJGUAVFCWJRN-UHFFFAOYSA-N 0 0 306.394 4.137 50 0 DIAARN O=C(C[C@@H](c1ccco1)c1ccc(F)cc1)NCc1ccccc1 ZINC000000521112 180811839 /nfs/dbraw/zinc/81/18/39/180811839.db2.gz NEDXLYLHPZGKKX-GOSISDBHSA-N 0 0 323.367 4.257 50 0 DIAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1 ZINC000000523507 180812267 /nfs/dbraw/zinc/81/22/67/180812267.db2.gz ZPTUGBKZXNNZRX-UHFFFAOYSA-N 0 0 321.376 4.329 50 0 DIAARN O=C(NC[C@@H]1CCCO1)c1cc2sc3ccccc3c2s1 ZINC000000521929 180812474 /nfs/dbraw/zinc/81/24/74/180812474.db2.gz JAXPGUWEBUKIHN-JTQLQIEISA-N 0 0 317.435 4.025 50 0 DIAARN CCc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000579661 180825829 /nfs/dbraw/zinc/82/58/29/180825829.db2.gz JWERISHHGPDGRL-LBPRGKRZSA-N 0 0 303.789 4.308 50 0 DIAARN COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2C)cc1 ZINC000000559692 180821625 /nfs/dbraw/zinc/82/16/25/180821625.db2.gz YJEXHCJYJQAOPB-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccccc2)c1 ZINC000000802333 180833737 /nfs/dbraw/zinc/83/37/37/180833737.db2.gz KRQOERZXEMQIOW-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000000834859 180835987 /nfs/dbraw/zinc/83/59/87/180835987.db2.gz XARVZHVUTSPAGE-ZDUSSCGKSA-N 0 0 313.706 4.373 50 0 DIAARN Cc1ccc([C@H]2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 ZINC000001016605 180841249 /nfs/dbraw/zinc/84/12/49/180841249.db2.gz PGJFNBYODRCHKH-RBBKRZOGSA-N 0 0 314.384 4.211 50 0 DIAARN Cc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000001071037 180845194 /nfs/dbraw/zinc/84/51/94/180845194.db2.gz UUVNFXBPCGJPJW-KRWDZBQOSA-N 0 0 311.454 4.314 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000001117011 180847323 /nfs/dbraw/zinc/84/73/23/180847323.db2.gz IAVKDNBBQBZHED-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN COc1c(Cl)cc(C(=O)Oc2ccc(F)cc2)cc1Cl ZINC000001121347 180847340 /nfs/dbraw/zinc/84/73/40/180847340.db2.gz MJSZHPKPBNORTK-UHFFFAOYSA-N 0 0 315.127 4.360 50 0 DIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000001188826 180849317 /nfs/dbraw/zinc/84/93/17/180849317.db2.gz DTFLPXXUBDQAKE-HXUWFJFHSA-N 0 0 301.389 4.400 50 0 DIAARN O=C1S/C(=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 ZINC000001195961 180849448 /nfs/dbraw/zinc/84/94/48/180849448.db2.gz KUCQDHZGPVWLJE-XYOKQWHBSA-N 0 0 305.742 4.174 50 0 DIAARN CC(C)(C)NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001217680 180849733 /nfs/dbraw/zinc/84/97/33/180849733.db2.gz ARPCREHYUZELIB-UHFFFAOYSA-N 0 0 322.202 4.237 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001218454 180850014 /nfs/dbraw/zinc/85/00/14/180850014.db2.gz FMOVXTUKWUSUDT-SNVBAGLBSA-N 0 0 310.180 4.399 50 0 DIAARN O=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc(Cl)c1 ZINC000001397697 180860892 /nfs/dbraw/zinc/86/08/92/180860892.db2.gz JEDYBQDMWCAHPI-CQSZACIVSA-N 0 0 319.191 4.001 50 0 DIAARN CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1 ZINC000001406829 180863183 /nfs/dbraw/zinc/86/31/83/180863183.db2.gz JSLCGLDYCFQAPJ-UHFFFAOYSA-N 0 0 310.825 4.151 50 0 DIAARN CC(=O)Nc1ccc(Oc2nc3ccccc3n3cccc23)cc1 ZINC000001382870 180857396 /nfs/dbraw/zinc/85/73/96/180857396.db2.gz BWUAYZBYYVAOCG-UHFFFAOYSA-N 0 0 317.348 4.238 50 0 DIAARN COc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000001753326 180894020 /nfs/dbraw/zinc/89/40/20/180894020.db2.gz PQBPCGAHPKGZAK-UHFFFAOYSA-N 0 0 310.275 4.358 50 0 DIAARN Cc1ccc(C2=C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000001826966 180897586 /nfs/dbraw/zinc/89/75/86/180897586.db2.gz XRYVXIKZEMMXSN-INIZCTEOSA-N 0 0 323.787 4.288 50 0 DIAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1 ZINC000001851434 180898545 /nfs/dbraw/zinc/89/85/45/180898545.db2.gz OUYQJFKJIPSUCO-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CCOCCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001912259 180901447 /nfs/dbraw/zinc/90/14/47/180901447.db2.gz WPVKMNDUYSXNLN-UHFFFAOYSA-N 0 0 307.397 4.135 50 0 DIAARN CCCCc1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000002302066 180918496 /nfs/dbraw/zinc/91/84/96/180918496.db2.gz LJWQORQORPAFEW-UHFFFAOYSA-N 0 0 318.467 4.218 50 0 DIAARN Cc1ccc2c(-c3oc4ccccc4c3N)cc(=O)oc2c1C ZINC000002128417 180911758 /nfs/dbraw/zinc/91/17/58/180911758.db2.gz ZADGGWGKTTXYAC-UHFFFAOYSA-N 0 0 305.333 4.405 50 0 biogenic DIAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000002449363 180924260 /nfs/dbraw/zinc/92/42/60/180924260.db2.gz QRKVRQLQFULLMM-UHFFFAOYSA-N 0 0 313.401 4.396 50 0 DIAARN CC(C)CCOC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002493584 180927370 /nfs/dbraw/zinc/92/73/70/180927370.db2.gz XCQSEATZXKQYEI-MRXNPFEDSA-N 0 0 311.425 4.218 50 0 DIAARN COc1ccc([C@@H](C)n2c(C)c3c(c2C)c(C)nnc3C)cc1 ZINC000002339277 180920301 /nfs/dbraw/zinc/92/03/01/180920301.db2.gz HCJFDHHBUCXINJ-CYBMUJFWSA-N 0 0 309.413 4.283 50 0 DIAARN CCOC(=O)c1ccccc1C(=O)CCc1cccc(C)c1C ZINC000002517429 180930686 /nfs/dbraw/zinc/93/06/86/180930686.db2.gz UKGQAFKMICXSFA-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN CC1(C)COC(CCCCC(=O)c2cc(F)cc(F)c2)OC1 ZINC000002518088 180931331 /nfs/dbraw/zinc/93/13/31/180931331.db2.gz HEYVIMUNUXVRDS-UHFFFAOYSA-N 0 0 312.356 4.107 50 0 DIAARN CCOC(=O)CCCCC(=O)c1cc(Cl)ccc1Cl ZINC000002580345 180937124 /nfs/dbraw/zinc/93/71/24/180937124.db2.gz DNMXJTDHCXJDOI-UHFFFAOYSA-N 0 0 303.185 4.300 50 0 DIAARN Nc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1 ZINC000002541322 180933387 /nfs/dbraw/zinc/93/33/87/180933387.db2.gz ZMVAVUAHKPGYTF-UHFFFAOYSA-N 0 0 308.019 4.069 50 0 DIAARN COc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000002654364 180945038 /nfs/dbraw/zinc/94/50/38/180945038.db2.gz BSXVEBVVUZJADG-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN Cc1cccc(C2(NC(=O)c3ccncc3Cl)CCCC2)c1 ZINC000073074485 191276199 /nfs/dbraw/zinc/27/61/99/191276199.db2.gz OULJJNXHSNNDHC-UHFFFAOYSA-N 0 0 314.816 4.243 50 0 DIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1C ZINC000002790501 180958085 /nfs/dbraw/zinc/95/80/85/180958085.db2.gz KPFPNYRLKPEKPF-UHFFFAOYSA-N 0 0 317.410 4.102 50 0 DIAARN Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1 ZINC000002928345 180970664 /nfs/dbraw/zinc/97/06/64/180970664.db2.gz MFZSULJTWNSMCV-UHFFFAOYSA-N 0 0 304.393 4.275 50 0 aggregator DIAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000002929590 180970826 /nfs/dbraw/zinc/97/08/26/180970826.db2.gz KKFWBRRSAPHQMG-UHFFFAOYSA-N 0 0 324.424 4.328 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000002934214 180970990 /nfs/dbraw/zinc/97/09/90/180970990.db2.gz PSXBNSCQEGJPNS-UHFFFAOYSA-N 0 0 302.377 4.233 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002886579 180967765 /nfs/dbraw/zinc/96/77/65/180967765.db2.gz DKBSHNBBNVRQRP-LLVKDONJSA-N 0 0 307.752 4.194 50 0 DIAARN C[C@H](NC(=O)CSc1cccc2cccnc21)c1ccccc1 ZINC000003066111 180979585 /nfs/dbraw/zinc/97/95/85/180979585.db2.gz AGJIVQCZKLGXSI-AWEZNQCLSA-N 0 0 322.433 4.204 50 0 DIAARN COc1cccc(OC)c1OCCOc1ccc2ccccc2c1 ZINC000002983899 180973987 /nfs/dbraw/zinc/97/39/87/180973987.db2.gz OBBHXOMDJLSJLJ-UHFFFAOYSA-N 0 0 324.376 4.315 50 0 DIAARN O=C([O-])CCCCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000003026188 180978192 /nfs/dbraw/zinc/97/81/92/180978192.db2.gz IQQLUGSXFAGGHN-UHFFFAOYSA-N 0 0 313.397 4.214 50 0 DIAARN CC(C)OC(=O)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000003138929 180984815 /nfs/dbraw/zinc/98/48/15/180984815.db2.gz RVBRGHXSSVCIBI-JTQLQIEISA-N 0 0 310.608 4.233 50 0 DIAARN O=C(CCSc1ccccc1)NCCSc1ccccc1 ZINC000003104385 180981462 /nfs/dbraw/zinc/98/14/62/180981462.db2.gz IMBYOJGYIGVRRL-UHFFFAOYSA-N 0 0 317.479 4.077 50 0 DIAARN CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 ZINC000003209591 180991601 /nfs/dbraw/zinc/99/16/01/180991601.db2.gz IDZUQOVMODXBHW-UHFFFAOYSA-N 0 0 318.398 4.410 50 0 DIAARN O=C(Nc1ncc(Cl)cc1Cl)c1c(F)cccc1Cl ZINC000003236025 180994658 /nfs/dbraw/zinc/99/46/58/180994658.db2.gz KTWIROBCIXTJJZ-UHFFFAOYSA-N 0 0 319.550 4.433 50 0 DIAARN CC(=O)c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003249144 180996121 /nfs/dbraw/zinc/99/61/21/180996121.db2.gz LHSGOALMBTXDJU-UHFFFAOYSA-N 0 0 322.191 4.377 50 0 DIAARN COc1ccc(-c2csc(NCc3ccco3)n2)c(OC)c1 ZINC000003325107 181005450 /nfs/dbraw/zinc/00/54/50/181005450.db2.gz SKJVDDBBKSYPDU-UHFFFAOYSA-N 0 0 316.382 4.032 50 0 DIAARN Cc1cccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)c1C ZINC000003326718 181005506 /nfs/dbraw/zinc/00/55/06/181005506.db2.gz UTJRDDJOBNLNFR-UHFFFAOYSA-N 0 0 316.832 4.027 50 0 DIAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1N ZINC000003278071 180999703 /nfs/dbraw/zinc/99/97/03/180999703.db2.gz BJLLLDCVKCNFQN-UHFFFAOYSA-N 0 0 316.209 4.481 50 0 DIAARN CN(C)[C@@H](Cc1cccc2ccccc21)C(=O)c1ccccc1 ZINC000003282643 181000273 /nfs/dbraw/zinc/00/02/73/181000273.db2.gz VXUNQMTYCBKKNH-FQEVSTJZSA-N 0 0 303.405 4.195 50 0 DIAARN COc1ccc(C(=O)Oc2cc(C)cc(C(C)C)c2)cc1OC ZINC000003291765 181000898 /nfs/dbraw/zinc/00/08/98/181000898.db2.gz SNLRWCWTRMPJFD-UHFFFAOYSA-N 0 0 314.381 4.355 50 0 DIAARN O=C(O[C@H]1CCCCC1=O)c1sc2ccccc2c1Cl ZINC000003303475 181002409 /nfs/dbraw/zinc/00/24/09/181002409.db2.gz UYJGGHRJUFQDPC-NSHDSACASA-N 0 0 308.786 4.223 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000003303624 181002461 /nfs/dbraw/zinc/00/24/61/181002461.db2.gz SCDBWROCPZMOJV-GWCFXTLKSA-N 0 0 314.401 4.153 50 0 DIAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1 ZINC000003314802 181003538 /nfs/dbraw/zinc/00/35/38/181003538.db2.gz MQERDKUCOUHTGY-UHFFFAOYSA-N 0 0 303.361 4.371 50 0 DIAARN CCOc1ccccc1COC(=O)c1cc(C)nc2ccccc21 ZINC000003366976 181011992 /nfs/dbraw/zinc/01/19/92/181011992.db2.gz LQBYEZGFFDYYMO-UHFFFAOYSA-N 0 0 321.376 4.299 50 0 DIAARN CC(C)Oc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003373187 181012883 /nfs/dbraw/zinc/01/28/83/181012883.db2.gz AROMFYUZCXOHMV-LJQANCHMSA-N 0 0 309.409 4.281 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 ZINC000003382467 181013326 /nfs/dbraw/zinc/01/33/26/181013326.db2.gz VKUPLRSOXZKKPR-SNVBAGLBSA-N 0 0 310.180 4.399 50 0 DIAARN Cc1cc(C)cc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000003378316 181013349 /nfs/dbraw/zinc/01/33/49/181013349.db2.gz HFHGBDHIEYXSOJ-UHFFFAOYSA-N 0 0 308.786 4.058 50 0 DIAARN Nc1nc(-c2cc(Cl)cc(Cl)c2OC(F)F)cs1 ZINC000003379437 181013792 /nfs/dbraw/zinc/01/37/92/181013792.db2.gz FFFWCZZXPIWJDM-UHFFFAOYSA-N 0 0 311.140 4.301 50 0 DIAARN CCN(CC)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000003330933 181006641 /nfs/dbraw/zinc/00/66/41/181006641.db2.gz HZVSRNGHFNBMFX-UHFFFAOYSA-N 0 0 308.425 4.203 50 0 DIAARN CCNC(=S)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000003332300 181007138 /nfs/dbraw/zinc/00/71/38/181007138.db2.gz RHJGIVJOMXKYFA-UHFFFAOYSA-N 0 0 316.270 4.031 50 0 DIAARN Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000003336848 181007507 /nfs/dbraw/zinc/00/75/07/181007507.db2.gz BNCBGONBJJILJV-ZETCQYMHSA-N 0 0 313.184 4.089 50 0 DIAARN Cc1cc(C)c(C(=O)COC(=O)c2cccc(C)c2C)c(C)c1 ZINC000003340921 181008623 /nfs/dbraw/zinc/00/86/23/181008623.db2.gz VWHBBOQUEHVDCM-UHFFFAOYSA-N 0 0 310.393 4.268 50 0 DIAARN CCOc1ncccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000003347534 181009705 /nfs/dbraw/zinc/00/97/05/181009705.db2.gz FVVCCSSDQGJILG-UHFFFAOYSA-N 0 0 318.376 4.400 50 0 DIAARN Cc1cccc(NC(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000003359282 181011089 /nfs/dbraw/zinc/01/10/89/181011089.db2.gz WJMJVYWOKHUOKD-UHFFFAOYSA-N 0 0 318.804 4.191 50 0 DIAARN COc1ccc2c(CC(=O)Nc3ccccc3Cl)coc2c1 ZINC000003452703 181022116 /nfs/dbraw/zinc/02/21/16/181022116.db2.gz AHEHZRNVSGLSKD-UHFFFAOYSA-N 0 0 315.756 4.276 50 0 DIAARN Cc1ccc(C)c(C(=O)COc2cccc3c2OC(C)(C)C3)c1 ZINC000003451720 181022428 /nfs/dbraw/zinc/02/24/28/181022428.db2.gz NQQMOAKJLRYQKY-UHFFFAOYSA-N 0 0 310.393 4.279 50 0 DIAARN Cc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1 ZINC000003410852 181016615 /nfs/dbraw/zinc/01/66/15/181016615.db2.gz RNZAMNSKXGQZEJ-UHFFFAOYSA-N 0 0 314.435 4.336 50 0 DIAARN C[C@H]1CCc2c(C(=O)NCc3ccc(Cl)cc3)csc2C1 ZINC000003417846 181016844 /nfs/dbraw/zinc/01/68/44/181016844.db2.gz HIQFHWFTTIXHCA-NSHDSACASA-N 0 0 319.857 4.456 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000003427766 181018139 /nfs/dbraw/zinc/01/81/39/181018139.db2.gz JBLNSDWTKKNKEU-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CSCc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000003438710 181019730 /nfs/dbraw/zinc/01/97/30/181019730.db2.gz HZMQYWILCQJTQO-UHFFFAOYSA-N 0 0 319.857 4.176 50 0 DIAARN C[C@@H](Nc1ccccc1-c1ccccc1)C(=O)N1CCC[C@H](C)C1 ZINC000003435359 181019740 /nfs/dbraw/zinc/01/97/40/181019740.db2.gz FAGNHOOULOGNLN-DLBZAZTESA-N 0 0 322.452 4.413 50 0 DIAARN CC1CCN(Cc2nc3sc4c(c3c(Cl)n2)CCC4)CC1 ZINC000003445980 181020992 /nfs/dbraw/zinc/02/09/92/181020992.db2.gz DXAIMXMFLYCVIN-UHFFFAOYSA-N 0 0 321.877 4.065 50 0 DIAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)C1CCCC1 ZINC000003448273 181021407 /nfs/dbraw/zinc/02/14/07/181021407.db2.gz SWTCKCUTZKUNGF-UHFFFAOYSA-N 0 0 308.353 4.217 50 0 DIAARN COc1cccc(CSc2nnc(-c3cccs3)o2)c1 ZINC000003449308 181021489 /nfs/dbraw/zinc/02/14/89/181021489.db2.gz HCUCYMMZSICDNN-UHFFFAOYSA-N 0 0 304.396 4.099 50 0 DIAARN CCN(CC)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003460001 181022964 /nfs/dbraw/zinc/02/29/64/181022964.db2.gz DDJXJMINBHIBBL-HXUWFJFHSA-N 0 0 322.452 4.340 50 0 DIAARN CCCNC(=O)c1sc2c(ccc(OC)c2Cl)c1Cl ZINC000003463457 181023531 /nfs/dbraw/zinc/02/35/31/181023531.db2.gz AYWVIOZTBBAKDK-UHFFFAOYSA-N 0 0 318.225 4.357 50 0 DIAARN CCOc1ccccc1NC(=O)Cc1coc2cc(C)ccc12 ZINC000003472567 181024170 /nfs/dbraw/zinc/02/41/70/181024170.db2.gz GBITXDIVDCYZIF-UHFFFAOYSA-N 0 0 309.365 4.321 50 0 DIAARN Cc1ccc(C(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)cc1 ZINC000003489468 181025763 /nfs/dbraw/zinc/02/57/63/181025763.db2.gz KGWSLDSMBBYWCQ-CYBMUJFWSA-N 0 0 314.406 4.130 50 0 DIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1 ZINC000003503911 181027036 /nfs/dbraw/zinc/02/70/36/181027036.db2.gz NEKYXLXHAGVURF-LLVKDONJSA-N 0 0 314.435 4.416 50 0 DIAARN Clc1ccc(CSc2nnc3ccccn32)c(Cl)c1 ZINC000003505609 181027525 /nfs/dbraw/zinc/02/75/25/181027525.db2.gz YCKHCNYHZOSWGK-UHFFFAOYSA-N 0 0 310.209 4.328 50 0 DIAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c(C)c1 ZINC000003536968 181031142 /nfs/dbraw/zinc/03/11/42/181031142.db2.gz GDAHMTDTBPXSDF-INIZCTEOSA-N 0 0 308.425 4.002 50 0 DIAARN COc1ccc(C)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000003567280 181035771 /nfs/dbraw/zinc/03/57/71/181035771.db2.gz WHWBNCIYNBIGJE-UHFFFAOYSA-N 0 0 323.314 4.204 50 0 DIAARN CSc1ncccc1C(=O)Nc1c(C)cccc1C(C)C ZINC000003592104 181037926 /nfs/dbraw/zinc/03/79/26/181037926.db2.gz STRMBRAZWNXOEV-UHFFFAOYSA-N 0 0 300.427 4.488 50 0 DIAARN COc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000003597870 181038605 /nfs/dbraw/zinc/03/86/05/181038605.db2.gz UMTQPPJBYSKVCE-UHFFFAOYSA-N 0 0 309.337 4.262 50 0 DIAARN O=C(CSc1nc2ccccc2o1)Nc1cccc(Cl)c1 ZINC000003618911 181042282 /nfs/dbraw/zinc/04/22/82/181042282.db2.gz ONAJHQDFGMTWPC-UHFFFAOYSA-N 0 0 318.785 4.212 50 0 DIAARN C[C@@H](CCc1cn(C)c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000003765551 181045342 /nfs/dbraw/zinc/04/53/42/181045342.db2.gz ZUSZNIIMNTUODO-AWEZNQCLSA-N 0 0 324.399 4.069 50 0 DIAARN O=C(Cc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 ZINC000003609134 181040241 /nfs/dbraw/zinc/04/02/41/181040241.db2.gz KQFUPKJXTRLWPT-UHFFFAOYSA-N 0 0 319.379 4.274 50 0 DIAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000003611832 181040584 /nfs/dbraw/zinc/04/05/84/181040584.db2.gz RLTGBAMCDGCNAW-LLVKDONJSA-N 0 0 307.752 4.194 50 0 DIAARN CCOc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 ZINC000003877327 181051513 /nfs/dbraw/zinc/05/15/13/181051513.db2.gz KAXKPYUNIVGKIF-UHFFFAOYSA-N 0 0 314.410 4.133 50 0 DIAARN Cc1cc(=O)oc2cc(OCc3ccccc3Cl)ccc12 ZINC000003892429 181053072 /nfs/dbraw/zinc/05/30/72/181053072.db2.gz SLXKQTLPMAJBHP-UHFFFAOYSA-N 0 0 300.741 4.334 50 0 DIAARN Fc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 ZINC000003896477 181053647 /nfs/dbraw/zinc/05/36/47/181053647.db2.gz CECLWINCPAKRSB-UHFFFAOYSA-N 0 0 310.376 4.280 50 0 DIAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCCCCC1 ZINC000003907664 181055725 /nfs/dbraw/zinc/05/57/25/181055725.db2.gz NPALUVKHMAHNNO-UHFFFAOYSA-N 0 0 304.777 4.011 50 0 DIAARN Cc1cc(C)cc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000003833365 181047623 /nfs/dbraw/zinc/04/76/23/181047623.db2.gz OYFFAVDIQJLJJZ-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN CCCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1O ZINC000004026262 181063469 /nfs/dbraw/zinc/06/34/69/181063469.db2.gz YXTVXWTULRQUEF-UHFFFAOYSA-N 0 0 310.349 4.222 50 0 biogenic DIAARN CCNc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000004024752 181063624 /nfs/dbraw/zinc/06/36/24/181063624.db2.gz ZCWBXCBJNOWQBN-UHFFFAOYSA-N 0 0 303.768 4.309 50 0 DIAARN CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(Nc2ccccc2C)NC1=O ZINC000004030122 181064262 /nfs/dbraw/zinc/06/42/62/181064262.db2.gz XJHFBIBKHDBWKF-CYBMUJFWSA-N 0 0 315.417 4.092 50 0 DIAARN CCOc1ccc(-c2cc3ccccc3oc2=O)cc1OCC ZINC000004042792 181066949 /nfs/dbraw/zinc/06/69/49/181066949.db2.gz XLPKQVWKKUFLNL-UHFFFAOYSA-N 0 0 310.349 4.257 50 0 biogenic DIAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1cc[nH]n1 ZINC000004002799 181061209 /nfs/dbraw/zinc/06/12/09/181061209.db2.gz MCZMSSSDSPOYGI-ZCFIWIBFSA-N 0 0 307.728 4.330 50 0 DIAARN Clc1ccc2nc(-c3ccc(Br)s3)cn2c1 ZINC000004003185 181061363 /nfs/dbraw/zinc/06/13/63/181061363.db2.gz CFGPYJKNIUPURR-UHFFFAOYSA-N 0 0 313.607 4.479 50 0 aggregator DIAARN Cc1ccc(C)c(COc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000004086350 181070937 /nfs/dbraw/zinc/07/09/37/181070937.db2.gz IAQMEDMHWKBSDP-UHFFFAOYSA-N 0 0 320.388 4.478 50 0 DIAARN Cc1cccc(-c2nnc(NC(=O)CCc3ccccc3)s2)c1 ZINC000004087692 181071018 /nfs/dbraw/zinc/07/10/18/181071018.db2.gz KDXPJCZAWHCJGV-UHFFFAOYSA-N 0 0 323.421 4.085 50 0 DIAARN CSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1 ZINC000004091932 181072211 /nfs/dbraw/zinc/07/22/11/181072211.db2.gz YTESSBCNMNDZIN-UHFFFAOYSA-N 0 0 300.408 4.286 50 0 DIAARN C[C@@H]1CC[C@H](OC(=O)NC(C(F)(F)F)C(F)(F)F)C[C@@H]1C ZINC000004099922 181073529 /nfs/dbraw/zinc/07/35/29/181073529.db2.gz SZSOGTRGOFUSDT-CSMHCCOUSA-N 0 0 321.261 4.031 50 0 DIAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccn2)N3)C1 ZINC000004108145 181074250 /nfs/dbraw/zinc/07/42/50/181074250.db2.gz SSJSLAWCQXIKDK-BONVTDFDSA-N 0 0 313.426 4.087 50 0 DIAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccn2)N3)C1 ZINC000004108151 181074313 /nfs/dbraw/zinc/07/43/13/181074313.db2.gz SSJSLAWCQXIKDK-ZUZCIYMTSA-N 0 0 313.426 4.087 50 0 DIAARN CC[C@H](C(=O)NCc1ccc2c(cc(C)n2C)c1)c1ccccc1 ZINC000004061566 181068260 /nfs/dbraw/zinc/06/82/60/181068260.db2.gz PDXJGNMXYQMLKI-IBGZPJMESA-N 0 0 320.436 4.297 50 0 DIAARN O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccccc1Cl ZINC000004060017 181068296 /nfs/dbraw/zinc/06/82/96/181068296.db2.gz WNRYAVFIIOQNJU-ZHACJKMWSA-N 0 0 322.795 4.115 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(Br)cc2F)c1 ZINC000004070170 181068894 /nfs/dbraw/zinc/06/88/94/181068894.db2.gz AKTOSPPPJQBMMI-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN CC(C)CC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000004063021 181068931 /nfs/dbraw/zinc/06/89/31/181068931.db2.gz PPWNGKNAPBJSDD-UHFFFAOYSA-N 0 0 311.410 4.343 50 0 DIAARN O=C(NCc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000004174568 181081659 /nfs/dbraw/zinc/08/16/59/181081659.db2.gz LDSUASYLBNOUFL-UHFFFAOYSA-N 0 0 318.848 4.108 50 0 DIAARN COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1OC ZINC000004123962 181076579 /nfs/dbraw/zinc/07/65/79/181076579.db2.gz HIEUKZAEHOYREI-ZRDIBKRKSA-N 0 0 307.349 4.128 50 0 DIAARN CCCN(CCC)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000004134948 181077054 /nfs/dbraw/zinc/07/70/54/181077054.db2.gz RXXSOEWALXTDFS-UHFFFAOYSA-N 0 0 302.390 4.107 50 0 DIAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C1CCCCC1 ZINC000004138170 181077804 /nfs/dbraw/zinc/07/78/04/181077804.db2.gz LWCYZXBYZAYLLW-UHFFFAOYSA-N 0 0 310.441 4.243 50 0 DIAARN COc1ccc(C)c2sc(N3CCc4ccccc4C3)nc21 ZINC000004137895 181078018 /nfs/dbraw/zinc/07/80/18/181078018.db2.gz KTKILFPZYUZLLO-UHFFFAOYSA-N 0 0 310.422 4.176 50 0 DIAARN Cc1ccc(CSc2ncc(CO)n2Cc2ccccc2)cc1 ZINC000004158343 181079427 /nfs/dbraw/zinc/07/94/27/181079427.db2.gz JTXDSSRJDRLTCJ-UHFFFAOYSA-N 0 0 324.449 4.024 50 0 DIAARN O=C(CSc1nc(-c2ccccc2)ns1)c1ccccc1 ZINC000004167311 181081185 /nfs/dbraw/zinc/08/11/85/181081185.db2.gz NYRIXNYHQYURQS-UHFFFAOYSA-N 0 0 312.419 4.180 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C ZINC000004185573 181083068 /nfs/dbraw/zinc/08/30/68/181083068.db2.gz KUJBNEHZPLWFTD-MSOLQXFVSA-N 0 0 319.832 4.372 50 0 DIAARN Oc1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000004226215 181086116 /nfs/dbraw/zinc/08/61/16/181086116.db2.gz UJLCVEGIZYTCFZ-UHFFFAOYSA-N 0 0 305.259 4.098 50 0 DIAARN Cc1c2ccccc2oc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000004291709 181093737 /nfs/dbraw/zinc/09/37/37/181093737.db2.gz DJYWZQSUYFNGIL-UHFFFAOYSA-N 0 0 312.394 4.329 50 0 DIAARN CCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004262920 181089754 /nfs/dbraw/zinc/08/97/54/181089754.db2.gz KPLXQTZYWXBIMU-UHFFFAOYSA-N 0 0 314.429 4.176 50 0 DIAARN Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 ZINC000004275567 181090665 /nfs/dbraw/zinc/09/06/65/181090665.db2.gz FITDEXMDUPKSTR-MRXNPFEDSA-N 0 0 320.348 4.173 50 0 DIAARN Clc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 ZINC000004271847 181090668 /nfs/dbraw/zinc/09/06/68/181090668.db2.gz OKAIJRKZDRYXMO-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN COc1ccc(-c2nnc(SCc3ccccc3C)o2)cc1 ZINC000004288485 181093112 /nfs/dbraw/zinc/09/31/12/181093112.db2.gz CPMMOWSQRJFMOA-UHFFFAOYSA-N 0 0 312.394 4.346 50 0 DIAARN Cc1c2nc(NC(=O)Cc3ccccc3)sc2ccc1Cl ZINC000004325427 181097751 /nfs/dbraw/zinc/09/77/51/181097751.db2.gz HKGJBVDCGOKEOT-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 DIAARN O=C(Sc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000004324205 181098197 /nfs/dbraw/zinc/09/81/97/181098197.db2.gz ZCUUXEHONKWJQR-UHFFFAOYSA-N 0 0 318.707 4.081 50 0 DIAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000004330845 181098509 /nfs/dbraw/zinc/09/85/09/181098509.db2.gz UDJONPPUYWKPHL-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000004342859 181100576 /nfs/dbraw/zinc/10/05/76/181100576.db2.gz BXAPVIJCWBXDDM-UHFFFAOYSA-N 0 0 303.287 4.140 50 0 DIAARN COc1ccccc1-c1ccc(SCc2ccccc2)nn1 ZINC000004356121 181101775 /nfs/dbraw/zinc/10/17/75/181101775.db2.gz XLBOLRVLCGGOCP-UHFFFAOYSA-N 0 0 308.406 4.445 50 0 DIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F ZINC000004309484 181096158 /nfs/dbraw/zinc/09/61/58/181096158.db2.gz FXHPOENPCCODRV-UHFFFAOYSA-N 0 0 323.358 4.404 50 0 DIAARN Cc1noc(C)c1COC(=O)c1ccccc1-c1ccccc1 ZINC000004415060 181108406 /nfs/dbraw/zinc/10/84/06/181108406.db2.gz LBZPJNOXYZWYSN-UHFFFAOYSA-N 0 0 307.349 4.315 50 0 DIAARN O=C(Oc1ccc2ccccc2c1)c1cc2ccccc2oc1=O ZINC000004426530 181109433 /nfs/dbraw/zinc/10/94/33/181109433.db2.gz IMXHBXKFFSSJEM-UHFFFAOYSA-N 0 0 316.312 4.165 50 0 DIAARN Cc1ccccc1NC(=O)N1CCS[C@@H]1c1cccc(F)c1 ZINC000004455273 181110452 /nfs/dbraw/zinc/11/04/52/181110452.db2.gz FPXARWYHVYYGAY-MRXNPFEDSA-N 0 0 316.401 4.414 50 0 DIAARN COc1cc(C)c2c(c1)CC[C@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000004369890 181103006 /nfs/dbraw/zinc/10/30/06/181103006.db2.gz GEIYLFMTMKRVAC-GJNTUIEKSA-N 0 0 300.442 4.221 50 0 DIAARN CCCC(=O)Nc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 ZINC000004385363 181105217 /nfs/dbraw/zinc/10/52/17/181105217.db2.gz CADNDPBIHNRIOH-UHFFFAOYSA-N 0 0 319.430 4.020 50 0 DIAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000004386865 181105638 /nfs/dbraw/zinc/10/56/38/181105638.db2.gz RLQFODRUFQHPTH-IBGZPJMESA-N 0 0 322.408 4.275 50 0 DIAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CCCO1 ZINC000004386866 181105852 /nfs/dbraw/zinc/10/58/52/181105852.db2.gz RLQFODRUFQHPTH-LJQANCHMSA-N 0 0 322.408 4.275 50 0 DIAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCCC1 ZINC000004386756 181106011 /nfs/dbraw/zinc/10/60/11/181106011.db2.gz GQDZKEXKNMCXGZ-UHFFFAOYSA-N 0 0 305.381 4.359 50 0 DIAARN O=C1CCc2ccc(cc2)CCCCc2ccc(cc2)CC[C@@H]1O ZINC000004530412 181120381 /nfs/dbraw/zinc/12/03/81/181120381.db2.gz VQKMEOFHSBVSJM-NRFANRHFSA-N 0 0 322.448 4.061 50 0 DIAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1 ZINC000004525648 181120499 /nfs/dbraw/zinc/12/04/99/181120499.db2.gz AKWJJXNUHUZOCZ-OCIHQYEZSA-N 0 0 324.449 4.068 50 0 DIAARN Clc1ccc([C@H](Sc2nc[nH]n2)c2ccccc2)cc1 ZINC000004535122 181120830 /nfs/dbraw/zinc/12/08/30/181120830.db2.gz DKVZHYLLZHNTIL-CQSZACIVSA-N 0 0 301.802 4.340 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2ccccc2C)c1Cl ZINC000004542735 181122464 /nfs/dbraw/zinc/12/24/64/181122464.db2.gz OAJKWAYDALDZJB-ZHACJKMWSA-N 0 0 301.773 4.309 50 0 DIAARN COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000004458712 181110918 /nfs/dbraw/zinc/11/09/18/181110918.db2.gz QIOJWTJKSACZQN-IBGZPJMESA-N 0 0 305.381 4.148 50 0 DIAARN O=C(Nc1cccc2c1-c1ccccc1C2=O)C1CCCCC1 ZINC000004492450 181114346 /nfs/dbraw/zinc/11/43/46/181114346.db2.gz AMDRBJBWTQFZSU-UHFFFAOYSA-N 0 0 305.377 4.417 50 0 DIAARN O=C(/C=C/c1ccccc1)N1CCS[C@H]1c1ccc(F)cc1 ZINC000004489654 181114412 /nfs/dbraw/zinc/11/44/12/181114412.db2.gz DEOIYWFMEDYBSX-QKIXSCASSA-N 0 0 313.397 4.113 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C)o1 ZINC000004492443 181114500 /nfs/dbraw/zinc/11/45/00/181114500.db2.gz YKIPYXONFJLDLW-PGBRGIIUSA-N 0 0 301.430 4.231 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 ZINC000004496566 181115161 /nfs/dbraw/zinc/11/51/61/181115161.db2.gz WWTZUSPHTGIYAE-UHFFFAOYSA-N 0 0 324.858 4.016 50 0 DIAARN O=C(CSc1ccccc1)Nc1nc2c(cccc2F)s1 ZINC000004496688 181115238 /nfs/dbraw/zinc/11/52/38/181115238.db2.gz GQJNOAPPWCWPGS-UHFFFAOYSA-N 0 0 318.398 4.166 50 0 DIAARN Cc1nc2cc(NC(=O)CSc3ccccc3)ccc2s1 ZINC000004496627 181115264 /nfs/dbraw/zinc/11/52/64/181115264.db2.gz PZLYFOVZJKMXAK-UHFFFAOYSA-N 0 0 314.435 4.336 50 0 DIAARN c1ccc(-c2nnc(COc3cccc4ccccc43)o2)cc1 ZINC000004511502 181117754 /nfs/dbraw/zinc/11/77/54/181117754.db2.gz XCWPATDNISUWSV-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN CSc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000004517586 181118724 /nfs/dbraw/zinc/11/87/24/181118724.db2.gz ZYPVTMOYWAAFQM-JTQLQIEISA-N 0 0 318.467 4.242 50 0 DIAARN COc1c(Cl)cc(C(=O)Nc2ncc(C)s2)cc1Cl ZINC000004520047 181118868 /nfs/dbraw/zinc/11/88/68/181118868.db2.gz USPZKPAKWAJKEJ-UHFFFAOYSA-N 0 0 317.197 4.019 50 0 DIAARN CC(C)c1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 ZINC000004558821 181124827 /nfs/dbraw/zinc/12/48/27/181124827.db2.gz JRULJXYAUZWXJW-UHFFFAOYSA-N 0 0 316.213 4.221 50 0 DIAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1 ZINC000004588341 181127199 /nfs/dbraw/zinc/12/71/99/181127199.db2.gz CVMZVAJZGJCDDK-ATVHPVEESA-N 0 0 323.367 4.468 50 0 DIAARN CCSc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 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ZINC000004832762 181158753 /nfs/dbraw/zinc/15/87/53/181158753.db2.gz ZZQKQLJYIHWWRB-LLVKDONJSA-N 0 0 321.829 4.473 50 0 DIAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCCCC1 ZINC000004834740 181159313 /nfs/dbraw/zinc/15/93/13/181159313.db2.gz ZIJUBEGENOAUEC-UHFFFAOYSA-N 0 0 304.821 4.060 50 0 DIAARN CCOc1ccccc1NC(=O)c1ccc(Cl)cc1OCC ZINC000004841412 181161369 /nfs/dbraw/zinc/16/13/69/181161369.db2.gz VZTAMLFHOLUXHK-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN CC(=O)c1ccc(OCCOc2cccc3ccc(C)nc32)cc1 ZINC000004842668 181161945 /nfs/dbraw/zinc/16/19/45/181161945.db2.gz HZFGUAQJKDALJN-UHFFFAOYSA-N 0 0 321.376 4.204 50 0 DIAARN CCc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000004842637 181161970 /nfs/dbraw/zinc/16/19/70/181161970.db2.gz RLRWYOWJXBOLJR-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN Cc1ccc(SCCCCn2cnc3ccccc3c2=O)cc1 ZINC000004842661 181162073 /nfs/dbraw/zinc/16/20/73/181162073.db2.gz ZZCQASOSIFGTKV-UHFFFAOYSA-N 0 0 324.449 4.277 50 0 DIAARN CCOc1ccccc1Nc1nnc(SCC(C)C)s1 ZINC000004843441 181162101 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/nfs/dbraw/zinc/16/63/93/181166393.db2.gz NWJOPCVTTKVFEX-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN COc1c(C)cccc1C(=O)Nc1ccccc1Br ZINC000004869181 181166560 /nfs/dbraw/zinc/16/65/60/181166560.db2.gz HGRVVTKHOFJVQC-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CC(C)(C)C1CCC2(CC1)N=C(c1cccc(F)c1)C(=S)N2 ZINC000004890648 181168370 /nfs/dbraw/zinc/16/83/70/181168370.db2.gz MXXMDNBENQEMML-UHFFFAOYSA-N 0 0 318.461 4.478 50 0 DIAARN Cc1cc2cc(CNC(=S)Nc3ccc(C)cc3)ccc2[nH]1 ZINC000004924946 181173925 /nfs/dbraw/zinc/17/39/25/181173925.db2.gz GSDFDHAUJWWBPL-UHFFFAOYSA-N 0 0 309.438 4.271 50 0 DIAARN CCCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000004906769 181171515 /nfs/dbraw/zinc/17/15/15/181171515.db2.gz QTAPILRWJGAFOJ-UHFFFAOYSA-N 0 0 300.358 4.051 50 0 DIAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)cc1 ZINC000004917495 181173040 /nfs/dbraw/zinc/17/30/40/181173040.db2.gz UKLIYAXTPKIFIF-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN O=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@H]1Cc1ccco1 ZINC000004940674 181176275 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0 DIAARN c1ccc(-c2nc3ccccc3c(NCc3ccccn3)n2)cc1 ZINC000005935556 181298067 /nfs/dbraw/zinc/29/80/67/181298067.db2.gz BGBGFDLEUDYUPU-UHFFFAOYSA-N 0 0 312.376 4.304 50 0 DIAARN CC(C)c1ccc(N2C(=S)N=NC2Cc2ccccc2)cc1 ZINC000005945004 181299233 /nfs/dbraw/zinc/29/92/33/181299233.db2.gz VKIRAWRXIXUIIU-UHFFFAOYSA-N 0 0 309.438 4.270 50 0 DIAARN Fc1cccc(Cl)c1COc1cccc(-c2cc[nH]n2)c1 ZINC000005942081 181299527 /nfs/dbraw/zinc/29/95/27/181299527.db2.gz VNOSYSKGIXGACZ-UHFFFAOYSA-N 0 0 302.736 4.448 50 0 DIAARN CC(=O)c1ccc(O[C@H](C)c2ncc(C(C)(C)C)o2)cc1F ZINC000089126827 192731328 /nfs/dbraw/zinc/73/13/28/192731328.db2.gz GTQUCLZJMWXCCS-LLVKDONJSA-N 0 0 305.349 4.454 50 0 DIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2cccc(C)c2)n1 ZINC000005981729 181303540 /nfs/dbraw/zinc/30/35/40/181303540.db2.gz DFMNHBLBWCHFKM-UHFFFAOYSA-N 0 0 316.360 4.478 50 0 biogenic DIAARN O=C(OCc1ccccc1)c1c2c(nc3ccccc31)CCC2 ZINC000005984953 181303830 /nfs/dbraw/zinc/30/38/30/181303830.db2.gz DZSJXIXHQYLQPE-UHFFFAOYSA-N 0 0 303.361 4.081 50 0 DIAARN O=C1N[C@H](c2ccc(F)cc2)Nc2sc3c(c21)CCCC3 ZINC000005997067 181304053 /nfs/dbraw/zinc/30/40/53/181304053.db2.gz UQEQICLTNZKPEU-AWEZNQCLSA-N 0 0 302.374 4.195 50 0 DIAARN C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 ZINC000006004732 181304653 /nfs/dbraw/zinc/30/46/53/181304653.db2.gz HSBQNSJYZKDWEL-CYBMUJFWSA-N 0 0 311.410 4.216 50 0 DIAARN Cc1ccc(NP(=O)(OCC(C)C)OCC(C)C)nc1 ZINC000006008843 181305649 /nfs/dbraw/zinc/30/56/49/181305649.db2.gz IAUPRURRYKPSSQ-UHFFFAOYSA-N 0 0 300.339 4.255 50 0 DIAARN CCNc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 ZINC000006051609 181308376 /nfs/dbraw/zinc/30/83/76/181308376.db2.gz GINFUDBXTPVGLA-UHFFFAOYSA-N 0 0 301.415 4.302 50 0 DIAARN O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(CO)cc1 ZINC000006082304 181311354 /nfs/dbraw/zinc/31/13/54/181311354.db2.gz FXTHCNSVVKYPNZ-UHFFFAOYSA-N 0 0 318.372 4.203 50 0 DIAARN O=C(/C=C\c1ccc(Br)cc1)NC1CCCCCC1 ZINC000006094735 181312218 /nfs/dbraw/zinc/31/22/18/181312218.db2.gz KZGFTHLEXQOXDA-XFXZXTDPSA-N 0 0 322.246 4.301 50 0 DIAARN Cc1ccc2cccc(OC(=O)/C=C/c3cccc(F)c3)c2n1 ZINC000006123315 181314413 /nfs/dbraw/zinc/31/44/13/181314413.db2.gz WKQLLEBBVPAICF-PKNBQFBNSA-N 0 0 307.324 4.301 50 0 DIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(Br)cc1 ZINC000006250137 181322738 /nfs/dbraw/zinc/32/27/38/181322738.db2.gz OCINFMUKTHNZGE-NALFIARHSA-N 0 0 322.246 4.252 50 0 DIAARN CCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000006274251 181325278 /nfs/dbraw/zinc/32/52/78/181325278.db2.gz BKJKKIRILRJAFL-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN CSc1ccccc1NC(=O)CCOc1cc(C)ccc1C ZINC000006285142 181326275 /nfs/dbraw/zinc/32/62/75/181326275.db2.gz QEJGLILAQAKENC-UHFFFAOYSA-N 0 0 315.438 4.433 50 0 DIAARN COCc1ccc(NC(=O)Nc2cccc([C@H](C)OC)c2)cc1 ZINC000193526774 201069514 /nfs/dbraw/zinc/06/95/14/201069514.db2.gz AOUICXAAGMCQRQ-ZDUSSCGKSA-N 0 0 314.385 4.184 50 0 DIAARN CC[C@@H](C)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 ZINC000006319416 181330004 /nfs/dbraw/zinc/33/00/04/181330004.db2.gz ZPPJEMYMMDUINI-CQSZACIVSA-N 0 0 316.470 4.167 50 0 DIAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000006397085 181337382 /nfs/dbraw/zinc/33/73/82/181337382.db2.gz NSFLUTBOJKRYMQ-UHFFFAOYSA-N 0 0 301.361 4.159 50 0 DIAARN CSc1ccccc1C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000194369413 201212572 /nfs/dbraw/zinc/21/25/72/201212572.db2.gz KPTZKBMWLJWKIH-UHFFFAOYSA-N 0 0 309.394 4.051 50 0 DIAARN Cc1cc(=O)oc2cc(OCc3nc4ccccc4s3)ccc12 ZINC000006421231 181340027 /nfs/dbraw/zinc/34/00/27/181340027.db2.gz WLCSEHMLCUTJCH-UHFFFAOYSA-N 0 0 323.373 4.290 50 0 DIAARN Clc1cc(Cl)cc(N[C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195112558 201341624 /nfs/dbraw/zinc/34/16/24/201341624.db2.gz WAGMYYAHFAPHHD-AWEZNQCLSA-N 0 0 319.195 4.313 50 0 DIAARN Clc1ccccc1CSc1nnc2[nH]c3ccccc3n21 ZINC000006506720 181347039 /nfs/dbraw/zinc/34/70/39/181347039.db2.gz WOFKFBZCQSFKHP-UHFFFAOYSA-N 0 0 314.801 4.156 50 0 DIAARN O=C(/C=C/c1ccco1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000006509039 181347143 /nfs/dbraw/zinc/34/71/43/181347143.db2.gz JQSVSYLMHKOXFL-FEAKQIBJSA-N 0 0 324.405 4.266 50 0 DIAARN Cc1nc2ccccc2nc1CN1CCCC[C@H]1c1nccs1 ZINC000195439654 201389778 /nfs/dbraw/zinc/38/97/78/201389778.db2.gz ABHDLQOJBTUHFV-KRWDZBQOSA-N 0 0 324.453 4.122 50 0 DIAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1 ZINC000006543177 181352502 /nfs/dbraw/zinc/35/25/02/181352502.db2.gz MWGIGDCFNGATCI-GOSISDBHSA-N 0 0 303.361 4.093 50 0 DIAARN O=C1OC(c2ccccc2)=NC1=CNc1ccc2ccccc2c1 ZINC000006535678 181352059 /nfs/dbraw/zinc/35/20/59/181352059.db2.gz QTZXVRHYJLTDHO-AQTBWJFISA-N 0 0 314.344 4.097 50 0 DIAARN COc1cc2c(cc1NC(=S)NC(C)C)oc1ccccc12 ZINC000006538582 181352118 /nfs/dbraw/zinc/35/21/18/181352118.db2.gz ZZACBBZAJRLGMW-UHFFFAOYSA-N 0 0 314.410 4.289 50 0 DIAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc2ccccc2n1 ZINC000006551930 181353145 /nfs/dbraw/zinc/35/31/45/181353145.db2.gz WABNUVWAJOFVLJ-UHFFFAOYSA-N 0 0 314.291 4.089 50 0 DIAARN O=C(Nc1ccccc1OC(F)F)c1ccc2ccccc2n1 ZINC000006547671 181353519 /nfs/dbraw/zinc/35/35/19/181353519.db2.gz SSFUGEHQMAUSAV-UHFFFAOYSA-N 0 0 314.291 4.089 50 0 DIAARN COc1cccc(CN(C)C(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000006559357 181355187 /nfs/dbraw/zinc/35/51/87/181355187.db2.gz LGTLTAUDHDTDSW-MDZDMXLPSA-N 0 0 315.800 4.020 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000006559278 181355217 /nfs/dbraw/zinc/35/52/17/181355217.db2.gz SFXIUBLQLZXSLE-XJKCOSOUSA-N 0 0 321.848 4.244 50 0 DIAARN CCOc1ncccc1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000006590478 181358409 /nfs/dbraw/zinc/35/84/09/181358409.db2.gz DDAKWOACZJZWIT-UHFFFAOYSA-N 0 0 304.777 4.003 50 0 DIAARN CCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000006605180 181359985 /nfs/dbraw/zinc/35/99/85/181359985.db2.gz VGIKAQLFCJCJQK-UHFFFAOYSA-N 0 0 300.789 4.331 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000006623181 181361257 /nfs/dbraw/zinc/36/12/57/181361257.db2.gz KLRLDCAGTQOEAN-UHFFFAOYSA-N 0 0 303.427 4.228 50 0 DIAARN O=S1(=O)c2cccc3cccc(c23)N1C/C=C/c1ccccc1 ZINC000006641961 181363724 /nfs/dbraw/zinc/36/37/24/181363724.db2.gz FSKFCTWPKGZGCG-RMKNXTFCSA-N 0 0 321.401 4.062 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C)c1 ZINC000006638408 181363863 /nfs/dbraw/zinc/36/38/63/181363863.db2.gz VLQSBEPQVNDRAV-UHFFFAOYSA-N 0 0 320.348 4.105 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)c1cccc(F)c1 ZINC000006649553 181365357 /nfs/dbraw/zinc/36/53/57/181365357.db2.gz VDOCQPPFUHHGAQ-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCSc2ccccc21 ZINC000006649140 181365439 /nfs/dbraw/zinc/36/54/39/181365439.db2.gz VNADROUIDVQMCS-QGZVFWFLSA-N 0 0 322.433 4.064 50 0 DIAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccncc1 ZINC000006699320 181372038 /nfs/dbraw/zinc/37/20/38/181372038.db2.gz RMFOYDAZGFDELA-SECBINFHSA-N 0 0 310.184 4.271 50 0 DIAARN Brc1ccc(-c2noc(/C=C/c3ccccc3)n2)o1 ZINC000006701263 181372721 /nfs/dbraw/zinc/37/27/21/181372721.db2.gz DMXFGCDFBPKJQO-RMKNXTFCSA-N 0 0 317.142 4.263 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000006700121 181372786 /nfs/dbraw/zinc/37/27/86/181372786.db2.gz DEYMRBBKXAPZQS-GHMZBOCLSA-N 0 0 300.324 4.215 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1C ZINC000006703610 181374549 /nfs/dbraw/zinc/37/45/49/181374549.db2.gz XBHGBEBEAWGUHT-UHFFFAOYSA-N 0 0 324.424 4.084 50 0 DIAARN FC(F)(F)c1cccc(-c2noc(Cc3ccccc3)n2)c1 ZINC000006704035 181374942 /nfs/dbraw/zinc/37/49/42/181374942.db2.gz GNSGEZSHNQZSOA-UHFFFAOYSA-N 0 0 304.271 4.346 50 0 DIAARN CCCC(=O)Nc1nnc(SCc2cc(C)cc(C)c2)s1 ZINC000006705438 181375394 /nfs/dbraw/zinc/37/53/94/181375394.db2.gz IBPKCZRECYDTMH-UHFFFAOYSA-N 0 0 321.471 4.186 50 0 DIAARN CSc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006703783 181375436 /nfs/dbraw/zinc/37/54/36/181375436.db2.gz CUXRUDTYZSZNMR-UHFFFAOYSA-N 0 0 301.455 4.107 50 0 DIAARN CCc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 ZINC000006714638 181375685 /nfs/dbraw/zinc/37/56/85/181375685.db2.gz IBCRWQBLUBAFNL-UHFFFAOYSA-N 0 0 320.190 4.051 50 0 DIAARN Cc1cc(C)nc(NC(=O)Nc2ccc(Br)cc2)c1 ZINC000006715410 181375789 /nfs/dbraw/zinc/37/57/89/181375789.db2.gz LAIFTNNODJQNNE-UHFFFAOYSA-N 0 0 320.190 4.105 50 0 DIAARN CC[C@@H]1OC[C@@H](COc2ccc(Oc3ccccc3)cc2)O1 ZINC000006706990 181376129 /nfs/dbraw/zinc/37/61/29/181376129.db2.gz ZDOOQPFIGYHZFV-QZTJIDSGSA-N 0 0 300.354 4.009 50 0 DIAARN Nc1c2ccccc2oc1-c1cc(=O)oc2ccc(Cl)cc21 ZINC000006719840 181376691 /nfs/dbraw/zinc/37/66/91/181376691.db2.gz LKKQOEDHJPYYCC-UHFFFAOYSA-N 0 0 311.724 4.442 50 0 DIAARN COc1cccc([C@@H](C)NC(=O)Nc2ccccc2Cl)c1 ZINC000006725370 181377362 /nfs/dbraw/zinc/37/73/62/181377362.db2.gz IKLDHFZXVBHROA-LLVKDONJSA-N 0 0 304.777 4.231 50 0 DIAARN COc1ccccc1-c1nc(-c2cc(Cl)ccc2OC)no1 ZINC000006703120 181374501 /nfs/dbraw/zinc/37/45/01/181374501.db2.gz KZYUYOKVIXWYMK-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN COc1cccc(-c2noc(COc3ccc(C(C)C)cc3)n2)c1 ZINC000006729331 181378127 /nfs/dbraw/zinc/37/81/27/181378127.db2.gz QHFPQOHUDGIAOA-UHFFFAOYSA-N 0 0 324.380 4.448 50 0 DIAARN CCCCC(=O)Nc1nnc(SCCc2ccccc2)s1 ZINC000006735784 181380021 /nfs/dbraw/zinc/38/00/21/181380021.db2.gz QFDSRCOHJXMHCM-UHFFFAOYSA-N 0 0 321.471 4.002 50 0 DIAARN CCCCC(=O)Nc1nnc(SCc2cccc(C)c2)s1 ZINC000006739920 181380741 /nfs/dbraw/zinc/38/07/41/181380741.db2.gz JUVHNGIOIFTXBO-UHFFFAOYSA-N 0 0 321.471 4.268 50 0 DIAARN Cc1ccc2nc(Nc3cc(Cl)ccc3C)c3nncn3c2c1 ZINC000006802921 181391352 /nfs/dbraw/zinc/39/13/52/181391352.db2.gz ROZGJUXQUVREHS-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN Cc1cc(OCc2noc(-c3ccc(F)cc3)n2)ccc1Cl ZINC000006747900 181382703 /nfs/dbraw/zinc/38/27/03/181382703.db2.gz QPWSCKLHRIHEQL-UHFFFAOYSA-N 0 0 318.735 4.417 50 0 DIAARN CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(C)ccc2O3)cc1 ZINC000006748475 181382749 /nfs/dbraw/zinc/38/27/49/181382749.db2.gz DOPOYILXGKSVNH-UHFFFAOYSA-N 0 0 318.376 4.417 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccc(C)cc3)cc12 ZINC000006751725 181383046 /nfs/dbraw/zinc/38/30/46/181383046.db2.gz ICSNMSPWFUZXJD-UHFFFAOYSA-N 0 0 320.436 4.076 50 0 DIAARN CC[C@@H](C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21 ZINC000006753138 181383737 /nfs/dbraw/zinc/38/37/37/181383737.db2.gz PMZYNPMJXVPNIZ-OAHLLOKOSA-N 0 0 321.424 4.012 50 0 DIAARN 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Cc1cccc2c1Oc1nc(-c3ccc(O)cc3)[nH]c(=S)c1C2 ZINC000020380559 182212859 /nfs/dbraw/zinc/21/28/59/182212859.db2.gz SYOBWBAZYWVVRC-UHFFFAOYSA-N 0 0 322.389 4.143 50 0 DIAARN Cc1ccc(-n2c(Nc3ccccc3)c3[nH]cccc-3c2=O)cc1 ZINC000020437492 182217928 /nfs/dbraw/zinc/21/79/28/182217928.db2.gz GDFGLHPVPVRCOU-LJQANCHMSA-N 0 0 315.376 4.161 50 0 DIAARN C[C@@H]1CCc2onc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000020572135 182234207 /nfs/dbraw/zinc/23/42/07/182234207.db2.gz NLNDFTAZKRKAEJ-SECBINFHSA-N 0 0 324.302 4.071 50 0 DIAARN Cn1ncc2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)F ZINC000020615106 182239567 /nfs/dbraw/zinc/23/95/67/182239567.db2.gz GLRCHUVZYHXRMV-UHFFFAOYSA-N 0 0 317.383 4.374 50 0 DIAARN CCn1ncc2c1nc(-c1cccc(OC)c1)cc2C(F)(F)F ZINC000020615841 182239607 /nfs/dbraw/zinc/23/96/07/182239607.db2.gz QTNQYSOKOUTVJD-UHFFFAOYSA-N 0 0 321.302 4.146 50 0 DIAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)cc1 ZINC000020616028 182239724 /nfs/dbraw/zinc/23/97/24/182239724.db2.gz VLTQQWKPRUQGHY-UHFFFAOYSA-N 0 0 311.694 4.377 50 0 DIAARN S=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)NC1CC1 ZINC000020625945 182239981 /nfs/dbraw/zinc/23/99/81/182239981.db2.gz NMBGVROOAJYVPT-INIZCTEOSA-N 0 0 316.857 4.056 50 0 DIAARN CO[C@H](c1nc(-c2ccc(C)c(Cl)c2)no1)c1ccccc1 ZINC000020653903 182241811 /nfs/dbraw/zinc/24/18/11/182241811.db2.gz ZBFAZEQRMIXXJW-HNNXBMFYSA-N 0 0 314.772 4.434 50 0 DIAARN CN(C(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccc(F)cc1 ZINC000020575511 182234714 /nfs/dbraw/zinc/23/47/14/182234714.db2.gz ICPROLZDJKYVKT-UHFFFAOYSA-N 0 0 319.339 4.132 50 0 DIAARN Cc1ccc(Nc2ncnc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000020574517 182235007 /nfs/dbraw/zinc/23/50/07/182235007.db2.gz MMJVSWLSXYUDEJ-UHFFFAOYSA-N 0 0 320.327 4.476 50 0 DIAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)s1 ZINC000020604999 182237187 /nfs/dbraw/zinc/23/71/87/182237187.db2.gz NMWPVTADBHMIKF-UHFFFAOYSA-N 0 0 311.332 4.278 50 0 DIAARN O=c1c(=O)c(-c2ccc(Cl)cc2)c1NC1CCCCCCC1 ZINC000020935219 182255068 /nfs/dbraw/zinc/25/50/68/182255068.db2.gz IHVFBAKJIVVBNR-UHFFFAOYSA-N 0 0 317.816 4.128 50 0 DIAARN COc1nccnc1-c1cccc(-c2ccn(C3CCCC3)n2)c1 ZINC000020782396 182247048 /nfs/dbraw/zinc/24/70/48/182247048.db2.gz KYFKLPYZZLLQGI-UHFFFAOYSA-N 0 0 320.396 4.131 50 0 DIAARN Cc1ccc(NC(=O)c2nc3ccccc3nc2Cl)cc1C ZINC000020854201 182249615 /nfs/dbraw/zinc/24/96/15/182249615.db2.gz YDXCYVYOTRXFDH-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)no2)cc1C ZINC000020896684 182252256 /nfs/dbraw/zinc/25/22/56/182252256.db2.gz FMWWNWGQEMNZFR-UHFFFAOYSA-N 0 0 311.312 4.317 50 0 DIAARN Cc1ccccc1-c1nnc(SCCOc2ccccc2)o1 ZINC000020897133 182252273 /nfs/dbraw/zinc/25/22/73/182252273.db2.gz XDHJWMOBFANLDU-UHFFFAOYSA-N 0 0 312.394 4.216 50 0 DIAARN O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCCC1 ZINC000020945523 182255780 /nfs/dbraw/zinc/25/57/80/182255780.db2.gz MPFZZYIBNNMHIK-UHFFFAOYSA-N 0 0 321.833 4.166 50 0 DIAARN Cc1ccc(CNC(=O)C[C@@H](c2cccs2)n2cccc2)cc1 ZINC000020997064 182257913 /nfs/dbraw/zinc/25/79/13/182257913.db2.gz TUTQAWJMVZGEGV-KRWDZBQOSA-N 0 0 324.449 4.154 50 0 DIAARN CCOc1ccccc1NC(=O)C[C@H](c1ccco1)n1cccc1 ZINC000020997412 182257921 /nfs/dbraw/zinc/25/79/21/182257921.db2.gz MLYPWBFCSOBMRR-MRXNPFEDSA-N 0 0 324.380 4.098 50 0 DIAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1ccccc1 ZINC000020998262 182258008 /nfs/dbraw/zinc/25/80/08/182258008.db2.gz DDBUYNKPNJKZRO-GOSISDBHSA-N 0 0 308.356 4.245 50 0 DIAARN O=C(C[C@H](c1ccco1)n1cccc1)Nc1cccc(Cl)c1 ZINC000020997275 182258113 /nfs/dbraw/zinc/25/81/13/182258113.db2.gz XOTRWGOLNLLUJN-OAHLLOKOSA-N 0 0 314.772 4.353 50 0 DIAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)NC1CCCCC1 ZINC000020998043 182258228 /nfs/dbraw/zinc/25/82/28/182258228.db2.gz AIOLDNFGBGNNBR-GOSISDBHSA-N 0 0 314.404 4.056 50 0 DIAARN Cc1ccccc1[C@@H](CC(=O)NC1CCCCC1)n1cccc1 ZINC000020998602 182258784 /nfs/dbraw/zinc/25/87/84/182258784.db2.gz AJMYZODEDAHWFL-LJQANCHMSA-N 0 0 310.441 4.225 50 0 DIAARN CC[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021392689 182273653 /nfs/dbraw/zinc/27/36/53/182273653.db2.gz YEHDTEZPMOEVOP-KDOFPFPSSA-N 0 0 311.450 4.013 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1 ZINC000021171037 182268453 /nfs/dbraw/zinc/26/84/53/182268453.db2.gz JPWSEUJWSSPBPJ-IBGZPJMESA-N 0 0 324.424 4.257 50 0 DIAARN Cc1cc(C)c(C)c(S[C@H](C)C(=O)NC2CCCC2)c1C ZINC000021327061 182272272 /nfs/dbraw/zinc/27/22/72/182272272.db2.gz UZPBOKVUHDUZJB-OAHLLOKOSA-N 0 0 305.487 4.460 50 0 DIAARN COc1ccc(C)cc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000021364292 182273076 /nfs/dbraw/zinc/27/30/76/182273076.db2.gz OJFNJOSRUZOYSI-AWEZNQCLSA-N 0 0 322.408 4.477 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2C(=O)CCc2ccccc2)no1 ZINC000021719049 182285202 /nfs/dbraw/zinc/28/52/02/182285202.db2.gz UHPLQACEOGGOQK-QGZVFWFLSA-N 0 0 312.413 4.094 50 0 DIAARN Cc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720049 182286518 /nfs/dbraw/zinc/28/65/18/182286518.db2.gz KTIDQJQYIDEZHU-GOSISDBHSA-N 0 0 322.412 4.019 50 0 DIAARN C/C=C/c1ccc(OCc2nc3cc(OC)ccc3[nH]2)c(OC)c1 ZINC000021658818 182282620 /nfs/dbraw/zinc/28/26/20/182282620.db2.gz ZUMYEHLZMWMZIE-SNAWJCMRSA-N 0 0 324.380 4.192 50 0 biogenic DIAARN Cc1nnc2c(SCc3ccccc3C)nc3ccccc3n12 ZINC000021658016 182282998 /nfs/dbraw/zinc/28/29/98/182282998.db2.gz PUWFRCUPZBAQDA-UHFFFAOYSA-N 0 0 320.421 4.187 50 0 DIAARN Cc1noc(-c2ccc(-c3noc(-c4cccc(C)c4)n3)cc2)n1 ZINC000021715990 182284611 /nfs/dbraw/zinc/28/46/11/182284611.db2.gz DCHWSDBBLABCMJ-UHFFFAOYSA-N 0 0 318.336 4.070 50 0 DIAARN Cc1ccccc1-c1noc2ncnc(NCc3ccccc3)c12 ZINC000021714660 182284707 /nfs/dbraw/zinc/28/47/07/182284707.db2.gz VYWKFJVSWJLUNG-UHFFFAOYSA-N 0 0 316.364 4.205 50 0 DIAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3C)cc1 ZINC000021799427 182290605 /nfs/dbraw/zinc/29/06/05/182290605.db2.gz AGBRGEFGXMVCTD-UHFFFAOYSA-N 0 0 305.303 4.340 50 0 DIAARN CC[C@H](C)Nc1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000021798889 182290753 /nfs/dbraw/zinc/29/07/53/182290753.db2.gz UMCWYIGUQZDPRB-NSHDSACASA-N 0 0 312.392 4.363 50 0 DIAARN Cc1cc(NCCC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021799053 182290797 /nfs/dbraw/zinc/29/07/97/182290797.db2.gz AUSAPMIUAUVHQL-UHFFFAOYSA-N 0 0 312.392 4.302 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)c1ccnc(Cl)c1 ZINC000021812758 182292436 /nfs/dbraw/zinc/29/24/36/182292436.db2.gz WADITROTZZOYDA-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN O=C(Nc1ccccc1O)c1ccccc1Oc1ccccc1 ZINC000021866425 182294943 /nfs/dbraw/zinc/29/49/43/182294943.db2.gz YGYGZHCNSOUYSB-UHFFFAOYSA-N 0 0 305.333 4.437 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 ZINC000021895251 182296513 /nfs/dbraw/zinc/29/65/13/182296513.db2.gz SGQFCLJRANBWCD-OKILXGFUSA-N 0 0 310.441 4.165 50 0 DIAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)NC1CCCC1 ZINC000021890204 182296696 /nfs/dbraw/zinc/29/66/96/182296696.db2.gz BTLMLHVCKQDECQ-KRWDZBQOSA-N 0 0 323.440 4.396 50 0 DIAARN C[C@@H](CNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000021905856 182298454 /nfs/dbraw/zinc/29/84/54/182298454.db2.gz QLOZQNLBCKCTPQ-INIZCTEOSA-N 0 0 303.405 4.302 50 0 DIAARN CCCc1cc([C@H]2CCCN2Cc2cccc(F)c2F)no1 ZINC000021720125 182286726 /nfs/dbraw/zinc/28/67/26/182286726.db2.gz CKXIJMUJIOUXDY-MRXNPFEDSA-N 0 0 306.356 4.242 50 0 DIAARN c1nc(SCc2cccc3cccnc32)nn1-c1ccccc1 ZINC000021757350 182287610 /nfs/dbraw/zinc/28/76/10/182287610.db2.gz JJQKILCBCCXERF-UHFFFAOYSA-N 0 0 318.405 4.108 50 0 DIAARN O=C(NCCc1ccccn1)c1ccc(C2CCCCC2)cc1 ZINC000021774052 182287750 /nfs/dbraw/zinc/28/77/50/182287750.db2.gz ICSBNXCMDQOPQR-UHFFFAOYSA-N 0 0 308.425 4.102 50 0 DIAARN O=C(NCCCOC1CCCCC1)c1cccc2ccccc21 ZINC000021971844 182300885 /nfs/dbraw/zinc/30/08/85/182300885.db2.gz ZSISCNRHTXSXTK-UHFFFAOYSA-N 0 0 311.425 4.309 50 0 DIAARN C[C@H]1c2ccsc2CCN1C(=O)c1csc2c1CCCC2 ZINC000022007809 182303480 /nfs/dbraw/zinc/30/34/80/182303480.db2.gz WROQDJKVDXHHEE-NSHDSACASA-N 0 0 317.479 4.448 50 0 DIAARN Cc1ccc(CCC(=O)N[C@@H]2CCc3ccccc32)cc1Cl ZINC000022009064 182303499 /nfs/dbraw/zinc/30/34/99/182303499.db2.gz YNQLGRLGBJBJMW-GOSISDBHSA-N 0 0 313.828 4.385 50 0 DIAARN Cc1ccc(CCC(=O)NCc2ccccc2F)cc1Cl ZINC000022006955 182303781 /nfs/dbraw/zinc/30/37/81/182303781.db2.gz SVYMODDKDPAPSV-UHFFFAOYSA-N 0 0 305.780 4.037 50 0 DIAARN C[C@H](NC(=O)CCc1cccs1)c1ccc2c(c1)CCCC2 ZINC000021934047 182298943 /nfs/dbraw/zinc/29/89/43/182298943.db2.gz WBMAIFRHAOSGCR-AWEZNQCLSA-N 0 0 313.466 4.437 50 0 DIAARN FC(F)(F)c1nc(Cl)c2cc(Br)ccc2n1 ZINC000021953410 182299930 /nfs/dbraw/zinc/29/99/30/182299930.db2.gz JZFWFSWPWLDAII-UHFFFAOYSA-N 0 0 311.488 4.065 50 0 DIAARN CC[C@H](NC(=O)c1cccc2ncccc21)c1ccc(C)cc1 ZINC000022278109 182316546 /nfs/dbraw/zinc/31/65/46/182316546.db2.gz HXCFCFSDZDYCJN-SFHVURJKSA-N 0 0 304.393 4.424 50 0 DIAARN CCN(CC)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022328962 182318168 /nfs/dbraw/zinc/31/81/68/182318168.db2.gz AERHHTFRVDCUBM-UHFFFAOYSA-N 0 0 300.402 4.121 50 0 DIAARN O=C(NC1CC1)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022331888 182319007 /nfs/dbraw/zinc/31/90/07/182319007.db2.gz JIMSEWCYINNINI-UHFFFAOYSA-N 0 0 310.397 4.282 50 0 DIAARN CCCCCNC(=O)c1sc2ccc(OC)cc2c1Cl ZINC000022336907 182319060 /nfs/dbraw/zinc/31/90/60/182319060.db2.gz KQLFANBAPDUQTD-UHFFFAOYSA-N 0 0 311.834 4.483 50 0 DIAARN COc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000022390173 182319941 /nfs/dbraw/zinc/31/99/41/182319941.db2.gz IOLCGPUDTDBFJT-UHFFFAOYSA-N 0 0 311.312 4.347 50 0 DIAARN C[C@@]1(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1(Cl)Cl ZINC000022192101 182312498 /nfs/dbraw/zinc/31/24/98/182312498.db2.gz RVMSTXNJZMBAOG-INIZCTEOSA-N 0 0 320.219 4.461 50 0 DIAARN Cc1nc(C(=O)Nc2ccccc2Sc2ccccc2)co1 ZINC000022538403 182325727 /nfs/dbraw/zinc/32/57/27/182325727.db2.gz ULXBFUBHZXLTFT-UHFFFAOYSA-N 0 0 310.378 4.387 50 0 DIAARN Cc1noc(-c2ccccc2C)c1C(=O)NCc1ccccc1C ZINC000022646779 182329661 /nfs/dbraw/zinc/32/96/61/182329661.db2.gz NAQVKAGFAVOOEM-UHFFFAOYSA-N 0 0 320.392 4.197 50 0 DIAARN COc1ccc2sc(C(=O)NCc3ccco3)c(Cl)c2c1 ZINC000022651729 182329835 /nfs/dbraw/zinc/32/98/35/182329835.db2.gz WFWXIJDBUGLEPQ-UHFFFAOYSA-N 0 0 321.785 4.086 50 0 DIAARN O=C(Cc1cccc2ccccc21)NCC1(c2cccs2)CC1 ZINC000022680265 182330185 /nfs/dbraw/zinc/33/01/85/182330185.db2.gz LDHXAGKUQOSVHV-UHFFFAOYSA-N 0 0 321.445 4.292 50 0 DIAARN CC[C@H](NC(=O)Cc1ccccc1C)c1ccc(Cl)cc1 ZINC000022491725 182323582 /nfs/dbraw/zinc/32/35/82/182323582.db2.gz PITJHHRIWXEFHM-KRWDZBQOSA-N 0 0 301.817 4.458 50 0 DIAARN CCCCNC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000022990788 182344276 /nfs/dbraw/zinc/34/42/76/182344276.db2.gz MIWBRGXMRBHBOY-UHFFFAOYSA-N 0 0 308.834 4.302 50 0 DIAARN CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000022836692 182336742 /nfs/dbraw/zinc/33/67/42/182336742.db2.gz POOGJPJMVUMBHY-UHFFFAOYSA-N 0 0 306.365 4.148 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2OC(F)F)C1(C)C ZINC000022839578 182336945 /nfs/dbraw/zinc/33/69/45/182336945.db2.gz RQOYXIBTUQGBBN-ZFWWWQNUSA-N 0 0 323.383 4.143 50 0 DIAARN CN(Cc1ccc(F)cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000022895501 182339312 /nfs/dbraw/zinc/33/93/12/182339312.db2.gz RGNAYLDRDSSMQB-UHFFFAOYSA-N 0 0 319.395 4.140 50 0 DIAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC000023038957 182345530 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Cc1cccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)c1 ZINC000065148873 184311574 /nfs/dbraw/zinc/31/15/74/184311574.db2.gz KZBBGIUNFCGLPR-UHFFFAOYSA-N 0 0 319.408 4.077 50 0 DIAARN Cc1ccccc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148872 184311727 /nfs/dbraw/zinc/31/17/27/184311727.db2.gz MXVSMPSAGWBMIC-UHFFFAOYSA-N 0 0 319.408 4.077 50 0 DIAARN CCn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000065137333 184311763 /nfs/dbraw/zinc/31/17/63/184311763.db2.gz GAYAGCOLULWFRK-UHFFFAOYSA-N 0 0 322.393 4.349 50 0 DIAARN CCCn1cc2c3c1cccc3CN(C(=O)C1CCCC1)CC2 ZINC000065148638 184311775 /nfs/dbraw/zinc/31/17/75/184311775.db2.gz XVPURKLSWOYNQZ-UHFFFAOYSA-N 0 0 310.441 4.126 50 0 DIAARN CCc1nc2cc(-c3noc(Cc4ccccc4F)n3)ccc2o1 ZINC000065149751 184311838 /nfs/dbraw/zinc/31/18/38/184311838.db2.gz WKWXMEJNAJDRBZ-UHFFFAOYSA-N 0 0 323.327 4.170 50 0 DIAARN COc1ccccc1NCc1c(C)nn(-c2ccccc2)c1C ZINC000065154865 184312876 /nfs/dbraw/zinc/31/28/76/184312876.db2.gz CBHZEYUJKDDDNH-UHFFFAOYSA-N 0 0 307.397 4.110 50 0 DIAARN Cc1ccc(-c2ncccc2CNC(=O)c2ccc(F)cc2)cc1 ZINC000065171350 184313570 /nfs/dbraw/zinc/31/35/70/184313570.db2.gz FMEZAWAZDROZBW-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN Cc1cccc(-c2ncccc2CNC(=O)C2CCCCC2)c1 ZINC000065171205 184313694 /nfs/dbraw/zinc/31/36/94/184313694.db2.gz UUEFINQULSWKNN-UHFFFAOYSA-N 0 0 308.425 4.254 50 0 DIAARN Cc1cccc(-c2ncccc2CNC(=O)c2cccc(F)c2)c1 ZINC000065171239 184313729 /nfs/dbraw/zinc/31/37/29/184313729.db2.gz OWMQPSYZEJJOMH-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN CC(C)c1nnc(-c2sccc2NC(=O)c2cccs2)o1 ZINC000065218701 184314888 /nfs/dbraw/zinc/31/48/88/184314888.db2.gz ZLUCHTKFDIZDPM-UHFFFAOYSA-N 0 0 319.411 4.235 50 0 DIAARN CCCN(CCC)C(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000064668986 184302395 /nfs/dbraw/zinc/30/23/95/184302395.db2.gz SSECRQPEUWEKCQ-UHFFFAOYSA-N 0 0 300.377 4.150 50 0 DIAARN Cc1ccc(-c2nc(C(=O)NC3CCCCC3)cs2)s1 ZINC000064676440 184302421 /nfs/dbraw/zinc/30/24/21/184302421.db2.gz RUGMYULYAMTVHG-UHFFFAOYSA-N 0 0 306.456 4.243 50 0 DIAARN CCc1nc(-c2ccc(C(=O)NCCC(C)C)cc2)cs1 ZINC000064677462 184302605 /nfs/dbraw/zinc/30/26/05/184302605.db2.gz JRQQALMSTOPBAA-UHFFFAOYSA-N 0 0 302.443 4.148 50 0 DIAARN CC(C)(C)CC(=O)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000064678070 184302629 /nfs/dbraw/zinc/30/26/29/184302629.db2.gz LCWDRKOURCXVFK-UHFFFAOYSA-N 0 0 321.436 4.269 50 0 DIAARN c1cn(CCOc2ccccc2-c2cnc3ccccc3c2)cn1 ZINC000065394016 184334326 /nfs/dbraw/zinc/33/43/26/184334326.db2.gz OSXJLWXLWCEBLD-UHFFFAOYSA-N 0 0 315.376 4.177 50 0 DIAARN CC(C)n1cnc2ccc(-c3noc(-c4cccs4)n3)cc21 ZINC000065240624 184317859 /nfs/dbraw/zinc/31/78/59/184317859.db2.gz SIAJGIBYYWDENP-UHFFFAOYSA-N 0 0 310.382 4.396 50 0 DIAARN O=C(NCc1cccc(F)c1)c1cc2cn(C3CC3)cc2s1 ZINC000065285618 184321999 /nfs/dbraw/zinc/32/19/99/184321999.db2.gz JSQLXOGLLAWIMS-UHFFFAOYSA-N 0 0 314.385 4.107 50 0 DIAARN CCOc1cc(Br)ccc1C(=O)Nc1ccccc1 ZINC000065337444 184325078 /nfs/dbraw/zinc/32/50/78/184325078.db2.gz CQYGRYCEEPWZDT-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1)CC(C)(C)O2 ZINC000065364027 184328876 /nfs/dbraw/zinc/32/88/76/184328876.db2.gz KSLCSMDWMFVZJA-MRXNPFEDSA-N 0 0 310.397 4.419 50 0 DIAARN FC(F)(F)CCCN1CCO[C@H](CCCc2ccccc2)C1 ZINC000065370201 184329291 /nfs/dbraw/zinc/32/92/91/184329291.db2.gz KABJRJLBWTZLFC-MRXNPFEDSA-N 0 0 315.379 4.053 50 0 DIAARN OCCCCCn1cnc(-c2ccccc2)c1-c1cccc(O)c1 ZINC000065382582 184332517 /nfs/dbraw/zinc/33/25/17/184332517.db2.gz LXPLZSLYBFGXDN-UHFFFAOYSA-N 0 0 322.408 4.085 50 0 DIAARN CC[C@@H](C)Sc1ncc(-c2[nH]cnc2-c2ccccc2)cn1 ZINC000065382218 184332543 /nfs/dbraw/zinc/33/25/43/184332543.db2.gz XCPCGMRZINEAOX-GFCCVEGCSA-N 0 0 310.426 4.424 50 0 DIAARN Cc1cc2ncn(-c3ccc(O)c(-c4ccno4)c3)c2cc1C ZINC000065397716 184335702 /nfs/dbraw/zinc/33/57/02/184335702.db2.gz YTSHZJMCUVUDME-UHFFFAOYSA-N 0 0 305.337 4.003 50 0 DIAARN CCOc1ccc(-c2c[nH]c(-c3cccc(OC)c3OC)n2)cc1 ZINC000065398206 184335748 /nfs/dbraw/zinc/33/57/48/184335748.db2.gz BFBPKRVHTKFQBL-UHFFFAOYSA-N 0 0 324.380 4.160 50 0 DIAARN CCCCOc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](CC)O2)cc1 ZINC000065399052 184336482 /nfs/dbraw/zinc/33/64/82/184336482.db2.gz QAUBIBGFJPDRSX-AOIWGVFYSA-N 0 0 319.445 4.000 50 0 DIAARN Cc1ccc2oc(C(=O)N(C)[C@@H](C)c3nccs3)cc2c1 ZINC000065527406 184360514 /nfs/dbraw/zinc/36/05/14/184360514.db2.gz JDBCIPSIEBJYDI-NSHDSACASA-N 0 0 300.383 4.031 50 0 DIAARN CCN(C(=O)CC(C)C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000065568640 184367806 /nfs/dbraw/zinc/36/78/06/184367806.db2.gz OHHTXFPPDTWJRL-LJQANCHMSA-N 0 0 314.404 4.205 50 0 DIAARN CCC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(F)cc1 ZINC000065590362 184369871 /nfs/dbraw/zinc/36/98/71/184369871.db2.gz GFISPDOQKZNPOM-MRXNPFEDSA-N 0 0 301.365 4.226 50 0 DIAARN C[C@H](c1cccnc1)N(C(=O)c1cccc(Cl)c1)C1CC1 ZINC000065605540 184371352 /nfs/dbraw/zinc/37/13/52/184371352.db2.gz HTARAFSAKRSCPL-GFCCVEGCSA-N 0 0 300.789 4.101 50 0 DIAARN Cc1nc(NC(=O)N(Cc2ccccc2)CC2CCC2)oc1C ZINC000065827161 184380723 /nfs/dbraw/zinc/38/07/23/184380723.db2.gz XPDRFTJWSFJSRC-UHFFFAOYSA-N 0 0 313.401 4.126 50 0 DIAARN Cc1cc2nc(-c3ccc(-c4cncnc4)cc3)[nH]c2cc1C ZINC000067473194 184469198 /nfs/dbraw/zinc/46/91/98/184469198.db2.gz OIBCLGNZARRJGB-UHFFFAOYSA-N 0 0 300.365 4.304 50 0 DIAARN Cc1nnc([C@H](C)N2Cc3ccccc3-c3ccccc3C2)o1 ZINC000069518933 184522189 /nfs/dbraw/zinc/52/21/89/184522189.db2.gz PCGIWPQYBXUAHE-ZDUSSCGKSA-N 0 0 305.381 4.122 50 0 DIAARN CO[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000120517206 195182041 /nfs/dbraw/zinc/18/20/41/195182041.db2.gz PCDIBRSCKNWVPD-MRXNPFEDSA-N 0 0 324.405 4.136 50 0 DIAARN O=C(CCc1ccc(-c2ccccc2)o1)NCc1cccs1 ZINC000007985323 256522436 /nfs/dbraw/zinc/52/24/36/256522436.db2.gz GHBNLLDBLVPZOH-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN O=C(NCc1ccccc1F)c1cc2cc(F)ccc2s1 ZINC000008331283 256523705 /nfs/dbraw/zinc/52/37/05/256523705.db2.gz ALHDMKRDEJBARV-UHFFFAOYSA-N 0 0 303.333 4.110 50 0 DIAARN Cc1cc([C@H](C)NC(=O)NCc2cccc(C)c2)c(C)s1 ZINC000048309884 256536465 /nfs/dbraw/zinc/53/64/65/256536465.db2.gz CIPLXILJLVFCIF-ZDUSSCGKSA-N 0 0 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/nfs/dbraw/zinc/25/18/10/257251810.db2.gz MBVXZNRAVUGZEE-CYBMUJFWSA-N 0 0 301.386 4.136 50 0 DIAARN Cc1ccc([C@H](C)NC(=O)N2CCC3(C2)CCCCCC3)cn1 ZINC000426398280 257252630 /nfs/dbraw/zinc/25/26/30/257252630.db2.gz ZRJVTUMLNPADMS-INIZCTEOSA-N 0 0 315.461 4.207 50 0 DIAARN Fc1cccc(OC(F)F)c1-c1nc([C@H]2CCOC2)cs1 ZINC000408519720 257255328 /nfs/dbraw/zinc/25/53/28/257255328.db2.gz TZFBUCMATWRKAS-QMMMGPOBSA-N 0 0 315.316 4.055 50 0 DIAARN Cc1cc(C)c(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c(C)n1 ZINC000408518887 257255402 /nfs/dbraw/zinc/25/54/02/257255402.db2.gz HZWQNPOKKIBWIB-GOSISDBHSA-N 0 0 323.440 4.246 50 0 DIAARN Cc1ccc(-c2cc(C(=O)NCc3cc(F)ccc3C)no2)cc1 ZINC000334161875 257262268 /nfs/dbraw/zinc/26/22/68/257262268.db2.gz GRIYLPWCEWRXLO-UHFFFAOYSA-N 0 0 324.355 4.028 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(C)=O)C[C@@H](C(C)(C)C)CC2 ZINC000000129637 257266476 /nfs/dbraw/zinc/26/64/76/257266476.db2.gz VGSHFACDAVDNNW-NSHDSACASA-N 0 0 323.458 4.034 50 0 DIAARN CCc1cccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000016431351 257268623 /nfs/dbraw/zinc/26/86/23/257268623.db2.gz SMWWJQKTEDFHLR-AWEZNQCLSA-N 0 0 314.404 4.020 50 0 DIAARN COc1cccc(Cl)c1-c1nccc(CCC(F)(F)F)n1 ZINC000071763089 257270587 /nfs/dbraw/zinc/27/05/87/257270587.db2.gz MLWHGBSFWXDUBN-UHFFFAOYSA-N 0 0 316.710 4.301 50 0 DIAARN CC[C@H](C)c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 ZINC000071890723 184890761 /nfs/dbraw/zinc/89/07/61/184890761.db2.gz BTCHVLPCQIFIAZ-JTQLQIEISA-N 0 0 312.373 4.444 50 0 DIAARN Cc1ccc2cccc(NC(=O)N(C)[C@H](C)c3ccccn3)c2n1 ZINC000071907970 184899590 /nfs/dbraw/zinc/89/95/90/184899590.db2.gz YSWMYTWXJORWKQ-CQSZACIVSA-N 0 0 320.396 4.163 50 0 DIAARN CCSc1nnc(SC[C@H]2OCCc3ccccc32)s1 ZINC000071908484 184899678 /nfs/dbraw/zinc/89/96/78/184899678.db2.gz LVKOEEQWNAHGOZ-GFCCVEGCSA-N 0 0 324.496 4.056 50 0 DIAARN CNC(=O)Cc1ccc(NC2CCC(c3ccccc3)CC2)cc1 ZINC000121967367 195383228 /nfs/dbraw/zinc/38/32/28/195383228.db2.gz PHQGALZIMNQSQL-UHFFFAOYSA-N 0 0 322.452 4.113 50 0 DIAARN CC1CCN(c2ncnc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000000087341 134427337 /nfs/dbraw/zinc/42/73/37/134427337.db2.gz ZYSGTYROEVXXCO-LBPRGKRZSA-N 0 0 301.459 4.052 50 0 DIAARN COc1ccccc1N1COc2cc(C)c(Cl)c(C)c2C1 ZINC000000107718 134428119 /nfs/dbraw/zinc/42/81/19/134428119.db2.gz NJOSMJSPPJPLTH-UHFFFAOYSA-N 0 0 303.789 4.322 50 0 DIAARN CC(=O)N1c2ccc(N)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000000198966 134430917 /nfs/dbraw/zinc/43/09/17/134430917.db2.gz RTWPATFTOPMBPW-HXUWFJFHSA-N 0 0 308.425 4.110 50 0 DIAARN O=C1Nc2ccccc2N(O)N1c1ccc(Cl)c(Cl)c1 ZINC000000184493 134431259 /nfs/dbraw/zinc/43/12/59/134431259.db2.gz PTBZXLARSFGCDB-UHFFFAOYSA-N 0 0 310.140 4.156 50 0 DIAARN CC1CCN(c2ncnc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000000551878 134440441 /nfs/dbraw/zinc/44/04/41/134440441.db2.gz WVOKTOSEXPDRBJ-UHFFFAOYSA-N 0 0 300.793 4.001 50 0 DIAARN Cc1ccc(Cl)c(OCC(=O)N2CCCc3ccccc32)c1 ZINC000001459169 134444852 /nfs/dbraw/zinc/44/48/52/134444852.db2.gz NDQVGLULSAJXNZ-UHFFFAOYSA-N 0 0 315.800 4.007 50 0 DIAARN C[C@@H]1CN(C(=O)Nc2ccccc2Cl)c2ccccc2O1 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COc1ccc(-c2c(C)c3cc(Cl)ccc3oc2=O)cc1 ZINC000000058086 563212251 /nfs/dbraw/zinc/21/22/51/563212251.db2.gz LTJITSUGXMWWBP-UHFFFAOYSA-N 0 0 300.741 4.430 50 0 DIAARN C/C=C(\C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000068196 563212848 /nfs/dbraw/zinc/21/28/48/563212848.db2.gz QCIDTJYPRLKAJP-KGVSQERTSA-N 0 0 313.784 4.476 50 0 DIAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccs1 ZINC000000082989 563214664 /nfs/dbraw/zinc/21/46/64/563214664.db2.gz WFSCUDVXJZAGTE-UHFFFAOYSA-N 0 0 312.419 4.223 50 0 DIAARN COc1cc(C)c(NC(=O)Cc2ccc(F)cc2)cc1C(C)C ZINC000000091295 563215799 /nfs/dbraw/zinc/21/57/99/563215799.db2.gz GQFDQJGVBXBQJY-UHFFFAOYSA-N 0 0 315.388 4.447 50 0 DIAARN Cc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000000091581 563215844 /nfs/dbraw/zinc/21/58/44/563215844.db2.gz LNGPFUXZZUNYMX-UHFFFAOYSA-N 0 0 319.195 4.253 50 0 DIAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1F ZINC000000094920 563216310 /nfs/dbraw/zinc/21/63/10/563216310.db2.gz CKULBKBTFGAIIB-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN Cc1c(C)n(C[C@H](O)CNc2ccc(C)cc2)c2ccccc12 ZINC000000096644 563216404 /nfs/dbraw/zinc/21/64/04/563216404.db2.gz ZRHISOPADIYMBV-GOSISDBHSA-N 0 0 308.425 4.040 50 0 DIAARN C[C@H](O)c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000000099439 563216896 /nfs/dbraw/zinc/21/68/96/563216896.db2.gz MFHUZKAIOOSYAR-AWEZNQCLSA-N 0 0 302.377 4.291 50 0 DIAARN CN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000099865 563217132 /nfs/dbraw/zinc/21/71/32/563217132.db2.gz DPUUYNGMSOUYKR-UHFFFAOYSA-N 0 0 318.829 4.031 50 0 DIAARN CCOc1ccc2c(c1)nc1n2C(=O)C[C@@H](c2ccccc2)S1 ZINC000000102995 563217673 /nfs/dbraw/zinc/21/76/73/563217673.db2.gz PGFYTJLJFLMTBB-INIZCTEOSA-N 0 0 324.405 4.312 50 0 DIAARN Cc1nc(C)c(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)o1 ZINC000000107688 563217963 /nfs/dbraw/zinc/21/79/63/563217963.db2.gz MGXYCPAXRGAWSF-UHFFFAOYSA-N 0 0 319.286 4.434 50 0 DIAARN Fc1ccccc1Cn1c2ccccc2nc1-c1cncs1 ZINC000000111832 563218946 /nfs/dbraw/zinc/21/89/46/563218946.db2.gz LNOHEKGICQPRKX-UHFFFAOYSA-N 0 0 309.369 4.347 50 0 DIAARN CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000000113294 563219158 /nfs/dbraw/zinc/21/91/58/563219158.db2.gz DAWSYIQAGQMLFS-SFHVURJKSA-N 0 0 324.376 4.313 50 0 biogenic,in-vitro DIAARN COc1cc2ncnc(Sc3ccc(C)cc3)c2cc1OC ZINC000000116419 563219310 /nfs/dbraw/zinc/21/93/10/563219310.db2.gz QWSGISSWTYGSSD-UHFFFAOYSA-N 0 0 312.394 4.107 50 0 DIAARN O=C(Nc1ccc(Cl)c(Cl)c1)n1ccc(C(F)(F)F)n1 ZINC000000117281 563220052 /nfs/dbraw/zinc/22/00/52/563220052.db2.gz RSOLXNSIMCKZFI-UHFFFAOYSA-N 0 0 324.089 4.289 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1 ZINC000000122013 563220452 /nfs/dbraw/zinc/22/04/52/563220452.db2.gz BPJVBZGXYDMERI-UHFFFAOYSA-N 0 0 307.349 4.087 50 0 DIAARN O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000000121422 563220472 /nfs/dbraw/zinc/22/04/72/563220472.db2.gz MXHDSBYJGVZESK-UHFFFAOYSA-N 0 0 316.360 4.191 50 0 DIAARN Cc1ccc(-c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 ZINC000000121344 563220614 /nfs/dbraw/zinc/22/06/14/563220614.db2.gz FSMBBZJTQVBCAH-UHFFFAOYSA-N 0 0 309.409 4.100 50 0 DIAARN CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000128372 563221023 /nfs/dbraw/zinc/22/10/23/563221023.db2.gz PUZZOUFSBUGAEW-UHFFFAOYSA-N 0 0 303.789 4.481 50 0 DIAARN O=S(=O)(Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000000125148 563221054 /nfs/dbraw/zinc/22/10/54/563221054.db2.gz IVESRAPFPUAKEL-UHFFFAOYSA-N 0 0 307.223 4.029 50 0 DIAARN O=C(Nc1csc2ccccc12)NC1Cc2ccccc2C1 ZINC000000130443 563221652 /nfs/dbraw/zinc/22/16/52/563221652.db2.gz XYDHIKMXACSFLR-UHFFFAOYSA-N 0 0 308.406 4.190 50 0 DIAARN O=c1c2ccccc2nc(-c2cccs2)n1-c1ccccc1 ZINC000000130378 563221733 /nfs/dbraw/zinc/22/17/33/563221733.db2.gz DXSZZGSMJLNBTC-UHFFFAOYSA-N 0 0 304.374 4.114 50 0 DIAARN CC1(C)Cc2cccc(C(=O)Nc3ccc(Cl)cc3)c2O1 ZINC000000129952 563221741 /nfs/dbraw/zinc/22/17/41/563221741.db2.gz FVTWMXVJTAFAHK-UHFFFAOYSA-N 0 0 301.773 4.306 50 0 DIAARN CCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000000128715 563221745 /nfs/dbraw/zinc/22/17/45/563221745.db2.gz VBUJTSIAQWCKCT-UHFFFAOYSA-N 0 0 313.397 4.226 50 0 DIAARN O=C(Oc1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000000133168 563222315 /nfs/dbraw/zinc/22/23/15/563222315.db2.gz DZEXKULRXYBNMG-UHFFFAOYSA-N 0 0 317.138 4.415 50 0 DIAARN CN(C)c1cc(-c2ccc(Cl)c(Cl)c2)oc(=O)c1Cl ZINC000000142358 563223448 /nfs/dbraw/zinc/22/34/48/563223448.db2.gz LSVGTJAZWPRASB-UHFFFAOYSA-N 0 0 318.587 4.333 50 0 DIAARN Cc1cc(NC(=O)NCc2sccc2C)c(C(F)(F)F)o1 ZINC000000148060 563224467 /nfs/dbraw/zinc/22/44/67/563224467.db2.gz IXHXRVIEVRWEIU-UHFFFAOYSA-N 0 0 318.320 4.298 50 0 DIAARN CCOc1ccccc1OC(=O)c1ccc(Br)cc1 ZINC000000149544 563224592 /nfs/dbraw/zinc/22/45/92/563224592.db2.gz KSQJKYUIUCTPKZ-UHFFFAOYSA-N 0 0 321.170 4.067 50 0 DIAARN Cc1ccc(Sc2c(C=O)c(-c3ccccc3)nn2C)cc1 ZINC000000168658 563226387 /nfs/dbraw/zinc/22/63/87/563226387.db2.gz XESMSCMMPAMZLI-UHFFFAOYSA-N 0 0 308.406 4.359 50 0 DIAARN FC(F)(F)c1cc(-c2cccs2)nc2cc(C3CC3)nn21 ZINC000000165706 563226418 /nfs/dbraw/zinc/22/64/18/563226418.db2.gz MJPGTECZAKLNQG-UHFFFAOYSA-N 0 0 309.316 4.354 50 0 DIAARN CC1(C)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21 ZINC000000178461 563228060 /nfs/dbraw/zinc/22/80/60/563228060.db2.gz HXOQDQKAGGOWHC-UHFFFAOYSA-N 0 0 303.361 4.203 50 0 DIAARN CCc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000176195 563228136 /nfs/dbraw/zinc/22/81/36/563228136.db2.gz KGLGPAFCBCJDCH-UHFFFAOYSA-N 0 0 306.365 4.465 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000000182608 563228653 /nfs/dbraw/zinc/22/86/53/563228653.db2.gz TYXISUDNCWKZRS-HUUCEWRRSA-N 0 0 321.420 4.429 50 0 DIAARN C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000184887 563229102 /nfs/dbraw/zinc/22/91/02/563229102.db2.gz ORRNZIMGAGYDTA-NSHDSACASA-N 0 0 324.207 4.250 50 0 DIAARN COc1cc(-c2nc3cc(Cl)ccc3o2)cc(OC)c1OC ZINC000000187403 563229167 /nfs/dbraw/zinc/22/91/67/563229167.db2.gz HMAKKHOTAQDFCH-UHFFFAOYSA-N 0 0 319.744 4.174 50 0 DIAARN CC(C)CNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000000191809 563229676 /nfs/dbraw/zinc/22/96/76/563229676.db2.gz SVSLDDGWSOJQTQ-UHFFFAOYSA-N 0 0 312.482 4.219 50 0 DIAARN Cc1cnn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000000209628 563230857 /nfs/dbraw/zinc/23/08/57/563230857.db2.gz UMODPOHVGSVALO-UHFFFAOYSA-N 0 0 312.376 4.305 50 0 DIAARN Clc1ccccc1[C@@H]1C[C@@H](c2cccs2)Nc2ncnn21 ZINC000000222726 563231366 /nfs/dbraw/zinc/23/13/66/563231366.db2.gz QOAMIYOJENZPKL-STQMWFEESA-N 0 0 316.817 4.139 50 0 DIAARN COc1ccc(NC2=Nc3cccc4cccc2c34)cc1OC ZINC000000226427 563231755 /nfs/dbraw/zinc/23/17/55/563231755.db2.gz IMICCSLWVXIYPO-UHFFFAOYSA-N 0 0 304.349 4.361 50 0 DIAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Br)o1 ZINC000000240866 563232776 /nfs/dbraw/zinc/23/27/76/563232776.db2.gz NLAQCTYPUSFWMR-UHFFFAOYSA-N 0 0 316.154 4.448 50 0 DIAARN COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000241427 563232866 /nfs/dbraw/zinc/23/28/66/563232866.db2.gz MXJOPGVTYFDIQO-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN COc1ccc(CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000242296 563232972 /nfs/dbraw/zinc/23/29/72/563232972.db2.gz YCDPLESIPXUMIB-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000000248890 563233617 /nfs/dbraw/zinc/23/36/17/563233617.db2.gz VIIGONNUINYRHU-UHFFFAOYSA-N 0 0 323.845 4.339 50 0 DIAARN CCC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12 ZINC000000255141 563233978 /nfs/dbraw/zinc/23/39/78/563233978.db2.gz MEZFAFZABMTIJG-UHFFFAOYSA-N 0 0 303.365 4.086 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)COc1c(C)cccc1C ZINC000000266371 563234441 /nfs/dbraw/zinc/23/44/41/563234441.db2.gz WPQBATKNVXLWDF-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000000270083 563234712 /nfs/dbraw/zinc/23/47/12/563234712.db2.gz PEXGVUBITZZQCX-HNNXBMFYSA-N 0 0 321.486 4.155 50 0 DIAARN COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000000280765 563235243 /nfs/dbraw/zinc/23/52/43/563235243.db2.gz SKXUBCZIKHHMHG-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000000288461 563236608 /nfs/dbraw/zinc/23/66/08/563236608.db2.gz KUGQSLOETCRSPW-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000000293655 563237052 /nfs/dbraw/zinc/23/70/52/563237052.db2.gz FEFVJSGPAKUFGK-FMIVXFBMSA-N 0 0 322.408 4.420 50 0 DIAARN C[C@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000000295752 563237152 /nfs/dbraw/zinc/23/71/52/563237152.db2.gz FDFZEIGWMIYYBS-GFCCVEGCSA-N 0 0 318.214 4.266 50 0 DIAARN CC(C)N(C(=O)COc1ccc(Cl)cc1Cl)C(C)C ZINC000000294010 563237388 /nfs/dbraw/zinc/23/73/88/563237388.db2.gz XMYHKGAENHGLCH-UHFFFAOYSA-N 0 0 304.217 4.018 50 0 DIAARN CCc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)c(Cl)cc12 ZINC000000301879 563237749 /nfs/dbraw/zinc/23/77/49/563237749.db2.gz BOEPSXFHLHXXGN-UHFFFAOYSA-N 0 0 322.788 4.003 50 0 DIAARN CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000000303230 563237778 /nfs/dbraw/zinc/23/77/78/563237778.db2.gz ORFWDOVIDIHDGW-UHFFFAOYSA-N 0 0 316.788 4.249 50 0 DIAARN CCc1cc2c(cc1OC)oc(C)c(-c1ccc(F)cc1)c2=O ZINC000000302010 563238043 /nfs/dbraw/zinc/23/80/43/563238043.db2.gz NMGSPBNFDFEUBZ-UHFFFAOYSA-N 0 0 312.340 4.479 50 0 DIAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(F)(F)F ZINC000000303124 563238071 /nfs/dbraw/zinc/23/80/71/563238071.db2.gz BAVGWJYFPLBMRQ-UHFFFAOYSA-N 0 0 319.286 4.039 50 0 DIAARN C[C@@H]1CCc2sc3ncnc(NCc4ccccc4)c3c2C1 ZINC000000306854 563238583 /nfs/dbraw/zinc/23/85/83/563238583.db2.gz PIMWGBUMIBGDHW-GFCCVEGCSA-N 0 0 309.438 4.428 50 0 DIAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccco1 ZINC000000308599 563239059 /nfs/dbraw/zinc/23/90/59/563239059.db2.gz DDDPSTLQGDBNPN-UHFFFAOYSA-N 0 0 322.295 4.479 50 0 DIAARN COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1 ZINC000000308251 563239081 /nfs/dbraw/zinc/23/90/81/563239081.db2.gz VSFNRFLSPYSJJE-BJMVGYQFSA-N 0 0 317.772 4.009 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000000310667 563239499 /nfs/dbraw/zinc/23/94/99/563239499.db2.gz XWAKMKCVFUSCLB-UHFFFAOYSA-N 0 0 311.715 4.269 50 0 DIAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)OC12CCCCC2 ZINC000000310453 563239592 /nfs/dbraw/zinc/23/95/92/563239592.db2.gz RJNONOQGKSPIJE-INIZCTEOSA-N 0 0 323.392 4.044 50 0 DIAARN COc1cc(NC(=S)Nc2ccc(C)cc2C)cc(OC)c1 ZINC000000313836 563239669 /nfs/dbraw/zinc/23/96/69/563239669.db2.gz SKUIHHPHILVXPA-UHFFFAOYSA-N 0 0 316.426 4.130 50 0 DIAARN O=c1oc(-c2cccs2)nc2sc3c(c21)CCCCC3 ZINC000000316043 563240033 /nfs/dbraw/zinc/24/00/33/563240033.db2.gz GHXPLSBTZCUDSF-UHFFFAOYSA-N 0 0 303.408 4.247 50 0 DIAARN FC(F)(F)c1cccc(NC(=S)NCc2cccs2)c1 ZINC000000316136 563240075 /nfs/dbraw/zinc/24/00/75/563240075.db2.gz IMPOTIQPILLXAM-UHFFFAOYSA-N 0 0 316.373 4.254 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1C ZINC000000314108 563240163 /nfs/dbraw/zinc/24/01/63/563240163.db2.gz UDZCVDVQBUPMEN-UHFFFAOYSA-N 0 0 310.397 4.150 50 0 DIAARN CCc1cc2c(cc1OC(C)=O)occ(Oc1ccccc1)c2=O ZINC000000315031 563240403 /nfs/dbraw/zinc/24/04/03/563240403.db2.gz BDEOUMFWGZNLDD-UHFFFAOYSA-N 0 0 324.332 4.073 50 0 DIAARN Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000000318833 563240862 /nfs/dbraw/zinc/24/08/62/563240862.db2.gz WYOXITWVLDCQLT-AWEZNQCLSA-N 0 0 317.816 4.213 50 0 DIAARN Cc1cc(OCC(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl ZINC000000318836 563240872 /nfs/dbraw/zinc/24/08/72/563240872.db2.gz WYOXITWVLDCQLT-CQSZACIVSA-N 0 0 317.816 4.213 50 0 DIAARN CC(C)(C)n1cccc([C@@H](O)CC(=O)c2ccccc2)c1=S ZINC000000332218 563241349 /nfs/dbraw/zinc/24/13/49/563241349.db2.gz AUDPHDRKOIKRAV-INIZCTEOSA-N 0 0 315.438 4.279 50 0 DIAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 ZINC000000344570 563242539 /nfs/dbraw/zinc/24/25/39/563242539.db2.gz PVRXOZGPTQZUHC-UHFFFAOYSA-N 0 0 308.358 4.198 50 0 DIAARN CCN(C(=O)c1ccc(C)c(Br)c1)c1ccccc1 ZINC000000358959 563244399 /nfs/dbraw/zinc/24/43/99/563244399.db2.gz YKSRNHJPYKPGSA-UHFFFAOYSA-N 0 0 318.214 4.424 50 0 DIAARN Cc1cccc(C)c1OCC(=O)Nc1ccc2ccccc2c1 ZINC000000361899 563244992 /nfs/dbraw/zinc/24/49/92/563244992.db2.gz AJLMWEHOWVBBMG-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN CCC(CC)C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl ZINC000000365473 563246066 /nfs/dbraw/zinc/24/60/66/563246066.db2.gz BJNAKCDMYRWWTJ-UHFFFAOYSA-N 0 0 324.852 4.101 50 0 DIAARN CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1C ZINC000000373362 563246482 /nfs/dbraw/zinc/24/64/82/563246482.db2.gz LKJNOFRKPYESSB-UHFFFAOYSA-N 0 0 303.789 4.324 50 0 DIAARN CCOc1ccccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000000376248 563247145 /nfs/dbraw/zinc/24/71/45/563247145.db2.gz KOSGWXGDCYLRPL-ZHACJKMWSA-N 0 0 301.773 4.391 50 0 DIAARN CC1CCC2(CC1)SCC(=O)N2c1ccc(F)c(Cl)c1 ZINC000000381843 563247650 /nfs/dbraw/zinc/24/76/50/563247650.db2.gz YFLXUMDQTDUOFB-UHFFFAOYSA-N 0 0 313.825 4.465 50 0 DIAARN CCOc1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000000383577 563248317 /nfs/dbraw/zinc/24/83/17/563248317.db2.gz YXSLWULCWWYBLP-UHFFFAOYSA-N 0 0 321.376 4.256 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000000385146 563248635 /nfs/dbraw/zinc/24/86/35/563248635.db2.gz HYBDKWKARIPULY-UHFFFAOYSA-N 0 0 313.159 4.397 50 0 DIAARN O=C(COc1ccccc1)Nc1ccc(-c2ccccc2)cc1 ZINC000000406797 563251451 /nfs/dbraw/zinc/25/14/51/563251451.db2.gz BSACLIWMQDQKDY-UHFFFAOYSA-N 0 0 303.361 4.371 50 0 DIAARN COc1ccc(Oc2c(Cl)c(C)[n+]([O-])c(C)c2Cl)cc1 ZINC000000407499 563251576 /nfs/dbraw/zinc/25/15/76/563251576.db2.gz UKQLTYNWYNXVGD-UHFFFAOYSA-N 0 0 314.168 4.045 50 0 DIAARN COc1ccc(C(=O)CCNc2ccc(F)c(Cl)c2)cc1 ZINC000000409551 563252291 /nfs/dbraw/zinc/25/22/91/563252291.db2.gz UTLAFJYDVIXVFQ-UHFFFAOYSA-N 0 0 307.752 4.173 50 0 DIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1C ZINC000000423592 563252750 /nfs/dbraw/zinc/25/27/50/563252750.db2.gz FJOLCXHDKSIBGN-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)c1 ZINC000000423694 563252762 /nfs/dbraw/zinc/25/27/62/563252762.db2.gz HTGDXCZBSZXLOY-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CC[C@H](C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000000435816 563253888 /nfs/dbraw/zinc/25/38/88/563253888.db2.gz UMSQAOHJSUKKHD-AWEZNQCLSA-N 0 0 303.427 4.142 50 0 DIAARN O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1cccs1 ZINC000000440048 563254025 /nfs/dbraw/zinc/25/40/25/563254025.db2.gz WBWFUKNIUOPCEC-UHFFFAOYSA-N 0 0 322.389 4.253 50 0 DIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000442218 563254276 /nfs/dbraw/zinc/25/42/76/563254276.db2.gz PYPUQTVXKLFBEF-INIZCTEOSA-N 0 0 303.789 4.445 50 0 DIAARN Cc1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000000443090 563254299 /nfs/dbraw/zinc/25/42/99/563254299.db2.gz IPTNZZQWWVICAL-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN COC(=O)c1c(N)sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000000442685 563254475 /nfs/dbraw/zinc/25/44/75/563254475.db2.gz BSORCOPBZGKVFB-UHFFFAOYSA-N 0 0 303.427 4.390 50 0 DIAARN Cc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1 ZINC000000442126 563254505 /nfs/dbraw/zinc/25/45/05/563254505.db2.gz VMGGAACDBHAIPL-UHFFFAOYSA-N 0 0 316.360 4.373 50 0 aggregator DIAARN Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1C ZINC000000441745 563254629 /nfs/dbraw/zinc/25/46/29/563254629.db2.gz IEISCPYKAQSASJ-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN CCC(=O)Nc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000444450 563254886 /nfs/dbraw/zinc/25/48/86/563254886.db2.gz LDLGADIUIRTGJZ-UHFFFAOYSA-N 0 0 318.376 4.441 50 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CCOc1ccc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000000451129 563256212 /nfs/dbraw/zinc/25/62/12/563256212.db2.gz QMVYVVJGQUJQQA-HOTGVXAUSA-N 0 0 311.425 4.456 50 0 DIAARN Cc1ccccc1CSCC(=O)NCc1ccc(Cl)cc1 ZINC000000453658 563257366 /nfs/dbraw/zinc/25/73/66/563257366.db2.gz CCJJVYCEXGBPTI-UHFFFAOYSA-N 0 0 319.857 4.198 50 0 DIAARN CCOc1ccc(NC(=S)c2nc3ccccc3s2)cc1 ZINC000000458903 563258464 /nfs/dbraw/zinc/25/84/64/563258464.db2.gz MYXYJEPIAOIYDI-UHFFFAOYSA-N 0 0 314.435 4.483 50 0 DIAARN COc1cccc(NC(=O)/C=C/c2c(F)cccc2Cl)c1 ZINC000000461657 563259060 /nfs/dbraw/zinc/25/90/60/563259060.db2.gz VHXRLKYXNZJFPW-CMDGGOBGSA-N 0 0 305.736 4.140 50 0 DIAARN CCOc1c(Cl)cc(C(=O)NCc2ccccc2)cc1Cl ZINC000000462245 563259132 /nfs/dbraw/zinc/25/91/32/563259132.db2.gz FLSMXEAQTVXWCI-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN CCc1ccc(NC(=O)CCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000000461355 563259159 /nfs/dbraw/zinc/25/91/59/563259159.db2.gz XLLIUQFEGIGGMJ-UHFFFAOYSA-N 0 0 324.424 4.169 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc1C ZINC000000464027 563259219 /nfs/dbraw/zinc/25/92/19/563259219.db2.gz DWLHYVAEYCEUTD-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000000466417 563259359 /nfs/dbraw/zinc/25/93/59/563259359.db2.gz JRWAILAMARFHDK-CHWSQXEVSA-N 0 0 309.837 4.002 50 0 DIAARN COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 ZINC000000466908 563259451 /nfs/dbraw/zinc/25/94/51/563259451.db2.gz YPCIIXKLXCGBHJ-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN O=C(NCc1ccco1)/C(=C/c1ccccc1)c1ccccc1 ZINC000000466588 563259587 /nfs/dbraw/zinc/25/95/87/563259587.db2.gz NQUWMPRBCHXJLW-XMHGGMMESA-N 0 0 303.361 4.137 50 0 DIAARN CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)cc1 ZINC000000469283 563259965 /nfs/dbraw/zinc/25/99/65/563259965.db2.gz RGDSHHKCSXVYIK-UHFFFAOYSA-N 0 0 317.816 4.401 50 0 DIAARN O=C(CSc1ccc(Br)cc1)Nc1ccccc1 ZINC000000469803 563260198 /nfs/dbraw/zinc/26/01/98/563260198.db2.gz IBAFLJZDMQQKJP-UHFFFAOYSA-N 0 0 322.227 4.180 50 0 DIAARN CC(C)NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000000468508 563260206 /nfs/dbraw/zinc/26/02/06/563260206.db2.gz HTHACNLAFDUJGS-UHFFFAOYSA-N 0 0 315.413 4.294 50 0 DIAARN CSc1cccc(NC(=O)CSc2ccc(F)cc2)c1 ZINC000000469822 563260230 /nfs/dbraw/zinc/26/02/30/563260230.db2.gz JELQCKZACMAPQT-UHFFFAOYSA-N 0 0 307.415 4.278 50 0 DIAARN COc1cc(CO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000000470357 563260647 /nfs/dbraw/zinc/26/06/47/563260647.db2.gz FRMZTDGPQMSCRK-UHFFFAOYSA-N 0 0 313.180 4.073 50 0 DIAARN COc1ccc(C(=O)Nc2cc(C(C)C)c(OC)cc2C)cc1 ZINC000000471303 563260763 /nfs/dbraw/zinc/26/07/63/563260763.db2.gz WJAYXJCXNYVGHE-UHFFFAOYSA-N 0 0 313.397 4.388 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000473207 563261378 /nfs/dbraw/zinc/26/13/78/563261378.db2.gz XWCDQFJEPHZKCD-RMKNXTFCSA-N 0 0 305.736 4.140 50 0 DIAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F ZINC000000475420 563261581 /nfs/dbraw/zinc/26/15/81/563261581.db2.gz KHWRBJISXWOSOZ-UHFFFAOYSA-N 0 0 314.143 4.150 50 0 DIAARN COc1ccc(NC(=O)C[C@H](c2ccco2)c2ccccc2)cc1 ZINC000000477141 563262189 /nfs/dbraw/zinc/26/21/89/563262189.db2.gz SHQUFGBVFJLWPW-SFHVURJKSA-N 0 0 321.376 4.449 50 0 DIAARN O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(F)c1 ZINC000000476610 563262242 /nfs/dbraw/zinc/26/22/42/563262242.db2.gz FOFABDOQSCNGLD-RMKNXTFCSA-N 0 0 320.161 4.240 50 0 DIAARN Cc1ccc(C(=O)OCC(=O)c2cccc3ccccc32)cc1 ZINC000000482397 563262844 /nfs/dbraw/zinc/26/28/44/563262844.db2.gz ZKUPPBKMSFHUBD-UHFFFAOYSA-N 0 0 304.345 4.188 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc([C@H](O)c3ccccc3)c2)cc1 ZINC000000482094 563262964 /nfs/dbraw/zinc/26/29/64/563262964.db2.gz CVWCFLJVTABREW-HXUWFJFHSA-N 0 0 317.388 4.329 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000000498182 563263668 /nfs/dbraw/zinc/26/36/68/563263668.db2.gz IWDOMEJRUPOFKL-UHFFFAOYSA-N 0 0 315.372 4.478 50 0 DIAARN Cc1ccc(C)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000514755 563264347 /nfs/dbraw/zinc/26/43/47/563264347.db2.gz LSVUCCRLBIPTBQ-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCc1cc(OCCn2cnc3ccccc32)ccc1Cl ZINC000000527769 563264602 /nfs/dbraw/zinc/26/46/02/563264602.db2.gz QRLRMZKTNBIMMY-UHFFFAOYSA-N 0 0 300.789 4.331 50 0 DIAARN Cc1cccc(CSc2nnc(-c3cccs3)n2C)c1 ZINC000000523849 563264623 /nfs/dbraw/zinc/26/46/23/563264623.db2.gz PMKKYYBGMZFSRT-UHFFFAOYSA-N 0 0 301.440 4.144 50 0 DIAARN Clc1ccc(-c2csc3ncnc(-n4ccnc4)c23)cc1 ZINC000000528976 563264678 /nfs/dbraw/zinc/26/46/78/563264678.db2.gz SSYRECMLVWAZPJ-UHFFFAOYSA-N 0 0 312.785 4.197 50 0 DIAARN Cc1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000000530772 563264900 /nfs/dbraw/zinc/26/49/00/563264900.db2.gz KQKBPPZROULMPQ-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN O=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)C12CCCCC2 ZINC000000533139 563265637 /nfs/dbraw/zinc/26/56/37/563265637.db2.gz CMGWOXVVGCJYDU-WIYYLYMNSA-N 0 0 322.404 4.123 50 0 DIAARN c1ccc(-c2nc(-n3nc4ccccc4n3)nc3ccccc32)cc1 ZINC000000553235 563266237 /nfs/dbraw/zinc/26/62/37/563266237.db2.gz FUEKKKRYEHFNRK-UHFFFAOYSA-N 0 0 323.359 4.031 50 0 DIAARN C[C@H](SCc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000000563103 563266578 /nfs/dbraw/zinc/26/65/78/563266578.db2.gz INCMHLTWPPVDTQ-NSHDSACASA-N 0 0 307.365 4.225 50 0 DIAARN CC1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000000559758 563266588 /nfs/dbraw/zinc/26/65/88/563266588.db2.gz RGQMWGMSIVODDZ-UHFFFAOYSA-N 0 0 308.425 4.104 50 0 DIAARN C[C@@H](SCc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000000563104 563266624 /nfs/dbraw/zinc/26/66/24/563266624.db2.gz INCMHLTWPPVDTQ-LLVKDONJSA-N 0 0 307.365 4.225 50 0 DIAARN CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000000571686 563267586 /nfs/dbraw/zinc/26/75/86/563267586.db2.gz CEMPJGJOSOHPBX-UHFFFAOYSA-N 0 0 321.467 4.333 50 0 DIAARN Cc1cc2ncn(CC(=O)N(c3ccccc3)C(C)C)c2cc1C ZINC000000572573 563267839 /nfs/dbraw/zinc/26/78/39/563267839.db2.gz IHEWSUQLGWRFAI-UHFFFAOYSA-N 0 0 321.424 4.095 50 0 DIAARN O=C(c1cn(CCOc2ccccc2)c2ccccc12)C1CC1 ZINC000000578882 563267918 /nfs/dbraw/zinc/26/79/18/563267918.db2.gz JWRITIWQTWZZFC-UHFFFAOYSA-N 0 0 305.377 4.313 50 0 DIAARN Cc1cccc(-c2noc(COc3ccccc3Cl)n2)c1 ZINC000000614191 563269394 /nfs/dbraw/zinc/26/93/94/563269394.db2.gz BUYXZNSQIVUOJM-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN O=C(CSc1ccccn1)Nc1cc(Cl)cc(Cl)c1 ZINC000000612627 563269424 /nfs/dbraw/zinc/26/94/24/563269424.db2.gz VGORMHUUZSWCER-UHFFFAOYSA-N 0 0 313.209 4.119 50 0 DIAARN CCOc1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 ZINC000000612292 563269459 /nfs/dbraw/zinc/26/94/59/563269459.db2.gz RKEMHNJCRZWKLU-UHFFFAOYSA-N 0 0 304.390 4.342 50 0 DIAARN CC(=O)c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1 ZINC000000613099 563269472 /nfs/dbraw/zinc/26/94/72/563269472.db2.gz QHYZLADUWAFPGP-UHFFFAOYSA-N 0 0 310.378 4.462 50 0 DIAARN Cc1ccc(C(=O)N(C)c2ccccc2)cc1Br ZINC000000615352 563270129 /nfs/dbraw/zinc/27/01/29/563270129.db2.gz KRKADIPFHWXYIP-UHFFFAOYSA-N 0 0 304.187 4.034 50 0 DIAARN CCOc1ccccc1C(=O)Nc1nnc(C(CC)CC)s1 ZINC000000617306 563270191 /nfs/dbraw/zinc/27/01/91/563270191.db2.gz SSZOFIQYMWCNTA-UHFFFAOYSA-N 0 0 319.430 4.093 50 0 DIAARN COc1ccccc1CNC(=O)c1ccccc1-c1ccccc1 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ZINC000000133726 563446732 /nfs/dbraw/zinc/44/67/32/563446732.db2.gz OLVQXFYURKAMJA-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN COc1ccc(OCc2nc3ccccc3n2CC(C)C)cc1 ZINC000000118452 563446951 /nfs/dbraw/zinc/44/69/51/563446951.db2.gz RDOBOCAEOAAIBX-UHFFFAOYSA-N 0 0 310.397 4.280 50 0 DIAARN CCOC(=O)c1c(C)n(C)c2cc(Nc3ccccc3)c(O)cc21 ZINC000000286999 563447537 /nfs/dbraw/zinc/44/75/37/563447537.db2.gz DWEIAMLKRHTLSK-UHFFFAOYSA-N 0 0 324.380 4.113 50 0 DIAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000012382712 563448956 /nfs/dbraw/zinc/44/89/56/563448956.db2.gz CVTMACODMAQMGY-UHFFFAOYSA-N 0 0 317.772 4.158 50 0 DIAARN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)c1ccccc1 ZINC000004845089 563449895 /nfs/dbraw/zinc/44/98/95/563449895.db2.gz SALPJSYTWMGGKL-OAHLLOKOSA-N 0 0 321.376 4.262 50 0 DIAARN O=C(NC(=O)c1cccc2ccccc21)Nc1cccc(Cl)c1 ZINC000023115234 563449898 /nfs/dbraw/zinc/44/98/98/563449898.db2.gz ZMXBHWYQKWLLDT-UHFFFAOYSA-N 0 0 324.767 4.455 50 0 DIAARN O=C(CSCc1nc2ccccc2s1)Nc1ccccc1 ZINC000011101609 563450424 /nfs/dbraw/zinc/45/04/24/563450424.db2.gz QBIAJCNTCWOIPT-UHFFFAOYSA-N 0 0 314.435 4.168 50 0 DIAARN CC(C)CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)nc1 ZINC000034840328 563452007 /nfs/dbraw/zinc/45/20/07/563452007.db2.gz BCOFCCZWMWPTQI-UHFFFAOYSA-N 0 0 306.312 4.137 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2Cc2cc(F)ccc2F)on1 ZINC000035511287 563452731 /nfs/dbraw/zinc/45/27/31/563452731.db2.gz UTERYZJGANJIQB-INIZCTEOSA-N 0 0 306.356 4.413 50 0 DIAARN COCCCNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000035561724 563453509 /nfs/dbraw/zinc/45/35/09/563453509.db2.gz CWTOHGVQDXOKRI-INIZCTEOSA-N 0 0 324.852 4.003 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2F)c1 ZINC000036620438 563456007 /nfs/dbraw/zinc/45/60/07/563456007.db2.gz LNCHQZIPQVRSTD-KRWDZBQOSA-N 0 0 314.360 4.203 50 0 DIAARN O=C(Cc1ccccc1)c1c[nH]c2ccc(Br)cc12 ZINC000037364139 563457694 /nfs/dbraw/zinc/45/76/94/563457694.db2.gz VHMKKWGDNCIPDO-UHFFFAOYSA-N 0 0 314.182 4.356 50 0 DIAARN Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl ZINC000037441142 563458283 /nfs/dbraw/zinc/45/82/83/563458283.db2.gz QJGXAKBXSJVXDR-UHFFFAOYSA-N 0 0 322.593 4.228 50 0 DIAARN Cc1ccc(C2CC(=O)N(c3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000032985317 563458605 /nfs/dbraw/zinc/45/86/05/563458605.db2.gz QZSDOMKHEQFDJL-UHFFFAOYSA-N 0 0 307.393 4.049 50 0 DIAARN Cc1ccc(C2CC(=O)N(c3ccc(C)c(C)c3)C(=O)C2)cc1 ZINC000032985313 563458709 /nfs/dbraw/zinc/45/87/09/563458709.db2.gz WCVFTCJXHMRTLD-UHFFFAOYSA-N 0 0 307.393 4.049 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC000032988912 563458930 /nfs/dbraw/zinc/45/89/30/563458930.db2.gz SYIXXAUZHSYIJJ-UHFFFAOYSA-N 0 0 311.381 4.199 50 0 DIAARN CC(C)c1csc(-c2ccc(CNC(=O)C3CCC3)cc2)n1 ZINC000097938137 563460967 /nfs/dbraw/zinc/46/09/67/563460967.db2.gz LWHRXBWWBDYBPK-UHFFFAOYSA-N 0 0 314.454 4.350 50 0 DIAARN Cc1cc(Br)cnc1N1CCCc2ccccc21 ZINC000042783646 563461200 /nfs/dbraw/zinc/46/12/00/563461200.db2.gz XHWIHOSUONLAAE-UHFFFAOYSA-N 0 0 303.203 4.237 50 0 DIAARN CC(=O)Nc1c(C)cc(C)cc1NC(=O)c1cc2ccccc2o1 ZINC000045222015 563464644 /nfs/dbraw/zinc/46/46/44/563464644.db2.gz ICJIZGNTJAZBIW-UHFFFAOYSA-N 0 0 322.364 4.260 50 0 DIAARN O=C(Cc1cccc(F)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000072313219 563465375 /nfs/dbraw/zinc/46/53/75/563465375.db2.gz PJQYGPDOXISMKX-SFHVURJKSA-N 0 0 315.363 4.261 50 0 DIAARN O=C(Cc1ccccc1)NC1(Cc2ccccc2)CCCCC1 ZINC000071767022 563465790 /nfs/dbraw/zinc/46/57/90/563465790.db2.gz JJIFVWFSBPFRNN-UHFFFAOYSA-N 0 0 307.437 4.291 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)on1 ZINC000047326087 563465948 /nfs/dbraw/zinc/46/59/48/563465948.db2.gz MGNAFUWGHLGYCI-CQSZACIVSA-N 0 0 319.792 4.314 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000047324974 563466146 /nfs/dbraw/zinc/46/61/46/563466146.db2.gz XTIHDUHLYIMLGH-CQSZACIVSA-N 0 0 319.792 4.314 50 0 DIAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)c(C)c1 ZINC000053943993 563469729 /nfs/dbraw/zinc/46/97/29/563469729.db2.gz HVTKHTKNZADURS-UHFFFAOYSA-N 0 0 320.392 4.449 50 0 DIAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(N=O)c2ccccc21 ZINC000004616592 563469778 /nfs/dbraw/zinc/46/97/78/563469778.db2.gz TVSOZIYRALRJMJ-FZKQIMNGSA-N 0 0 309.369 4.061 50 0 DIAARN C/C=C/CC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000055100406 563470772 /nfs/dbraw/zinc/47/07/72/563470772.db2.gz VFBDIQHGPJIRIX-ONEGZZNKSA-N 0 0 308.381 4.152 50 0 DIAARN CCCN(Cc1nc2ccccc2n1C(C)C)Cc1cccnc1 ZINC000055283693 563474047 /nfs/dbraw/zinc/47/40/47/563474047.db2.gz AALOPZUXUAGBDK-UHFFFAOYSA-N 0 0 322.456 4.424 50 0 DIAARN CCCSCC(=O)N(Cc1ccc(C)s1)C1CCCC1 ZINC000055344018 563474596 /nfs/dbraw/zinc/47/45/96/563474596.db2.gz CTYYHFQURHMCEB-UHFFFAOYSA-N 0 0 311.516 4.471 50 0 DIAARN Fc1ccc(CNc2cccc3[nH]c(C(F)(F)F)nc32)cc1 ZINC000004626110 563477611 /nfs/dbraw/zinc/47/76/11/563477611.db2.gz AFCGITZRNNYNKV-UHFFFAOYSA-N 0 0 309.266 4.333 50 0 DIAARN C[C@@H](N[C@H](C)c1ccncc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000095427061 563477784 /nfs/dbraw/zinc/47/77/84/563477784.db2.gz ZTAAURZINKAKGE-GHMZBOCLSA-N 0 0 300.793 4.023 50 0 DIAARN Cc1cnn(CC2CC2)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000058343555 563478656 /nfs/dbraw/zinc/47/86/56/563478656.db2.gz FIVWCGMASBPULY-UHFFFAOYSA-N 0 0 324.211 4.161 50 0 DIAARN COc1cc2c3c(n[nH]c3-c3ccccc3)nc(C)c2cc1OC ZINC000000008959 563479177 /nfs/dbraw/zinc/47/91/77/563479177.db2.gz LSSPTJCPERASES-UHFFFAOYSA-N 0 0 319.364 4.104 50 0 DIAARN CC1(C)C=CN(c2ccc(Oc3ccccc3)cc2)C(=S)N1 ZINC000059124558 563479403 /nfs/dbraw/zinc/47/94/03/563479403.db2.gz KAMMGVVPXXODSI-UHFFFAOYSA-N 0 0 310.422 4.466 50 0 DIAARN CCSc1ccc(NC(=O)C2(c3ccccc3)CCC2)cn1 ZINC000058427227 563479524 /nfs/dbraw/zinc/47/95/24/563479524.db2.gz HTTKHHKUKAEGFP-UHFFFAOYSA-N 0 0 312.438 4.254 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000061946864 563481184 /nfs/dbraw/zinc/48/11/84/563481184.db2.gz WYZDXEKUWRCKOB-UIUSIFNCSA-N 0 0 304.474 4.349 50 0 DIAARN CCOC[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 ZINC000096448448 563483136 /nfs/dbraw/zinc/48/31/36/563483136.db2.gz CEIJCNVKYQTAJE-KGLIPLIRSA-N 0 0 322.474 4.001 50 0 DIAARN C[C@@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478830 563484561 /nfs/dbraw/zinc/48/45/61/563484561.db2.gz RAEJFVAKNNPRJS-BMLIUANNSA-N 0 0 306.331 4.301 50 0 DIAARN C[C@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 ZINC000096478893 563484742 /nfs/dbraw/zinc/48/47/42/563484742.db2.gz QOBIWRZHAAGKPX-RISCZKNCSA-N 0 0 314.376 4.010 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)on1 ZINC000064985161 563486738 /nfs/dbraw/zinc/48/67/38/563486738.db2.gz GOQWGEHQZUSWTN-OAHLLOKOSA-N 0 0 317.364 4.054 50 0 DIAARN CCc1cc([C@@H]2CCCN2Cc2ccc(SC)cc2)on1 ZINC000064984385 563486968 /nfs/dbraw/zinc/48/69/68/563486968.db2.gz MZXYKJZGOCUIFW-INIZCTEOSA-N 0 0 302.443 4.296 50 0 DIAARN O=C(C1CCCC1)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000067742825 563490256 /nfs/dbraw/zinc/49/02/56/563490256.db2.gz JDAOZYMUYIQFKJ-MRXNPFEDSA-N 0 0 303.421 4.187 50 0 DIAARN CC(=O)c1c(C)cc(C)c(-c2nccn2Cc2ccccn2)c1C ZINC000067773932 563490597 /nfs/dbraw/zinc/49/05/97/563490597.db2.gz CLUZNIGZBYXYLR-UHFFFAOYSA-N 0 0 319.408 4.121 50 0 DIAARN Cc1ccc(-c2nccn2[C@@H](C)c2nccs2)c(C)c1F ZINC000067786788 563490772 /nfs/dbraw/zinc/49/07/72/563490772.db2.gz QHKRRGVIVQEFKL-LBPRGKRZSA-N 0 0 301.390 4.372 50 0 DIAARN CCCc1nccn1Cc1nc(-c2sccc2C)oc1C ZINC000067803782 563491215 /nfs/dbraw/zinc/49/12/15/563491215.db2.gz XINVKGJMERIJFD-UHFFFAOYSA-N 0 0 301.415 4.217 50 0 DIAARN CNC(=O)c1cc(-c2cccc([C@@H](C)OC)c2)ccc1Cl ZINC000067819074 563491285 /nfs/dbraw/zinc/49/12/85/563491285.db2.gz QHMMMKKHNIORPN-LLVKDONJSA-N 0 0 303.789 4.074 50 0 DIAARN CNc1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cc1C(=O)[O-] ZINC000067805096 563491400 /nfs/dbraw/zinc/49/14/00/563491400.db2.gz BQISTKLSJUAVJQ-CQSZACIVSA-N 0 0 324.424 4.250 50 0 DIAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H](C)c1nccs1 ZINC000067934154 563492883 /nfs/dbraw/zinc/49/28/83/563492883.db2.gz JSVGDLYXAZMDNY-GFCCVEGCSA-N 0 0 313.426 4.074 50 0 DIAARN COc1cc2c(cc1C(C)=O)n(-c1ccccc1)c(C)c2C(C)=O ZINC000068755341 563495786 /nfs/dbraw/zinc/49/57/86/563495786.db2.gz JTHVOPSPEPGCBU-UHFFFAOYSA-N 0 0 321.376 4.353 50 0 DIAARN Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1 ZINC000068741151 563495815 /nfs/dbraw/zinc/49/58/15/563495815.db2.gz SADMGZAEISPPFX-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 DIAARN CCc1cc2c(ncnc2N(C)c2cc(C)ccc2OC)s1 ZINC000033078203 563496549 /nfs/dbraw/zinc/49/65/49/563496549.db2.gz CXNBCZCZBWPNCP-UHFFFAOYSA-N 0 0 313.426 4.339 50 0 DIAARN COc1cc(C)nc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000033129283 563497297 /nfs/dbraw/zinc/49/72/97/563497297.db2.gz MMUAMKAXVRIEKM-UHFFFAOYSA-N 0 0 307.353 4.196 50 0 DIAARN CC(C)(C)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000070461141 563497920 /nfs/dbraw/zinc/49/79/20/563497920.db2.gz UTRWTYKOWAWHQS-MRXNPFEDSA-N 0 0 317.816 4.406 50 0 DIAARN Cc1ccnc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000000030243 563498895 /nfs/dbraw/zinc/49/88/95/563498895.db2.gz ZDFIHABQCCBDPQ-UHFFFAOYSA-N 0 0 316.360 4.266 50 0 DIAARN C[C@H](Nc1nccc(CCC(F)(F)F)n1)c1ccc(F)cc1 ZINC000071771301 563500405 /nfs/dbraw/zinc/50/04/05/563500405.db2.gz FGMBPWUCYNNYSY-JTQLQIEISA-N 0 0 313.298 4.284 50 0 DIAARN CSc1ccc(-c2nccn2CCc2scnc2C)cc1 ZINC000071757230 563500860 /nfs/dbraw/zinc/50/08/60/563500860.db2.gz SZLLRISORIBAGU-UHFFFAOYSA-N 0 0 315.467 4.280 50 0 DIAARN FC(F)(F)Oc1ccc(Br)cc1Br ZINC000071792152 563501454 /nfs/dbraw/zinc/50/14/54/563501454.db2.gz KKHVOILWGQCNJL-UHFFFAOYSA-N 0 0 319.902 4.110 50 0 DIAARN Cc1cc(C)c2nc(C)cc(C(=O)NCCc3ccccc3)c2c1 ZINC000033252864 563502241 /nfs/dbraw/zinc/50/22/41/563502241.db2.gz XPNYCWJTPNUTMX-UHFFFAOYSA-N 0 0 318.420 4.133 50 0 DIAARN Brc1ccc2nc(NCc3ccco3)sc2c1 ZINC000075172867 563504859 /nfs/dbraw/zinc/50/48/59/563504859.db2.gz BYVIQGAQNBVOCN-UHFFFAOYSA-N 0 0 309.188 4.264 50 0 DIAARN C[C@H](NCc1nc2ccccc2o1)c1ncc(-c2ccccc2)o1 ZINC000097112334 563506673 /nfs/dbraw/zinc/50/66/73/563506673.db2.gz YTRYNVMCWASWLY-ZDUSSCGKSA-N 0 0 319.364 4.334 50 0 DIAARN Cc1ccccc1-c1nc(CNCc2ccc([C@@H]3C[C@H]3C)o2)no1 ZINC000097164460 563507477 /nfs/dbraw/zinc/50/74/77/563507477.db2.gz HGJOLKKERRFZTB-CZUORRHYSA-N 0 0 323.396 4.051 50 0 DIAARN O=C(c1cccc(F)c1F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077437625 563510287 /nfs/dbraw/zinc/51/02/87/563510287.db2.gz XGHYYJHKCSRDAO-INIZCTEOSA-N 0 0 319.326 4.471 50 0 DIAARN CCc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000077487878 563510898 /nfs/dbraw/zinc/51/08/98/563510898.db2.gz WXIZKBFQMNEDNM-OAHLLOKOSA-N 0 0 316.376 4.052 50 0 DIAARN COCCC[C@H]1CCCCN1C(=O)Nc1ccc(SC)cc1 ZINC000077471880 563511164 /nfs/dbraw/zinc/51/11/64/563511164.db2.gz NDFXWCLRUBBFEW-OAHLLOKOSA-N 0 0 322.474 4.222 50 0 DIAARN C[C@@H](Nc1cccc(OCc2cscn2)c1)c1ccco1 ZINC000097232232 563514810 /nfs/dbraw/zinc/51/48/10/563514810.db2.gz BDSKOPPRTWYZLV-GFCCVEGCSA-N 0 0 300.383 4.488 50 0 DIAARN Fc1ccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)cc1 ZINC000098010061 563515054 /nfs/dbraw/zinc/51/50/54/563515054.db2.gz ZCWALGCGVOOTOM-WDZFZDKYSA-N 0 0 322.368 4.162 50 0 DIAARN CCc1nnc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)s1 ZINC000033316319 563519589 /nfs/dbraw/zinc/51/95/89/563519589.db2.gz RTEYIDKUZNNZEO-FLIBITNWSA-N 0 0 315.442 4.050 50 0 DIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000084923915 563520622 /nfs/dbraw/zinc/52/06/22/563520622.db2.gz NNTFSKVPDHOQGX-QRQLOZEOSA-N 0 0 319.404 4.068 50 0 DIAARN CCN(CC)c1ccc(NC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000033321371 563521037 /nfs/dbraw/zinc/52/10/37/563521037.db2.gz UUOKPJZLLBLEMZ-NVNXTCNLSA-N 0 0 324.424 4.193 50 0 DIAARN Cc1ccccc1C(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585146845 563521072 /nfs/dbraw/zinc/52/10/72/563521072.db2.gz ZEGXVZLQCLBRRW-OAHLLOKOSA-N 0 0 311.406 4.211 50 0 DIAARN O=C(NC[C@@H](c1ccco1)c1cccs1)Nc1cccs1 ZINC000585146715 563521463 /nfs/dbraw/zinc/52/14/63/563521463.db2.gz GSJZNLDLTXDEBP-NSHDSACASA-N 0 0 318.423 4.356 50 0 DIAARN CC(C)(C)NC(=O)c1ccc(Br)c2ccccc12 ZINC000085477117 563521476 /nfs/dbraw/zinc/52/14/76/563521476.db2.gz ZXJPHSBFWIQERU-UHFFFAOYSA-N 0 0 306.203 4.131 50 0 DIAARN Brc1ccc(-c2nnc3ccc4ccccc4n32)cc1 ZINC000000076983 563523415 /nfs/dbraw/zinc/52/34/15/563523415.db2.gz NDSPDJUAAGYVGQ-UHFFFAOYSA-N 0 0 324.181 4.312 50 0 DIAARN O=C(Nc1cccc(Cl)c1)Oc1ccc2oc(=O)sc2c1 ZINC000000081114 563525003 /nfs/dbraw/zinc/52/50/03/563525003.db2.gz NIRVQTRKRRWYNN-UHFFFAOYSA-N 0 0 321.741 4.119 50 0 DIAARN Cc1nc2ncccn2c1-c1csc(Nc2cccc(C)c2)n1 ZINC000000084401 563525020 /nfs/dbraw/zinc/52/50/20/563525020.db2.gz TWQIHXFRVKMKFK-UHFFFAOYSA-N 0 0 321.409 4.213 50 0 DIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)cc1Cl)C2 ZINC000011376539 563525050 /nfs/dbraw/zinc/52/50/50/563525050.db2.gz VDRQZKUENBGMAY-HNNXBMFYSA-N 0 0 321.804 4.443 50 0 DIAARN Cc1ccc(F)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000011425825 563526300 /nfs/dbraw/zinc/52/63/00/563526300.db2.gz DJMPTRBMFBKLJE-UHFFFAOYSA-N 0 0 324.355 4.360 50 0 DIAARN Cc1noc(C)c1CSc1ncnc2sc(C)c(C)c21 ZINC000000087841 563526774 /nfs/dbraw/zinc/52/67/74/563526774.db2.gz CQTOMTCOYNJBQP-UHFFFAOYSA-N 0 0 305.428 4.205 50 0 DIAARN CC[C@@H](C)[C@@H](N)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000009764266 563526875 /nfs/dbraw/zinc/52/68/75/563526875.db2.gz ALDQXBYSACIHTH-BXKDBHETSA-N 0 0 311.838 4.061 50 0 DIAARN Cc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1 ZINC000000089011 563527773 /nfs/dbraw/zinc/52/77/73/563527773.db2.gz GULQDIGCAOVCEH-UHFFFAOYSA-N 0 0 317.824 4.322 50 0 DIAARN Clc1cccc2c(-c3nc([C@@H]4CCOC4)no3)cccc12 ZINC000096163417 563534768 /nfs/dbraw/zinc/53/47/68/563534768.db2.gz OMEXBDGFDRYROQ-SNVBAGLBSA-N 0 0 300.745 4.047 50 0 DIAARN Cc1ccc2nsnc2c1NC(=O)c1ccc2ccccc2c1 ZINC000000097645 563536662 /nfs/dbraw/zinc/53/66/62/563536662.db2.gz WBOUCNMABAGSRJ-UHFFFAOYSA-N 0 0 319.389 4.405 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000011593278 563537031 /nfs/dbraw/zinc/53/70/31/563537031.db2.gz KIDGHMVIPKCHTR-UHFFFAOYSA-N 0 0 321.355 4.141 50 0 DIAARN Cc1cc(N[C@@H](c2ccncc2)C(C)C)nc(-c2ccccn2)n1 ZINC000072948245 563538621 /nfs/dbraw/zinc/53/86/21/563538621.db2.gz QDLZIYGIGZUQHV-GOSISDBHSA-N 0 0 319.412 4.051 50 0 DIAARN CCOC(=O)c1cc2cc(Cl)cc(Br)c2o1 ZINC000097439042 563539611 /nfs/dbraw/zinc/53/96/11/563539611.db2.gz RNFVXYWNOPUQSZ-UHFFFAOYSA-N 0 0 303.539 4.025 50 0 DIAARN Cc1ccc(-c2cccc(CN3CCC[C@@H]3c3nnc(C)[nH]3)c2)o1 ZINC000097578621 563540236 /nfs/dbraw/zinc/54/02/36/563540236.db2.gz LZJURDKOOSNUCH-QGZVFWFLSA-N 0 0 322.412 4.019 50 0 DIAARN COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000097756911 563541616 /nfs/dbraw/zinc/54/16/16/563541616.db2.gz ASKZCUOWBYWAIF-UHFFFAOYSA-N 0 0 314.234 4.178 50 0 DIAARN Cc1cc([C@@H]2CCCCN2Cc2coc(-c3ccccc3)n2)no1 ZINC000097785559 563542836 /nfs/dbraw/zinc/54/28/36/563542836.db2.gz CTGGOUPJHRMMBN-SFHVURJKSA-N 0 0 323.396 4.365 50 0 DIAARN CCN(C(=O)c1occc1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000072303442 563543240 /nfs/dbraw/zinc/54/32/40/563543240.db2.gz IQDCOVAVILKKRN-QGZVFWFLSA-N 0 0 317.404 4.457 50 0 DIAARN Cc1ccc2c(c1)[C@H](Cc1ccccc1Br)C(=O)N2 ZINC000101016684 563555797 /nfs/dbraw/zinc/55/57/97/563555797.db2.gz MUCOTTNBENIGIG-ZDUSSCGKSA-N 0 0 316.198 4.036 50 0 DIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 ZINC000101078557 563556244 /nfs/dbraw/zinc/55/62/44/563556244.db2.gz NGNHDKYUZUOJMK-IYBDPMFKSA-N 0 0 319.360 4.266 50 0 DIAARN C[N@@H+](c1ccccc1)n1c([O-])c(-c2ccccc2)c2ccccc21 ZINC000101357747 563556880 /nfs/dbraw/zinc/55/68/80/563556880.db2.gz RIMRFRIWBMOQBD-FQEVSTJZSA-N 0 0 314.388 4.217 50 0 DIAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1nccs1 ZINC000011666864 563559067 /nfs/dbraw/zinc/55/90/67/563559067.db2.gz RWMBPXWXMUBJLE-UHFFFAOYSA-N 0 0 316.357 4.114 50 0 DIAARN Cc1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 ZINC000102598840 563559862 /nfs/dbraw/zinc/55/98/62/563559862.db2.gz HGMFBLPKHROMTQ-BHIYHBOVSA-N 0 0 319.404 4.068 50 0 DIAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccccn1 ZINC000014375630 563566919 /nfs/dbraw/zinc/56/69/19/563566919.db2.gz OKLBHOHGZBYMKG-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN COc1cccc(CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000014495958 563567573 /nfs/dbraw/zinc/56/75/73/563567573.db2.gz ZJPVMIJCVKZUSI-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN CC(C)CC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000000103542 563568455 /nfs/dbraw/zinc/56/84/55/563568455.db2.gz HERNGTNCPVDZMF-UHFFFAOYSA-N 0 0 317.458 4.487 50 0 DIAARN O=C(Nc1ccccc1F)/C(Br)=C/c1ccccc1 ZINC000000113582 563570374 /nfs/dbraw/zinc/57/03/74/563570374.db2.gz YTPVPXINRINGGS-BENRWUELSA-N 0 0 320.161 4.200 50 0 DIAARN COc1cccc(-c2cc(Br)ccc2F)c1OC ZINC000725264261 563570864 /nfs/dbraw/zinc/57/08/64/563570864.db2.gz SLZRGWQRLZSVET-UHFFFAOYSA-N 0 0 311.150 4.272 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1nc2c(cccc2C)s1 ZINC000000115180 563571022 /nfs/dbraw/zinc/57/10/22/563571022.db2.gz CWNNQCSZPOLGKD-ZHACJKMWSA-N 0 0 324.405 4.265 50 0 DIAARN CCCSc1nnc(C)c(C=CNc2ccc(C)cc2)n1 ZINC000100185986 563571776 /nfs/dbraw/zinc/57/17/76/563571776.db2.gz XYOCJWNFTVQVOD-MDZDMXLPSA-N 0 0 300.431 4.073 50 0 DIAARN COc1cccc2c(Nc3ccc4c(c3)OCCO4)cc(C)nc12 ZINC000000142073 563572601 /nfs/dbraw/zinc/57/26/01/563572601.db2.gz YFSUVKNRVAXITR-UHFFFAOYSA-N 0 0 322.364 4.067 50 0 DIAARN O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 ZINC000000139522 563572747 /nfs/dbraw/zinc/57/27/47/563572747.db2.gz ODENSRVZLGFMCT-UHFFFAOYSA-N 0 0 313.788 4.186 50 0 DIAARN CCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000000145069 563573190 /nfs/dbraw/zinc/57/31/90/563573190.db2.gz QWMOLWHLMKTHGS-UHFFFAOYSA-N 0 0 304.802 4.188 50 0 DIAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2C)n1 ZINC000000145900 563573236 /nfs/dbraw/zinc/57/32/36/563573236.db2.gz PBVAEQNUOHTHQV-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN COc1ccc2ncc(C(=O)Nc3ccccc3)c(Cl)c2c1 ZINC000000149363 563573338 /nfs/dbraw/zinc/57/33/38/563573338.db2.gz JXVGHAQKNGSUCD-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN FC(F)(F)Oc1ccc(-n2cccc2)c(Br)c1 ZINC000000165467 563574015 /nfs/dbraw/zinc/57/40/15/563574015.db2.gz ZZIRXJAMGNTMSC-UHFFFAOYSA-N 0 0 306.081 4.138 50 0 DIAARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1Cl ZINC000000172579 563574535 /nfs/dbraw/zinc/57/45/35/563574535.db2.gz HWLQRWOKSNCENW-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C1OC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1Cl ZINC000000178371 563575093 /nfs/dbraw/zinc/57/50/93/563575093.db2.gz NZPIULBALTYFBM-LCYFTJDESA-N 0 0 318.159 4.338 50 0 DIAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccccc1 ZINC000000176302 563575133 /nfs/dbraw/zinc/57/51/33/563575133.db2.gz SWACTNBIMIRAES-ZSOIEALJSA-N 0 0 318.159 4.338 50 0 DIAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2ccccc2)o1 ZINC000000194263 563576798 /nfs/dbraw/zinc/57/67/98/563576798.db2.gz QCZKOIYGBDFYPI-UHFFFAOYSA-N 0 0 324.723 4.163 50 0 DIAARN Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1 ZINC000000192141 563577530 /nfs/dbraw/zinc/57/75/30/563577530.db2.gz SDRPTDZWTZMEFI-UHFFFAOYSA-N 0 0 315.379 4.060 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc12 ZINC000000205053 563577791 /nfs/dbraw/zinc/57/77/91/563577791.db2.gz CGUBWIRRGGJLSA-UHFFFAOYSA-N 0 0 314.335 4.326 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 ZINC000000205877 563578145 /nfs/dbraw/zinc/57/81/45/563578145.db2.gz ZTRLXLQLXMLYPZ-DLBZAZTESA-N 0 0 324.815 4.386 50 0 DIAARN CCc1ccc(N(CC)C(=O)c2coc(=O)c3ccccc23)cc1 ZINC000000211718 563578590 /nfs/dbraw/zinc/57/85/90/563578590.db2.gz MQOMEWQCJAWIKJ-UHFFFAOYSA-N 0 0 321.376 4.022 50 0 DIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217142 563578753 /nfs/dbraw/zinc/57/87/53/563578753.db2.gz RWXOSSPUSSXDCV-CQSZACIVSA-N 0 0 304.393 4.430 50 0 DIAARN CCc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222898 563579131 /nfs/dbraw/zinc/57/91/31/563579131.db2.gz MJXWIVCOGXBIOV-RTBURBONSA-N 0 0 318.424 4.295 50 0 DIAARN Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1C ZINC000000218065 563579429 /nfs/dbraw/zinc/57/94/29/563579429.db2.gz XVRQCEJKLBEHQH-UHFFFAOYSA-N 0 0 316.404 4.411 50 0 DIAARN COc1cc(O)c(-c2noc(C)c2-c2csc(C)n2)cc1C ZINC000000225101 563579601 /nfs/dbraw/zinc/57/96/01/563579601.db2.gz ZVUKFZQKFSTDPL-UHFFFAOYSA-N 0 0 316.382 4.105 50 0 DIAARN CSc1ccccc1NC(=O)COc1ccc(Cl)cc1C ZINC000000226408 563579608 /nfs/dbraw/zinc/57/96/08/563579608.db2.gz RDKNXNDFEASFEJ-UHFFFAOYSA-N 0 0 321.829 4.388 50 0 DIAARN COc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C ZINC000000235642 563580206 /nfs/dbraw/zinc/58/02/06/563580206.db2.gz AOSSPNVRJMKJNR-HXUWFJFHSA-N 0 0 307.393 4.225 50 0 DIAARN O=C(Oc1ccc2cc(Br)ccc2c1)c1ccco1 ZINC000000240846 563580845 /nfs/dbraw/zinc/58/08/45/563580845.db2.gz LHAZGUOHZOMKOE-UHFFFAOYSA-N 0 0 317.138 4.415 50 0 DIAARN CCCc1ccc(OC(=O)c2cncc(Br)c2)cc1 ZINC000000242058 563581056 /nfs/dbraw/zinc/58/10/56/563581056.db2.gz CQINIRWLZNHVPN-UHFFFAOYSA-N 0 0 320.186 4.016 50 0 DIAARN Cc1cc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000000247051 563581633 /nfs/dbraw/zinc/58/16/33/563581633.db2.gz SCPZYFLRLZAUCW-UHFFFAOYSA-N 0 0 317.454 4.338 50 0 DIAARN Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1 ZINC000000252273 563582613 /nfs/dbraw/zinc/58/26/13/563582613.db2.gz AAFKGCALDKMLQO-HNNXBMFYSA-N 0 0 319.408 4.009 50 0 DIAARN Cc1ccccc1CSCC(=O)NCc1ccccc1Cl ZINC000000260450 563583497 /nfs/dbraw/zinc/58/34/97/563583497.db2.gz SMZGHHUGEMPNLR-UHFFFAOYSA-N 0 0 319.857 4.198 50 0 DIAARN CC(C)CN1C(=S)N=NC1COc1ccc(C(C)(C)C)cc1 ZINC000011692601 563587918 /nfs/dbraw/zinc/58/79/18/563587918.db2.gz SPUHUCHVBIKPGL-UHFFFAOYSA-N 0 0 319.474 4.099 50 0 DIAARN CC(C)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000315815 563587992 /nfs/dbraw/zinc/58/79/92/563587992.db2.gz IHQBMRXLLIPTNN-BOPFTXTBSA-N 0 0 309.340 4.294 50 0 DIAARN CC(C)CNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000000323665 563588060 /nfs/dbraw/zinc/58/80/60/563588060.db2.gz KMBPPBVXRCBCQX-UHFFFAOYSA-N 0 0 310.422 4.349 50 0 DIAARN c1ccc(CCNc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000354171 563590021 /nfs/dbraw/zinc/59/00/21/563590021.db2.gz JIAZAZLJYAUUKH-UHFFFAOYSA-N 0 0 309.438 4.225 50 0 DIAARN CCN1C(=S)N(c2ccccc2)N[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000000355371 563590061 /nfs/dbraw/zinc/59/00/61/563590061.db2.gz FKKAFWOXELDWEF-KSSFIOAISA-N 0 0 317.502 4.161 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000000371537 563590779 /nfs/dbraw/zinc/59/07/79/563590779.db2.gz OZHGKLLFDSSQRW-UHFFFAOYSA-N 0 0 310.378 4.112 50 0 DIAARN CC[C@@H]1CCCCN1[C@@H]1N=CNc2sc3c(c21)CCCC3 ZINC000000376851 563591377 /nfs/dbraw/zinc/59/13/77/563591377.db2.gz LFIIOFGRYMHEMQ-WBMJQRKESA-N 0 0 303.475 4.153 50 0 DIAARN Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000000385346 563591610 /nfs/dbraw/zinc/59/16/10/563591610.db2.gz KPQGKRDMMBCBSP-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN Cc1ccc(NC(=O)NCCSCc2ccccc2)c(C)c1 ZINC000033438654 563591631 /nfs/dbraw/zinc/59/16/31/563591631.db2.gz IHZCTHAQSIXLOO-UHFFFAOYSA-N 0 0 314.454 4.358 50 0 DIAARN Cc1ccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)cc1 ZINC000033476914 563592152 /nfs/dbraw/zinc/59/21/52/563592152.db2.gz IPOWOCNDDDUWSR-XFXZXTDPSA-N 0 0 318.405 4.332 50 0 DIAARN COc1cccc(CNC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000033607433 563594930 /nfs/dbraw/zinc/59/49/30/563594930.db2.gz XKHVTHAEIXBCKW-UHFFFAOYSA-N 0 0 324.302 4.036 50 0 DIAARN CCCCOc1ccc(Cn2c3ccccc3sc2=O)cc1 ZINC000005014107 563595806 /nfs/dbraw/zinc/59/58/06/563595806.db2.gz CIKCRMYQOQLASG-UHFFFAOYSA-N 0 0 313.422 4.290 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1ccc(COc2ccccc2)o1 ZINC000005013732 563595811 /nfs/dbraw/zinc/59/58/11/563595811.db2.gz PKGRHZMXWCXECV-UHFFFAOYSA-N 0 0 311.312 4.250 50 0 DIAARN Cc1ccc(C2=C[C@@H](c3ccccc3)N3C(=O)CSC3=N2)cc1 ZINC000033751575 563596864 /nfs/dbraw/zinc/59/68/64/563596864.db2.gz QTBFBYQKRWIEFO-KRWDZBQOSA-N 0 0 320.417 4.022 50 0 DIAARN C[C@H]1C(=O)Nc2ccc(-c3csc(NC4CCCC4)n3)cc21 ZINC000100651021 563597596 /nfs/dbraw/zinc/59/75/96/563597596.db2.gz IXJSLACGEROMPG-SNVBAGLBSA-N 0 0 313.426 4.220 50 0 DIAARN Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)C(C)C)oc12 ZINC000100676455 563598086 /nfs/dbraw/zinc/59/80/86/563598086.db2.gz YYDIPHOHIPXSRY-UHFFFAOYSA-N 0 0 321.376 4.363 50 0 DIAARN COC(=O)c1cc(Nc2ccc(Cl)cc2)c2ccccc2n1 ZINC000038486572 563598888 /nfs/dbraw/zinc/59/88/88/563598888.db2.gz CGVMHSXROCGPBF-UHFFFAOYSA-N 0 0 312.756 4.418 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000011750014 563598935 /nfs/dbraw/zinc/59/89/35/563598935.db2.gz XPHBXUSWPMFRAC-UHFFFAOYSA-N 0 0 320.219 4.455 50 0 DIAARN Cc1c2cc(F)ccc2oc1C(=O)NCC1(c2ccccc2)CC1 ZINC000011750238 563599055 /nfs/dbraw/zinc/59/90/55/563599055.db2.gz KJXFLGNLUSPZAD-UHFFFAOYSA-N 0 0 323.367 4.342 50 0 DIAARN C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1cccs1 ZINC000044315247 563599436 /nfs/dbraw/zinc/59/94/36/563599436.db2.gz HXRTVNCBFSQNAR-OLZOCXBDSA-N 0 0 305.468 4.247 50 0 DIAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000011916788 563601634 /nfs/dbraw/zinc/60/16/34/563601634.db2.gz KPETZJBSVHPHAQ-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN Cc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)cc1 ZINC000011914503 563601715 /nfs/dbraw/zinc/60/17/15/563601715.db2.gz QWPMCVVEFIIKKG-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN O=C(Oc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011914864 563601757 /nfs/dbraw/zinc/60/17/57/563601757.db2.gz KNHNAMGSYZYVCB-UHFFFAOYSA-N 0 0 317.703 4.353 50 0 DIAARN Cc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 ZINC000011914628 563601906 /nfs/dbraw/zinc/60/19/06/563601906.db2.gz HJDCJRDAGGARMM-UHFFFAOYSA-N 0 0 320.367 4.376 50 0 DIAARN Cc1ccccc1C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000011914846 563601919 /nfs/dbraw/zinc/60/19/19/563601919.db2.gz BXXBFEIVGGFTBZ-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN CCn1cc([C@H](C)N[C@@H](C)c2ccccc2Br)cn1 ZINC000044496380 563603069 /nfs/dbraw/zinc/60/30/69/563603069.db2.gz KYMVBAXMWPUNGB-RYUDHWBXSA-N 0 0 322.250 4.077 50 0 DIAARN Clc1ccc(CSc2nnc(-c3cccnc3)o2)cc1 ZINC000000411432 563611491 /nfs/dbraw/zinc/61/14/91/563611491.db2.gz LCBAEKUWBPNRFM-UHFFFAOYSA-N 0 0 303.774 4.077 50 0 DIAARN CCc1nc2ccccc2c(C(=O)NCc2ccccc2)c1C ZINC000000411353 563611503 /nfs/dbraw/zinc/61/15/03/563611503.db2.gz UKUJVSJRLNQXDR-UHFFFAOYSA-N 0 0 304.393 4.036 50 0 DIAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000000447555 563614914 /nfs/dbraw/zinc/61/49/14/563614914.db2.gz LZAFSIDHZQLXIJ-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN Cc1cc(SCC(=O)Nc2ccccc2)c2ccccc2n1 ZINC000000303419 563616076 /nfs/dbraw/zinc/61/60/76/563616076.db2.gz KBQPUBIXSMHRTR-UHFFFAOYSA-N 0 0 308.406 4.274 50 0 DIAARN O=C(CCC(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000079723393 563617797 /nfs/dbraw/zinc/61/77/97/563617797.db2.gz YMSFLJHDOIHCCQ-GFCCVEGCSA-N 0 0 319.754 4.216 50 0 DIAARN CCn1c2ccccc2c2cc(NC(=O)c3cccnc3)ccc21 ZINC000002466359 563621494 /nfs/dbraw/zinc/62/14/94/563621494.db2.gz WIXVSEHUYXEISG-UHFFFAOYSA-N 0 0 315.376 4.462 50 0 DIAARN CN(Cc1ccc(Cl)s1)C(=O)Cc1c[nH]c2ccccc12 ZINC000007979660 563621623 /nfs/dbraw/zinc/62/16/23/563621623.db2.gz SNZMKLNQRLBLCQ-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN CC1=C(C)OC(=O)N(c2c(Cl)cc(Cl)cc2Cl)N1 ZINC000005426571 563621666 /nfs/dbraw/zinc/62/16/66/563621666.db2.gz UMTXMNYANGJIDG-UHFFFAOYSA-N 0 0 307.564 4.359 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000002648721 563621672 /nfs/dbraw/zinc/62/16/72/563621672.db2.gz QRMIIFRUGCOUBX-HZPDHXFCSA-N 0 0 311.425 4.456 50 0 DIAARN Cc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C ZINC000003396319 563622910 /nfs/dbraw/zinc/62/29/10/563622910.db2.gz IYGDIWCDVKWFTM-UHFFFAOYSA-N 0 0 321.342 4.295 50 0 DIAARN CC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)c2c1OCCO2 ZINC000005383127 563623581 /nfs/dbraw/zinc/62/35/81/563623581.db2.gz XTAOOCIWVJIBPV-UHFFFAOYSA-N 0 0 305.418 4.011 50 0 DIAARN CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccccn2)no1 ZINC000000469601 563624157 /nfs/dbraw/zinc/62/41/57/563624157.db2.gz BIPSDLVHLPWLLF-UHFFFAOYSA-N 0 0 315.760 4.099 50 0 DIAARN Cc1c2cc(Br)ccc2oc1C(=O)NC(C)(C)C ZINC000007238833 563624958 /nfs/dbraw/zinc/62/49/58/563624958.db2.gz KILCOBADSBITRU-UHFFFAOYSA-N 0 0 310.191 4.032 50 0 DIAARN CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000179933586 563624913 /nfs/dbraw/zinc/62/49/13/563624913.db2.gz TXYPLCIETRQINB-KRWDZBQOSA-N 0 0 317.477 4.347 50 0 DIAARN COc1ccc(C)cc1/C=C/C(=O)N[C@@H]1CCCc2ccccc21 ZINC000008077863 563625663 /nfs/dbraw/zinc/62/56/63/563625663.db2.gz TZDFVFGFDHDMDS-XSSIKURBSA-N 0 0 321.420 4.211 50 0 DIAARN Cc1nc(C2CC2)oc1C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000273641532 563626260 /nfs/dbraw/zinc/62/62/60/563626260.db2.gz UYPMORXZCYLRTP-HACGYAERSA-N 0 0 324.424 4.267 50 0 DIAARN CSc1ncccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000017369135 563627244 /nfs/dbraw/zinc/62/72/44/563627244.db2.gz MRZFEGCIDPETSB-NSHDSACASA-N 0 0 312.394 4.041 50 0 DIAARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1 ZINC000000130412 563627652 /nfs/dbraw/zinc/62/76/52/563627652.db2.gz HRSDLUQULDZNEW-UHFFFAOYSA-N 0 0 314.143 4.150 50 0 DIAARN COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000041707 563628378 /nfs/dbraw/zinc/62/83/78/563628378.db2.gz HVQZEBUNCDREEA-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN CCOC(=O)c1cnc2ccccc2c1NCc1ccccc1 ZINC000000098412 563628766 /nfs/dbraw/zinc/62/87/66/563628766.db2.gz OTYXKLPCUMOSQL-UHFFFAOYSA-N 0 0 306.365 4.024 50 0 DIAARN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OC ZINC000000280433 563629131 /nfs/dbraw/zinc/62/91/31/563629131.db2.gz QPMCWGLKVUOHAA-UHFFFAOYSA-N 0 0 309.768 4.499 50 0 DIAARN CC(C)OC(=O)N[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000003138930 563629231 /nfs/dbraw/zinc/62/92/31/563629231.db2.gz RVBRGHXSSVCIBI-SNVBAGLBSA-N 0 0 310.608 4.233 50 0 DIAARN COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 ZINC000000484165 563629860 /nfs/dbraw/zinc/62/98/60/563629860.db2.gz VCUFFWLXXIMLCC-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000513712 563630391 /nfs/dbraw/zinc/63/03/91/563630391.db2.gz XJGTZYYJKFZFAL-UHFFFAOYSA-N 0 0 316.788 4.187 50 0 DIAARN O=C(c1ccncc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206879054 563639584 /nfs/dbraw/zinc/63/95/84/563639584.db2.gz JSZGODVIOFYLQT-INIZCTEOSA-N 0 0 314.816 4.145 50 0 DIAARN CCc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000097987537 563645372 /nfs/dbraw/zinc/64/53/72/563645372.db2.gz JNLGNFALIYBHDV-LFIBNONCSA-N 0 0 311.768 4.247 50 0 DIAARN Cc1cc(C)c(NC(=O)COc2ccccc2Cl)c(C)c1 ZINC000000486857 563647358 /nfs/dbraw/zinc/64/73/58/563647358.db2.gz HKQGDUUJGJKFFA-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CC(C)Oc1ccc([C@H](CC(=O)N2CCCC2)C(C)C)cc1 ZINC000000488681 563649148 /nfs/dbraw/zinc/64/91/48/563649148.db2.gz CDFFRFDEYZWEEU-GOSISDBHSA-N 0 0 303.446 4.226 50 0 biogenic DIAARN CCc1nc2sc3c(ncnc3SC)c2c2c1CCCC2 ZINC000000502641 563653412 /nfs/dbraw/zinc/65/34/12/563653412.db2.gz ONSXXFHGRBFENW-UHFFFAOYSA-N 0 0 315.467 4.403 50 0 DIAARN O=C(N[C@@H]1CCSc2ccccc21)c1c[nH]c2ccccc12 ZINC000012805955 563653993 /nfs/dbraw/zinc/65/39/93/563653993.db2.gz LHXGKWMVKDZICB-MRXNPFEDSA-N 0 0 308.406 4.135 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(F)c3)C2)cc1 ZINC000102046982 563657757 /nfs/dbraw/zinc/65/77/57/563657757.db2.gz NPZWYLKCGCQUMZ-GOSISDBHSA-N 0 0 320.371 4.036 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3sccc3C)C2)cc1 ZINC000102046799 563657781 /nfs/dbraw/zinc/65/77/81/563657781.db2.gz RDSMCTRIPWRELI-MRXNPFEDSA-N 0 0 322.437 4.266 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)CSc2ccccc2Cl)[C@H]1C ZINC000102183269 563658638 /nfs/dbraw/zinc/65/86/38/563658638.db2.gz CYUJHOQGXMZASB-DYEKYZERSA-N 0 0 311.878 4.373 50 0 DIAARN CSc1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000515958 563661234 /nfs/dbraw/zinc/66/12/34/563661234.db2.gz ROKHJCNDEOIYPO-UHFFFAOYSA-N 0 0 313.209 4.363 50 0 DIAARN Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 ZINC000102675392 563661262 /nfs/dbraw/zinc/66/12/62/563661262.db2.gz ALINFHVWAKPEBA-UHFFFAOYSA-N 0 0 301.349 4.077 50 0 DIAARN CCCc1cc2c(cc1OC(C)=O)occ(-c1ccccc1)c2=O ZINC000000518544 563661980 /nfs/dbraw/zinc/66/19/80/563661980.db2.gz QTEXZXUEISELDK-UHFFFAOYSA-N 0 0 322.360 4.338 50 0 biogenic DIAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccs2)C1 ZINC000102752368 563662327 /nfs/dbraw/zinc/66/23/27/563662327.db2.gz IJBYEYDZUFCSNY-LBPRGKRZSA-N 0 0 316.386 4.003 50 0 DIAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2cccs2)C1 ZINC000102752371 563662426 /nfs/dbraw/zinc/66/24/26/563662426.db2.gz IJBYEYDZUFCSNY-GFCCVEGCSA-N 0 0 316.386 4.003 50 0 DIAARN CSc1nc2sc3c(c2c(Cl)n1)C[C@H](C(C)C)OC3 ZINC000000521166 563664034 /nfs/dbraw/zinc/66/40/34/563664034.db2.gz WPSFDDOLRVVJIT-MRVPVSSYSA-N 0 0 314.863 4.164 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000000520954 563664129 /nfs/dbraw/zinc/66/41/29/563664129.db2.gz RZOQKTWQEPZBEZ-HUUCEWRRSA-N 0 0 318.424 4.174 50 0 DIAARN O=C(C[C@@H](c1ccco1)c1ccc(F)cc1)NC1CCCCC1 ZINC000000522076 563664648 /nfs/dbraw/zinc/66/46/48/563664648.db2.gz MIYQYMXBYUYIOE-QGZVFWFLSA-N 0 0 315.388 4.390 50 0 DIAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1ccncc1 ZINC000000532296 563665864 /nfs/dbraw/zinc/66/58/64/563665864.db2.gz SRDLYELOJDRFGJ-UHFFFAOYSA-N 0 0 302.333 4.162 50 0 DIAARN Clc1ccccc1[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000531921 563666219 /nfs/dbraw/zinc/66/62/19/563666219.db2.gz TUUXKVQSJDVIOR-HOTGVXAUSA-N 0 0 310.788 4.078 50 0 DIAARN CC(C)Cn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000000541889 563668765 /nfs/dbraw/zinc/66/87/65/563668765.db2.gz WLINBSXGMIDSQT-UHFFFAOYSA-N 0 0 320.371 4.442 50 0 DIAARN Cc1nc2c(sc3nc(C(C)C)c4c(c32)CCCC4)c(=O)o1 ZINC000000547862 563669365 /nfs/dbraw/zinc/66/93/65/563669365.db2.gz REUFDGNJHBARAR-UHFFFAOYSA-N 0 0 314.410 4.108 50 0 DIAARN COc1ccc(-c2csc3ncnc(Cl)c23)cc1OC ZINC000000546442 563669396 /nfs/dbraw/zinc/66/93/96/563669396.db2.gz RFWFLEDZTZKMOI-UHFFFAOYSA-N 0 0 306.774 4.029 50 0 DIAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)s2)cc1C ZINC000000546896 563669453 /nfs/dbraw/zinc/66/94/53/563669453.db2.gz CXSANHSMIJRRAC-UHFFFAOYSA-N 0 0 324.409 4.466 50 0 DIAARN CC(C)c1ccc(OCC(=O)Nc2cccc3cccnc32)cc1 ZINC000000556611 563670364 /nfs/dbraw/zinc/67/03/64/563670364.db2.gz LTSUFUALJUVEGF-UHFFFAOYSA-N 0 0 320.392 4.376 50 0 DIAARN S=C1N=NC(c2cccs2)N1c1cccc2ccccc21 ZINC000000554961 563670528 /nfs/dbraw/zinc/67/05/28/563670528.db2.gz ZUJJJDSBRBEHBQ-UHFFFAOYSA-N 0 0 309.419 4.438 50 0 DIAARN CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000000567730 563671501 /nfs/dbraw/zinc/67/15/01/563671501.db2.gz UFFQVZHDIPJFDP-UHFFFAOYSA-N 0 0 308.164 4.183 50 0 DIAARN CC[C@@H](NC(=O)C[C@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036752659 563679083 /nfs/dbraw/zinc/67/90/83/563679083.db2.gz NLGGYOWEYQKNGW-GGEQCSGTSA-N 0 0 301.474 4.454 50 0 DIAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1 ZINC000012111537 563680822 /nfs/dbraw/zinc/68/08/22/563680822.db2.gz GTRDWJNKIKAOTA-UHFFFAOYSA-N 0 0 315.369 4.323 50 0 DIAARN Cc1csc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 ZINC000211143774 563682779 /nfs/dbraw/zinc/68/27/79/563682779.db2.gz SXUCOIRYNCCWHG-OAHLLOKOSA-N 0 0 317.479 4.377 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000044837586 563684767 /nfs/dbraw/zinc/68/47/67/563684767.db2.gz GFXKGXSWEIDVCU-UHFFFAOYSA-N 0 0 305.381 4.254 50 0 DIAARN CCc1ccc(NC(=O)NCc2ccc(SC)cc2)cc1 ZINC000044845403 563685482 /nfs/dbraw/zinc/68/54/82/563685482.db2.gz BUGNEMXZDVBCHI-UHFFFAOYSA-N 0 0 300.427 4.293 50 0 DIAARN COc1ccc(OC)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000044845096 563685579 /nfs/dbraw/zinc/68/55/79/563685579.db2.gz WZBPBKLMKYBAHY-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN COc1ccccc1NC(=O)NCc1ccccc1C(F)(F)F ZINC000044845660 563685648 /nfs/dbraw/zinc/68/56/48/563685648.db2.gz RSCXJJHCYCBNKI-UHFFFAOYSA-N 0 0 324.302 4.036 50 0 DIAARN O=C(NCc1ccc(F)cc1Cl)Nc1ccccc1Cl ZINC000044845540 563685766 /nfs/dbraw/zinc/68/57/66/563685766.db2.gz 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COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000000818066 563720318 /nfs/dbraw/zinc/72/03/18/563720318.db2.gz PVCXBLNOIDKVTR-HXUWFJFHSA-N 0 0 319.408 4.456 50 0 DIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 ZINC000008295963 563721193 /nfs/dbraw/zinc/72/11/93/563721193.db2.gz UNJMATAODPRTCW-UHFFFAOYSA-N 0 0 320.417 4.304 50 0 DIAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000008480297 563722242 /nfs/dbraw/zinc/72/22/42/563722242.db2.gz JVHLSASJHOLMDQ-SUMWQHHRSA-N 0 0 317.816 4.375 50 0 DIAARN c1nc(SCc2ncc(-c3ccccc3)o2)n2ccccc12 ZINC000026372510 563733225 /nfs/dbraw/zinc/73/32/25/563733225.db2.gz XKOXUMTYXKTVNM-UHFFFAOYSA-N 0 0 307.378 4.282 50 0 DIAARN CSc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000223633808 563735068 /nfs/dbraw/zinc/73/50/68/563735068.db2.gz JNNINDDKFMLONO-MRXNPFEDSA-N 0 0 301.386 4.135 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccsc2)c(Cl)c1 ZINC000225550982 563758505 /nfs/dbraw/zinc/75/85/05/563758505.db2.gz PCJYYROYDNTRPQ-UHFFFAOYSA-N 0 0 309.778 4.004 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/nfs/dbraw/zinc/77/68/10/563776810.db2.gz FNZZBNCPSHJCJP-OXJNMPFZSA-N 0 0 322.408 4.094 50 0 DIAARN Cc1cccc(C)c1[C@H](C)NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000241439970 563777568 /nfs/dbraw/zinc/77/75/68/563777568.db2.gz NNXQNFVPHWVLMV-AWEZNQCLSA-N 0 0 320.392 4.048 50 0 DIAARN CCn1ccnc1[C@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000242302359 563778493 /nfs/dbraw/zinc/77/84/93/563778493.db2.gz YRTDKYXIJWNMJI-MRXNPFEDSA-N 0 0 323.396 4.017 50 0 DIAARN Cc1ccc(F)c(C(=O)NC2(c3ccccc3)CC2)c1Cl ZINC000244716028 563778955 /nfs/dbraw/zinc/77/89/55/563778955.db2.gz LHAIUGVOMADNSC-UHFFFAOYSA-N 0 0 303.764 4.207 50 0 DIAARN Fc1cc(Br)cc(Br)c1C(F)F ZINC000263622969 563794606 /nfs/dbraw/zinc/79/46/06/563794606.db2.gz CLXDEKNZOVQIFL-UHFFFAOYSA-N 0 0 303.903 4.288 50 0 DIAARN COc1cc(C)c2c(c1)CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000248330728 563783500 /nfs/dbraw/zinc/78/35/00/563783500.db2.gz GEIYLFMTMKRVAC-QTVCLEQKSA-N 0 0 300.442 4.221 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2cccc(Cl)c2)C1(C)C 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563853973 /nfs/dbraw/zinc/85/39/73/563853973.db2.gz CSEODAXTNJMAMO-UHFFFAOYSA-N 0 0 324.355 4.288 50 0 DIAARN CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000012911652 563853986 /nfs/dbraw/zinc/85/39/86/563853986.db2.gz JZMZNOFEMDPCKX-UHFFFAOYSA-N 0 0 320.392 4.029 50 0 DIAARN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2)c(Cl)c1 ZINC000012920773 563854276 /nfs/dbraw/zinc/85/42/76/563854276.db2.gz LIGQLYRHWSQIHB-CYBMUJFWSA-N 0 0 323.845 4.030 50 0 DIAARN O=C(CCc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 ZINC000012922819 563854527 /nfs/dbraw/zinc/85/45/27/563854527.db2.gz PBAJTQZWNURHBZ-HNNXBMFYSA-N 0 0 322.433 4.033 50 0 DIAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccn1 ZINC000012927875 563854962 /nfs/dbraw/zinc/85/49/62/563854962.db2.gz ZAMRMGFLEGEUBW-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN CCc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)sc1C ZINC000012935729 563857709 /nfs/dbraw/zinc/85/77/09/563857709.db2.gz RFRNAGCMKGYAFU-UHFFFAOYSA-N 0 0 303.471 4.318 50 0 DIAARN C[C@@H](O)c1cccc(OCc2coc(-c3cccs3)n2)c1 ZINC000075094576 563859235 /nfs/dbraw/zinc/85/92/35/563859235.db2.gz FSOLMTHOTVQMIF-LLVKDONJSA-N 0 0 301.367 4.035 50 0 DIAARN O=C(OC1(C2CC2)CC1)c1ccc(COc2ccccc2F)o1 ZINC000075092204 563859241 /nfs/dbraw/zinc/85/92/41/563859241.db2.gz UQFRTJOAJDHANS-UHFFFAOYSA-N 0 0 316.328 4.097 50 0 DIAARN C[C@H](O)c1cccc(OCc2coc(-c3cccs3)n2)c1 ZINC000075094575 563859279 /nfs/dbraw/zinc/85/92/79/563859279.db2.gz FSOLMTHOTVQMIF-NSHDSACASA-N 0 0 301.367 4.035 50 0 DIAARN CCOc1ccc(O[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000075092384 563859298 /nfs/dbraw/zinc/85/92/98/563859298.db2.gz BEVKLAAAFAUDKV-LLVKDONJSA-N 0 0 316.382 4.337 50 0 DIAARN CCOc1ccc(O[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000075092383 563859397 /nfs/dbraw/zinc/85/93/97/563859397.db2.gz BEVKLAAAFAUDKV-NSHDSACASA-N 0 0 316.382 4.337 50 0 DIAARN COC(=O)c1ccoc1CNC1(c2ccccc2)CCCCC1 ZINC000075110915 563860256 /nfs/dbraw/zinc/86/02/56/563860256.db2.gz QAFCQKDFCABADV-UHFFFAOYSA-N 0 0 313.397 4.015 50 0 DIAARN Fc1cccc(-c2nnc(CNc3ccccc3Cl)o2)c1 ZINC000075110270 563860388 /nfs/dbraw/zinc/86/03/88/563860388.db2.gz NKYMGAFUEXGPHT-UHFFFAOYSA-N 0 0 303.724 4.141 50 0 DIAARN CCc1ccsc1CNC(=O)[C@H]1C[C@H]1c1ccc(C)s1 ZINC000075110338 563860454 /nfs/dbraw/zinc/86/04/54/563860454.db2.gz CECXZHVJNFPSLM-OLZOCXBDSA-N 0 0 305.468 4.100 50 0 DIAARN CC/C(=C/C(=O)N(C)Cc1cccc(OC)c1)c1ccc(C)cc1 ZINC000075146153 563860795 /nfs/dbraw/zinc/86/07/95/563860795.db2.gz RKQSFSAMPPWVGB-JXAWBTAJSA-N 0 0 323.436 4.456 50 0 DIAARN O=C([C@@H]1CC=CCC1)N(CCc1ccccc1)Cc1ccccn1 ZINC000075170143 563861205 /nfs/dbraw/zinc/86/12/05/563861205.db2.gz MHPKVBRCFZUECX-LJQANCHMSA-N 0 0 320.436 4.009 50 0 DIAARN Cc1nc2nccc(-c3cc4c(cc3C)[C@@H](C)CC(C)(C)N4)n2n1 ZINC000575473297 563861230 /nfs/dbraw/zinc/86/12/30/563861230.db2.gz VYMZWLSDCXESEF-LBPRGKRZSA-N 0 0 321.428 4.106 50 0 DIAARN O=C(c1c(F)cccc1F)N1CCC(c2cccs2)CC1 ZINC000075157019 563861439 /nfs/dbraw/zinc/86/14/39/563861439.db2.gz SCRXUSAAWAHVDV-UHFFFAOYSA-N 0 0 307.365 4.046 50 0 DIAARN O=C1c2ccccc2[C@@H]2O[C@H](c3ccccc3)c3ccccc3N12 ZINC000075278518 563862201 /nfs/dbraw/zinc/86/22/01/563862201.db2.gz DFDNTTSDPJLILE-CTNGQTDRSA-N 0 0 313.356 4.465 50 0 DIAARN O=C1c2ccccc2[C@H]2O[C@H](c3ccccc3)c3ccccc3N12 ZINC000075278521 563862411 /nfs/dbraw/zinc/86/24/11/563862411.db2.gz DFDNTTSDPJLILE-TZIWHRDSSA-N 0 0 313.356 4.465 50 0 DIAARN Cc1nnc(-c2ccco2)c2cn(-c3ccc(Cl)cc3)nc21 ZINC000075279402 563862888 /nfs/dbraw/zinc/86/28/88/563862888.db2.gz ADTHLKKLWZKXTP-UHFFFAOYSA-N 0 0 310.744 4.037 50 0 DIAARN CC(=O)Oc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000075283283 563862940 /nfs/dbraw/zinc/86/29/40/563862940.db2.gz WHXLHRXSZVKECR-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN O=C(/C=C/c1ccc2ccccc2n1)OCc1ccc(F)cc1 ZINC000007982762 563864211 /nfs/dbraw/zinc/86/42/11/563864211.db2.gz UDJQIQYRSCDAJS-VAWYXSNFSA-N 0 0 307.324 4.131 50 0 DIAARN Fc1ccc2c(c1)[C@@H](Nc1ncnc3ccsc31)CCCO2 ZINC000053583067 563864327 /nfs/dbraw/zinc/86/43/27/563864327.db2.gz UJRRSNWVLRKUTK-LBPRGKRZSA-N 0 0 315.373 4.156 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)c1ccc2ncsc2c1 ZINC000575607747 563865135 /nfs/dbraw/zinc/86/51/35/563865135.db2.gz CDNSOLGIXWGTPX-UHFFFAOYSA-N 0 0 324.361 4.079 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)c1cccc(Cl)c1 ZINC000575608029 563865220 /nfs/dbraw/zinc/86/52/20/563865220.db2.gz HUNHKSOULIZRCS-UHFFFAOYSA-N 0 0 301.729 4.123 50 0 DIAARN Nc1ccccc1OCc1cccc(COc2ccccc2N)c1 ZINC000000406771 563865505 /nfs/dbraw/zinc/86/55/05/563865505.db2.gz ONLHBVRQCLXVFO-UHFFFAOYSA-N 0 0 320.392 4.009 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)Nc1c(F)cccc1F ZINC000575609278 563865573 /nfs/dbraw/zinc/86/55/73/563865573.db2.gz AJIPAVUXROJRNT-UHFFFAOYSA-N 0 0 318.279 4.140 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)c1nc2ccccc2s1 ZINC000575609186 563865761 /nfs/dbraw/zinc/86/57/61/563865761.db2.gz QTKGPALOCFANQE-UHFFFAOYSA-N 0 0 324.361 4.079 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2cccc3ccccc32)c1C ZINC000026510235 563866247 /nfs/dbraw/zinc/86/62/47/563866247.db2.gz AAZVJHLOXFUUDA-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN CCCCOC(=O)/C=C\c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000035326995 563866292 /nfs/dbraw/zinc/86/62/92/563866292.db2.gz PUFNHUKZOJSGKB-LUAWRHEFSA-N 0 0 306.361 4.255 50 0 DIAARN O=C(c1cc2ccccc2[nH]1)N1CCc2sc(Cl)cc2C1 ZINC000575615658 563867168 /nfs/dbraw/zinc/86/71/68/563867168.db2.gz GSSGPOBDBVVVIU-UHFFFAOYSA-N 0 0 316.813 4.081 50 0 DIAARN CCn1cnc2cc(-c3noc(-c4cccc(C)c4)n3)ccc21 ZINC000035453436 563867433 /nfs/dbraw/zinc/86/74/33/563867433.db2.gz RWBDWSUEKNDGLV-UHFFFAOYSA-N 0 0 304.353 4.082 50 0 DIAARN c1coc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)c1 ZINC000035453714 563867794 /nfs/dbraw/zinc/86/77/94/563867794.db2.gz UASWYPHFVHQWPC-UHFFFAOYSA-N 0 0 320.352 4.461 50 0 DIAARN CCn1cnc2cc(-c3noc(-c4ccccc4Cl)n3)ccc21 ZINC000035453551 563867807 /nfs/dbraw/zinc/86/78/07/563867807.db2.gz KNELWUNJBVJGDS-UHFFFAOYSA-N 0 0 324.771 4.427 50 0 DIAARN CCn1cnc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21 ZINC000035453525 563867919 /nfs/dbraw/zinc/86/79/19/563867919.db2.gz NGDDQFXYPGIPMA-SOFGYWHQSA-N 0 0 322.393 4.338 50 0 DIAARN CC[C@@H](C(=O)NCc1cncc(-c2ccoc2)c1)c1ccccc1 ZINC000575620392 563868269 /nfs/dbraw/zinc/86/82/69/563868269.db2.gz MTDNMMSUYNAPJW-LJQANCHMSA-N 0 0 320.392 4.152 50 0 DIAARN Cc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1C ZINC000075437276 563871578 /nfs/dbraw/zinc/87/15/78/563871578.db2.gz UADPVIDPHZOVGM-UHFFFAOYSA-N 0 0 317.392 4.321 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000075437305 563871588 /nfs/dbraw/zinc/87/15/88/563871588.db2.gz ZCOLVMLHJMJDST-UHFFFAOYSA-N 0 0 317.392 4.321 50 0 DIAARN COC(=O)c1c(NC2CCCC2)onc1-c1cccc(Cl)c1 ZINC000035510003 563871608 /nfs/dbraw/zinc/87/16/08/563871608.db2.gz VVQNSSQDLQGWMX-UHFFFAOYSA-N 0 0 320.776 4.136 50 0 DIAARN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1F ZINC000035539794 563872274 /nfs/dbraw/zinc/87/22/74/563872274.db2.gz HISFBPNBUGMLPW-UHFFFAOYSA-N 0 0 323.327 4.005 50 0 DIAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)C1CCC1 ZINC000035555031 563872323 /nfs/dbraw/zinc/87/23/23/563872323.db2.gz IKCIPCPCEBMLFR-UHFFFAOYSA-N 0 0 317.414 4.113 50 0 DIAARN O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)C1CCC1 ZINC000035539830 563872332 /nfs/dbraw/zinc/87/23/32/563872332.db2.gz BKJXCMSDUZEGOB-UHFFFAOYSA-N 0 0 311.385 4.133 50 0 DIAARN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc(F)c1 ZINC000035539791 563872427 /nfs/dbraw/zinc/87/24/27/563872427.db2.gz FUGBZNNVYUHKNV-UHFFFAOYSA-N 0 0 323.327 4.005 50 0 DIAARN CC(C)c1ccc(CN(C)C(=O)NCCc2ccccc2)cc1 ZINC000012985236 563873476 /nfs/dbraw/zinc/87/34/76/563873476.db2.gz YFGQPJXJDDJMEU-UHFFFAOYSA-N 0 0 310.441 4.194 50 0 DIAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccc(C)cc2c1 ZINC000000227446 563873859 /nfs/dbraw/zinc/87/38/59/563873859.db2.gz QGDIYIHLJAVATH-QGZVFWFLSA-N 0 0 317.454 4.101 50 0 DIAARN CCCOc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 ZINC000035672126 563873949 /nfs/dbraw/zinc/87/39/49/563873949.db2.gz WKQXOOQUEJONFV-UHFFFAOYSA-N 0 0 310.353 4.201 50 0 DIAARN Fc1ccc(F)c(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c1 ZINC000075467539 563873967 /nfs/dbraw/zinc/87/39/67/563873967.db2.gz CMTYGZPHYMOING-UHFFFAOYSA-N 0 0 324.290 4.072 50 0 DIAARN O=C(c1ccsc1)N(CCc1cccs1)Cc1ccco1 ZINC000075154750 563874498 /nfs/dbraw/zinc/87/44/98/563874498.db2.gz SPTUVBKTYIWNLP-UHFFFAOYSA-N 0 0 317.435 4.288 50 0 DIAARN CC1CCC(NC(=O)CCCc2nc3ccccc3s2)CC1 ZINC000013005651 563874999 /nfs/dbraw/zinc/87/49/99/563874999.db2.gz LFGFPLWOGNWCCD-UHFFFAOYSA-N 0 0 316.470 4.314 50 0 DIAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccco1 ZINC000013005535 563875128 /nfs/dbraw/zinc/87/51/28/563875128.db2.gz DVROZSDFBSHZCA-UHFFFAOYSA-N 0 0 310.378 4.144 50 0 DIAARN COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000013012409 563876147 /nfs/dbraw/zinc/87/61/47/563876147.db2.gz FWKRKGQTHAMFSY-UHFFFAOYSA-N 0 0 320.392 4.308 50 0 DIAARN Cc1cccc2sc(NC(=O)c3cc(F)ccc3F)nc21 ZINC000013013298 563876696 /nfs/dbraw/zinc/87/66/96/563876696.db2.gz NKUJQDKUCYPKMC-UHFFFAOYSA-N 0 0 304.321 4.135 50 0 DIAARN O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CCCc2ccccc21 ZINC000013017957 563876805 /nfs/dbraw/zinc/87/68/05/563876805.db2.gz JMPUDDNWSXDKFL-VQTJNVASSA-N 0 0 305.421 4.374 50 0 DIAARN COC(=O)c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCC[C@@H]32)cc1 ZINC000035360491 563878344 /nfs/dbraw/zinc/87/83/44/563878344.db2.gz RNBMFXMGWVLBEV-AYOQOUSVSA-N 0 0 323.392 4.026 50 0 DIAARN CC(C)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000239366920 563879890 /nfs/dbraw/zinc/87/98/90/563879890.db2.gz AGSWPYSWOJUEHQ-FPMFFAJLSA-N 0 0 313.363 4.312 50 0 DIAARN C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000241316681 563880351 /nfs/dbraw/zinc/88/03/51/563880351.db2.gz LTZMPVNQKXRMSJ-BZPMIXESSA-N 0 0 300.427 4.006 50 0 DIAARN Cc1ccc(C2=C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 ZINC000001826967 563882231 /nfs/dbraw/zinc/88/22/31/563882231.db2.gz XRYVXIKZEMMXSN-MRXNPFEDSA-N 0 0 323.787 4.288 50 0 DIAARN CCCC(=O)c1cc(CP(=O)(OCC)OCC)oc1C ZINC000001887709 563882926 /nfs/dbraw/zinc/88/29/26/563882926.db2.gz WVEBAXZOMLODRP-UHFFFAOYSA-N 0 0 302.307 4.337 50 0 DIAARN O=C(O[C@H](c1ccccc1)c1cccnc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246540143 563883230 /nfs/dbraw/zinc/88/32/30/563883230.db2.gz QANPMTLVNCGFAP-YDZRNGNQSA-N 0 0 307.393 4.150 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000007970523 563886022 /nfs/dbraw/zinc/88/60/22/563886022.db2.gz IAZSJWGZSGQILK-UHFFFAOYSA-N 0 0 323.751 4.139 50 0 DIAARN Cc1ccc(OCCCCn2c3ccccc3nc2[C@H](C)O)cc1 ZINC000001926802 563886196 /nfs/dbraw/zinc/88/61/96/563886196.db2.gz LVNSTELSZNLVKR-INIZCTEOSA-N 0 0 324.424 4.257 50 0 DIAARN CSCCSc1nc(-c2ccco2)nc2ccccc21 ZINC000089493734 563887959 /nfs/dbraw/zinc/88/79/59/563887959.db2.gz DBHAKAQLQBRIBO-UHFFFAOYSA-N 0 0 302.424 4.345 50 0 DIAARN Cc1nc(CNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)oc1C ZINC000079018194 563890888 /nfs/dbraw/zinc/89/08/88/563890888.db2.gz OLOBZJGMNQXPDV-INIZCTEOSA-N 0 0 320.820 4.001 50 0 DIAARN Cc1ccc(C)c(-c2cc(CN(C)C(=O)c3ccccc3)no2)c1 ZINC000036005649 563891686 /nfs/dbraw/zinc/89/16/86/563891686.db2.gz XAZMMTUFJFLELH-UHFFFAOYSA-N 0 0 320.392 4.231 50 0 DIAARN COC(=O)c1cc2ccsc2n1Cc1c(F)cccc1Cl ZINC000064659209 563892304 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Cc1ccccc1-n1ncc(C(=O)N2CCCCCC2)c1C1CC1 ZINC000029735963 563941421 /nfs/dbraw/zinc/94/14/21/563941421.db2.gz SQPDBJLSKGXYQH-UHFFFAOYSA-N 0 0 323.440 4.074 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2nc(C3CC3)cs2)o1 ZINC000254761321 563941606 /nfs/dbraw/zinc/94/16/06/563941606.db2.gz PUPQXHSAPMVSTR-MIEUEZKFSA-N 0 0 314.410 4.389 50 0 DIAARN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000230122565 563941824 /nfs/dbraw/zinc/94/18/24/563941824.db2.gz QWDFBTCKPFIVOJ-CKEIUWERSA-N 0 0 302.418 4.190 50 0 DIAARN Cc1cc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)nc(-c2ccncc2)n1 ZINC000230168012 563941917 /nfs/dbraw/zinc/94/19/17/563941917.db2.gz IZFCNRXJMUSLIT-JCGIZDLHSA-N 0 0 322.456 4.252 50 0 DIAARN O=S(=O)(c1ccccc1)c1ccc2c(c1)Oc1ccccc1N2 ZINC000003148903 563942414 /nfs/dbraw/zinc/94/24/14/563942414.db2.gz CEFLTYORKNHCKD-UHFFFAOYSA-N 0 0 323.373 4.369 50 0 DIAARN COc1cc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1 ZINC000003165573 563942447 /nfs/dbraw/zinc/94/24/47/563942447.db2.gz CPGZDCVXXTZGMN-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN C[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000030266912 563942620 /nfs/dbraw/zinc/94/26/20/563942620.db2.gz IYYAWMNHHVXMSB-INIZCTEOSA-N 0 0 316.404 4.372 50 0 DIAARN O=C(Nc1cccc(F)c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003181865 563942631 /nfs/dbraw/zinc/94/26/31/563942631.db2.gz BXLJNZDRAHMBAK-UHFFFAOYSA-N 0 0 319.335 4.309 50 0 DIAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000003191641 563942699 /nfs/dbraw/zinc/94/26/99/563942699.db2.gz WVJIXLNZIMOQCA-CXAGYDPISA-N 0 0 307.397 4.080 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)cc1Cl ZINC000003221722 563942940 /nfs/dbraw/zinc/94/29/40/563942940.db2.gz LNPUFYSTWPEHPJ-GFCCVEGCSA-N 0 0 305.780 4.230 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl ZINC000003221359 563942947 /nfs/dbraw/zinc/94/29/47/563942947.db2.gz TUULCBKLXIJTJL-NSHDSACASA-N 0 0 323.770 4.369 50 0 DIAARN O=C(CSc1ncccn1)c1ccc(C2CCCCC2)cc1 ZINC000003225182 563943053 /nfs/dbraw/zinc/94/30/53/563943053.db2.gz DPMWRFVBTJCHNG-UHFFFAOYSA-N 0 0 312.438 4.499 50 0 DIAARN Cc1ccccc1-n1ccnc1SCc1cn2ccccc2n1 ZINC000030869487 563943881 /nfs/dbraw/zinc/94/38/81/563943881.db2.gz SBIVENYKMHYCCC-UHFFFAOYSA-N 0 0 320.421 4.121 50 0 DIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000003479041 563944106 /nfs/dbraw/zinc/94/41/06/563944106.db2.gz CQPUIOXYTJRAKN-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000003473491 563944136 /nfs/dbraw/zinc/94/41/36/563944136.db2.gz JMCRQYVKOCWPTA-LBPRGKRZSA-N 0 0 303.789 4.308 50 0 DIAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000031406491 563944407 /nfs/dbraw/zinc/94/44/07/563944407.db2.gz KDCAUVVDTOCNRA-ZDUSSCGKSA-N 0 0 300.402 4.157 50 0 DIAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCc4ccccc43)s2)o1 ZINC000031273576 563944422 /nfs/dbraw/zinc/94/44/22/563944422.db2.gz CFBXAUUMXSVUIF-UHFFFAOYSA-N 0 0 324.405 4.223 50 0 DIAARN Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 ZINC000031803667 563944799 /nfs/dbraw/zinc/94/47/99/563944799.db2.gz DBUOXKQHDIHDIL-INIZCTEOSA-N 0 0 300.427 4.113 50 0 DIAARN O=C(NC1CCCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000032063024 563945078 /nfs/dbraw/zinc/94/50/78/563945078.db2.gz WTESAIPSHWOUNS-UHFFFAOYSA-N 0 0 324.424 4.113 50 0 DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004073946 563945204 /nfs/dbraw/zinc/94/52/04/563945204.db2.gz QGKQXZFZOIQFBI-PEDXZBLOSA-N 0 0 306.490 4.141 50 0 biogenic DIAARN Cc1cccnc1NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000032072253 563945222 /nfs/dbraw/zinc/94/52/22/563945222.db2.gz RBKURTIBCQSEIR-UHFFFAOYSA-N 0 0 305.381 4.314 50 0 DIAARN CC(=O)Oc1c(C=NN(C)c2ccccc2)sc2ccccc21 ZINC000004154949 563945400 /nfs/dbraw/zinc/94/54/00/563945400.db2.gz GPDNBWGHSJHVTQ-UHFFFAOYSA-N 0 0 324.405 4.297 50 0 DIAARN O=C(N[C@H]1CCSc2ccccc21)c1cccc2cccnc21 ZINC000007988843 563945977 /nfs/dbraw/zinc/94/59/77/563945977.db2.gz DDDQWKPUEOTVIK-INIZCTEOSA-N 0 0 320.417 4.202 50 0 DIAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C)ccc1C ZINC000008007112 563946199 /nfs/dbraw/zinc/94/61/99/563946199.db2.gz WYTSYPVIXDMZJF-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CC[C@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000008039279 563946288 /nfs/dbraw/zinc/94/62/88/563946288.db2.gz HPBMJTIXAXDVLJ-CABZTGNLSA-N 0 0 311.838 4.061 50 0 DIAARN COCc1ccccc1C(=O)Nc1cc(F)ccc1OC(C)C ZINC000066433221 563946452 /nfs/dbraw/zinc/94/64/52/563946452.db2.gz SOYFBYMOGOZGQV-UHFFFAOYSA-N 0 0 317.360 4.012 50 0 DIAARN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1F ZINC000008094993 563946538 /nfs/dbraw/zinc/94/65/38/563946538.db2.gz NKNSJPOGYYHSHQ-GFCCVEGCSA-N 0 0 315.363 4.335 50 0 DIAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=S)NC1CC1 ZINC000008083106 563946623 /nfs/dbraw/zinc/94/66/23/563946623.db2.gz RVGBHDLEGYZNLN-UHFFFAOYSA-N 0 0 320.845 4.069 50 0 DIAARN C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1F ZINC000008094992 563946672 /nfs/dbraw/zinc/94/66/72/563946672.db2.gz NKNSJPOGYYHSHQ-LBPRGKRZSA-N 0 0 315.363 4.335 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)C3CC3)c3ccccc3n2)o1 ZINC000008132169 563946769 /nfs/dbraw/zinc/94/67/69/563946769.db2.gz ZPLJAGGXHCYGSF-CYBMUJFWSA-N 0 0 320.392 4.332 50 0 DIAARN O=C(NCCSc1ccc(Cl)cc1)c1ccccc1F ZINC000008125352 563946775 /nfs/dbraw/zinc/94/67/75/563946775.db2.gz LGQZQBWHONPKTQ-UHFFFAOYSA-N 0 0 309.793 4.001 50 0 DIAARN C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000008199595 563947195 /nfs/dbraw/zinc/94/71/95/563947195.db2.gz MVAKTKIXOXJJAM-GFCCVEGCSA-N 0 0 313.788 4.241 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000008222729 563947215 /nfs/dbraw/zinc/94/72/15/563947215.db2.gz KDXYFNKTADMWQH-PHIMTYICSA-N 0 0 300.324 4.215 50 0 DIAARN Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000008239215 563947289 /nfs/dbraw/zinc/94/72/89/563947289.db2.gz QGMUBSKAAKTKCZ-HNNXBMFYSA-N 0 0 323.392 4.306 50 0 DIAARN O=C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000008316519 563947884 /nfs/dbraw/zinc/94/78/84/563947884.db2.gz OMZYHBOEAUZNGU-UHFFFAOYSA-N 0 0 323.392 4.000 50 0 DIAARN COc1cc(Cl)ccc1C(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000067057882 563948456 /nfs/dbraw/zinc/94/84/56/563948456.db2.gz IOZFSAVNRNFZJL-LLVKDONJSA-N 0 0 319.788 4.307 50 0 DIAARN c1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 ZINC000008429809 563948669 /nfs/dbraw/zinc/94/86/69/563948669.db2.gz LBWWFMGUBPSKAX-UHFFFAOYSA-N 0 0 309.350 4.170 50 0 DIAARN Fc1ccccc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000008515551 563948822 /nfs/dbraw/zinc/94/88/22/563948822.db2.gz RLFDVPKZZDOWBX-UHFFFAOYSA-N 0 0 303.337 4.042 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2Cl)cc1C ZINC000008493663 563948871 /nfs/dbraw/zinc/94/88/71/563948871.db2.gz OMNZVYHBRBHNRU-CQSZACIVSA-N 0 0 317.816 4.041 50 0 DIAARN Cc1sc2[nH]c(CSc3ccc(F)cc3)nc(=O)c2c1C ZINC000008482088 563948892 /nfs/dbraw/zinc/94/88/92/563948892.db2.gz QHIUXJVDTYGAIJ-UHFFFAOYSA-N 0 0 320.414 4.033 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000008449193 563948899 /nfs/dbraw/zinc/94/88/99/563948899.db2.gz TYNUDDMPAXGYKW-UHFFFAOYSA-N 0 0 321.254 4.204 50 0 DIAARN COc1ccccc1CNC(=O)/C=C/c1cc2ccc(C)cc2o1 ZINC000067339804 563949005 /nfs/dbraw/zinc/94/90/05/563949005.db2.gz CJUNAXLSGSLKPW-MDZDMXLPSA-N 0 0 321.376 4.079 50 0 DIAARN Cc1oc(-c2ccccc2C)nc1CNC(=O)Nc1ccccc1 ZINC000008608298 563949465 /nfs/dbraw/zinc/94/94/65/563949465.db2.gz MKMIXWCYVPCQKT-UHFFFAOYSA-N 0 0 321.380 4.280 50 0 DIAARN O=C(N[C@@H]1CCSc2ccccc21)c1c(F)cccc1Cl ZINC000008724797 563950157 /nfs/dbraw/zinc/95/01/57/563950157.db2.gz UCPXKWGDWDEOKN-CYBMUJFWSA-N 0 0 321.804 4.446 50 0 DIAARN C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccco1 ZINC000008724376 563950165 /nfs/dbraw/zinc/95/01/65/563950165.db2.gz MRSXIYVEMUFMSM-CYBMUJFWSA-N 0 0 303.361 4.342 50 0 DIAARN CCCC(=O)N1N=C(c2ccc(CC)cc2)C[C@@H]1c1ccco1 ZINC000008734914 563950362 /nfs/dbraw/zinc/95/03/62/563950362.db2.gz GHJSKCYHVYZWES-QGZVFWFLSA-N 0 0 310.397 4.320 50 0 DIAARN Cc1noc(C)c1CN(C(=O)c1ccccc1)c1ccccc1 ZINC000008751167 563950551 /nfs/dbraw/zinc/95/05/51/563950551.db2.gz GZTJKIPJBHCYME-UHFFFAOYSA-N 0 0 306.365 4.138 50 0 DIAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccsc1 ZINC000008762326 563950594 /nfs/dbraw/zinc/95/05/94/563950594.db2.gz OJCUIUNWURUKEC-UHFFFAOYSA-N 0 0 322.361 4.402 50 0 DIAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000008780352 563950745 /nfs/dbraw/zinc/95/07/45/563950745.db2.gz UVJLBTAXJYUWDP-GFCCVEGCSA-N 0 0 318.804 4.178 50 0 DIAARN Cc1ccc2oc(C(=O)Nc3ccc(F)c(Cl)c3)cc2n1 ZINC000008798690 563950944 /nfs/dbraw/zinc/95/09/44/563950944.db2.gz ZVFGNCRCYIOKHH-UHFFFAOYSA-N 0 0 304.708 4.181 50 0 DIAARN Cc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 ZINC000008916186 563951330 /nfs/dbraw/zinc/95/13/30/563951330.db2.gz MKEKDUAAODROAN-UHFFFAOYSA-N 0 0 321.833 4.191 50 0 DIAARN O=C(c1ccccc1F)N1CCSc2ccc(Cl)cc21 ZINC000040071178 563951345 /nfs/dbraw/zinc/95/13/45/563951345.db2.gz MIKTWIGEKGPJBT-UHFFFAOYSA-N 0 0 307.777 4.232 50 0 DIAARN Cc1cccc(NC(=O)c2nc(SC(C)C)ncc2Cl)c1 ZINC000008916087 563951360 /nfs/dbraw/zinc/95/13/60/563951360.db2.gz FVVPHDVRHLZVKJ-UHFFFAOYSA-N 0 0 321.833 4.191 50 0 DIAARN Clc1ccc(-n2nnnc2/C=C/C=C/c2ccccc2)cc1 ZINC000039931013 563951386 /nfs/dbraw/zinc/95/13/86/563951386.db2.gz ULTKQZNLBBQHRO-KBXRYBNXSA-N 0 0 308.772 4.042 50 0 DIAARN CC(=O)c1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008942172 563951571 /nfs/dbraw/zinc/95/15/71/563951571.db2.gz MNFFVFMOOGBQKQ-UHFFFAOYSA-N 0 0 321.298 4.089 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1 ZINC000040156608 563951644 /nfs/dbraw/zinc/95/16/44/563951644.db2.gz FLKQCNZUYRLMDP-ZIAGYGMSSA-N 0 0 318.486 4.234 50 0 DIAARN CCc1ccccc1NC(=O)CCSCc1csc(C)n1 ZINC000009065683 563952214 /nfs/dbraw/zinc/95/22/14/563952214.db2.gz ZLJZKONNMRZMHJ-UHFFFAOYSA-N 0 0 320.483 4.276 50 0 DIAARN O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCc2ccccc2C1 ZINC000069320381 563952240 /nfs/dbraw/zinc/95/22/40/563952240.db2.gz VLOBBYJZPHGRLK-OAQYLSRUSA-N 0 0 315.416 4.056 50 0 DIAARN CCSCCC(=O)Nc1scnc1-c1ccc(F)cc1 ZINC000069420143 563952892 /nfs/dbraw/zinc/95/28/92/563952892.db2.gz JWRTWEONVJTXRO-UHFFFAOYSA-N 0 0 310.419 4.031 50 0 DIAARN C[C@H](c1ccccc1F)N(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000069484619 563952935 /nfs/dbraw/zinc/95/29/35/563952935.db2.gz AMNCFPZGWRTWFY-GFCCVEGCSA-N 0 0 317.408 4.232 50 0 DIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCC(C)C ZINC000069454192 563952954 /nfs/dbraw/zinc/95/29/54/563952954.db2.gz IETQVDMJOJCCRZ-KRWDZBQOSA-N 0 0 313.445 4.156 50 0 DIAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2o1 ZINC000009134764 563953373 /nfs/dbraw/zinc/95/33/73/563953373.db2.gz LKWDHMFKMBSRMJ-ZDUSSCGKSA-N 0 0 318.376 4.275 50 0 DIAARN C[C@H](NCc1nc(-c2ccsc2)no1)c1ccccc1Cl ZINC000069570416 563953508 /nfs/dbraw/zinc/95/35/08/563953508.db2.gz CNBLGARZDVCPMI-JTQLQIEISA-N 0 0 319.817 4.302 50 0 DIAARN Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000009196501 563954037 /nfs/dbraw/zinc/95/40/37/563954037.db2.gz ZJKVDAGUVQHTTD-UHFFFAOYSA-N 0 0 321.380 4.006 50 0 DIAARN C[C@H](c1cccnc1)N(C(=O)Nc1ccccc1Cl)C1CC1 ZINC000069699327 563954188 /nfs/dbraw/zinc/95/41/88/563954188.db2.gz KEGYBUNHNVWBJN-GFCCVEGCSA-N 0 0 315.804 4.493 50 0 DIAARN CCN(C(=O)C1CC1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000069779764 563954630 /nfs/dbraw/zinc/95/46/30/563954630.db2.gz VDNNDKXBMVFOBQ-LJQANCHMSA-N 0 0 308.425 4.046 50 0 DIAARN CC(C)c1nnc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)o1 ZINC000069811485 563954830 /nfs/dbraw/zinc/95/48/30/563954830.db2.gz ZWGWCOCREUCWLT-KRWDZBQOSA-N 0 0 324.428 4.402 50 0 DIAARN O=C(Nc1cc(F)ccc1F)c1ncc(-c2ccc(F)cc2)o1 ZINC000009322294 563955186 /nfs/dbraw/zinc/95/51/86/563955186.db2.gz YBOPKDXCXODRJJ-UHFFFAOYSA-N 0 0 318.254 4.011 50 0 DIAARN CCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc21 ZINC000009360050 563955308 /nfs/dbraw/zinc/95/53/08/563955308.db2.gz ZGKLHTNIODGSBF-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN O=C(Nc1ccccc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000009366816 563955534 /nfs/dbraw/zinc/95/55/34/563955534.db2.gz IFFAJLUBIHBOFI-INIZCTEOSA-N 0 0 324.359 4.071 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 ZINC000009368181 563955579 /nfs/dbraw/zinc/95/55/79/563955579.db2.gz MVJSMEHGNQNKDU-YEWDVWPNSA-N 0 0 310.397 4.380 50 0 DIAARN Cc1nnc(COc2c(Cl)cc(Cl)c3ccc(C)nc32)o1 ZINC000009377925 563955683 /nfs/dbraw/zinc/95/56/83/563955683.db2.gz KLTGOKRFGXZKEJ-UHFFFAOYSA-N 0 0 324.167 4.120 50 0 DIAARN CC(C)(C)c1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000070017326 563955791 /nfs/dbraw/zinc/95/57/91/563955791.db2.gz DWPSQBZAYSJTIL-UHFFFAOYSA-N 0 0 320.820 4.117 50 0 DIAARN C[C@H]1CCCN(c2nc3ccccc3c(N3CCCCCC3)n2)C1 ZINC000041149312 563955808 /nfs/dbraw/zinc/95/58/08/563955808.db2.gz BXRPZAUNNCENNG-INIZCTEOSA-N 0 0 324.472 4.247 50 0 DIAARN O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1F ZINC000009479422 563956237 /nfs/dbraw/zinc/95/62/37/563956237.db2.gz NTUFBXULHWWKHL-UHFFFAOYSA-N 0 0 318.398 4.192 50 0 DIAARN O=C(Nc1cccc(F)c1)c1ncoc1-c1cccc(Cl)c1 ZINC000009527371 563956603 /nfs/dbraw/zinc/95/66/03/563956603.db2.gz CERUJTAVQONFRF-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN CCOc1ccccc1NC(=O)c1ncoc1-c1cccc(C)c1 ZINC000009527357 563956658 /nfs/dbraw/zinc/95/66/58/563956658.db2.gz OIUNOWSJUMUMRE-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(F)c1 ZINC000009515994 563956667 /nfs/dbraw/zinc/95/66/67/563956667.db2.gz DIWHGSMFVFRYFG-LLVKDONJSA-N 0 0 314.385 4.269 50 0 DIAARN Cc1ccc2n1CCN(C(=O)Nc1ccc(F)cc1)[C@@H]2C(C)C ZINC000009528318 563956726 /nfs/dbraw/zinc/95/67/26/563956726.db2.gz CRZLYWSOPXFNGG-QGZVFWFLSA-N 0 0 315.392 4.180 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 ZINC000009544705 563956781 /nfs/dbraw/zinc/95/67/81/563956781.db2.gz YFZHGRXEIWSUMQ-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=S)Nc1ccnn1C1CCCCC1 ZINC000009602459 563957120 /nfs/dbraw/zinc/95/71/20/563957120.db2.gz QFTWZGDATQRJGR-DZGCQCFKSA-N 0 0 320.506 4.253 50 0 DIAARN Cc1ccc2c(ccn2CCC(=O)Nc2cccc3[nH]ccc32)c1 ZINC000070666535 563957153 /nfs/dbraw/zinc/95/71/53/563957153.db2.gz GFWARTGHHULZAG-UHFFFAOYSA-N 0 0 317.392 4.460 50 0 biogenic DIAARN Cc1ccc(OCC(=O)Nc2ccccc2C)c2c1[C@@H](C)CC2=O ZINC000009723760 563957655 /nfs/dbraw/zinc/95/76/55/563957655.db2.gz NTGLKJXUSFYAQP-AWEZNQCLSA-N 0 0 323.392 4.011 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(F)c(F)c1F ZINC000071279778 563957972 /nfs/dbraw/zinc/95/79/72/563957972.db2.gz TWNNLFHWNGJHQY-SECBINFHSA-N 0 0 309.291 4.005 50 0 DIAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2ccccc2F)o1 ZINC000009911179 563957987 /nfs/dbraw/zinc/95/79/87/563957987.db2.gz GSPPXFYBXNQABR-UHFFFAOYSA-N 0 0 313.303 4.155 50 0 DIAARN O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1ccncc1 ZINC000009979075 563958089 /nfs/dbraw/zinc/95/80/89/563958089.db2.gz CEWXPPIJCKWQNW-SFHVURJKSA-N 0 0 321.355 4.132 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000010258909 563958332 /nfs/dbraw/zinc/95/83/32/563958332.db2.gz ZUAHPSDPZCQQER-UHFFFAOYSA-N 0 0 300.789 4.193 50 0 DIAARN Cc1ccc(-c2nnc(SCc3cccc(F)c3)n2C)cc1 ZINC000010263915 563958379 /nfs/dbraw/zinc/95/83/79/563958379.db2.gz QNGYJEFUWAHOSH-UHFFFAOYSA-N 0 0 313.401 4.222 50 0 DIAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1Cl ZINC000010286277 563958506 /nfs/dbraw/zinc/95/85/06/563958506.db2.gz CFJBEUFNHGWOBW-UHFFFAOYSA-N 0 0 316.813 4.222 50 0 DIAARN O=C(C[C@H]1C=CCC1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000010427413 563958972 /nfs/dbraw/zinc/95/89/72/563958972.db2.gz HHRNTPCPZHGVRQ-HNNXBMFYSA-N 0 0 317.392 4.320 50 0 DIAARN CC(C)[C@H](NC(=O)NCCc1cccc(F)c1)c1ccccc1 ZINC000010466144 563959402 /nfs/dbraw/zinc/95/94/02/563959402.db2.gz BINFPTDTZYRHBK-SFHVURJKSA-N 0 0 314.404 4.065 50 0 DIAARN CC(C)[C@@H](NC(=O)NCCc1cccc(F)c1)c1ccccc1 ZINC000010466145 563959447 /nfs/dbraw/zinc/95/94/47/563959447.db2.gz BINFPTDTZYRHBK-GOSISDBHSA-N 0 0 314.404 4.065 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000000075884 563960151 /nfs/dbraw/zinc/96/01/51/563960151.db2.gz DYGYGSRIVNBSKX-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CC(=O)c1ccc(OCc2cccc(Br)c2)cc1F ZINC000078531276 563961033 /nfs/dbraw/zinc/96/10/33/563961033.db2.gz OOGLFGQPTPHFFJ-UHFFFAOYSA-N 0 0 323.161 4.370 50 0 DIAARN CCc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 ZINC000020597588 563961644 /nfs/dbraw/zinc/96/16/44/563961644.db2.gz NXXJMOJLNAXDSM-KRWDZBQOSA-N 0 0 321.424 4.270 50 0 DIAARN Nc1c2c3c(sc2nc(=S)n1-c1ccccc1)CCCC3 ZINC000101410982 563962062 /nfs/dbraw/zinc/96/20/62/563962062.db2.gz KUAKKXNUEQAHOX-UHFFFAOYSA-N 0 0 313.451 4.108 50 0 DIAARN c1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000000018945 568413369 /nfs/dbraw/zinc/41/33/69/568413369.db2.gz WHMKZOBPYPISHR-UHFFFAOYSA-N 0 0 305.425 4.018 50 0 DIAARN Cc1ccc(Cl)c(-c2nccn2Cc2ccccn2)c1F ZINC000067432215 568413499 /nfs/dbraw/zinc/41/34/99/568413499.db2.gz UTUYGPDRCNLSAJ-UHFFFAOYSA-N 0 0 301.752 4.094 50 0 DIAARN CCc1ccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)cc1 ZINC000032996297 568416544 /nfs/dbraw/zinc/41/65/44/568416544.db2.gz AZSLUTIORGSUSK-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000003078652 568416859 /nfs/dbraw/zinc/41/68/59/568416859.db2.gz YYSGVNYHHCLDSS-VIFPVBQESA-N 0 0 302.390 4.009 50 0 DIAARN O=C(OC/C=C\c1ccccc1)c1cccc(Br)c1 ZINC000035241619 568417942 /nfs/dbraw/zinc/41/79/42/568417942.db2.gz KMANMVXNSJWTBO-YVMONPNESA-N 0 0 317.182 4.319 50 0 DIAARN O=C(COC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001594291 568418224 /nfs/dbraw/zinc/41/82/24/568418224.db2.gz LYRKZCCOQJWSLZ-UHFFFAOYSA-N 0 0 316.356 4.393 50 0 DIAARN CC(=O)COc1ccc(-c2csc3ccccc32)cc1C=O ZINC000103016079 568418455 /nfs/dbraw/zinc/41/84/55/568418455.db2.gz BYCUGKUZPNAGNG-UHFFFAOYSA-N 0 0 310.374 4.349 50 0 DIAARN Cc1ccc(Cl)c(O[C@@H](C)C2N=NC(=S)N2C2CC2)c1 ZINC000006922592 568418857 /nfs/dbraw/zinc/41/88/57/568418857.db2.gz QMNQGBNHIHHKEG-VIFPVBQESA-N 0 0 309.822 4.004 50 0 DIAARN O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(Cl)cc1 ZINC000006920164 568418903 /nfs/dbraw/zinc/41/89/03/568418903.db2.gz SWBIRCQUZDPPQZ-UHFFFAOYSA-N 0 0 310.784 4.312 50 0 DIAARN CC(C)n1cc2cc(C(=O)NCc3ccccc3F)sc2c1 ZINC000065285445 568419454 /nfs/dbraw/zinc/41/94/54/568419454.db2.gz RXGSMVGBVSKISS-UHFFFAOYSA-N 0 0 316.401 4.353 50 0 DIAARN Cc1nnc(-c2cc3ccccc3n2Cc2cccc(C)c2)o1 ZINC000007451538 568419571 /nfs/dbraw/zinc/41/95/71/568419571.db2.gz NXHKLTTYWZXMRS-UHFFFAOYSA-N 0 0 303.365 4.356 50 0 DIAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1CC=CC1 ZINC000089644346 568420272 /nfs/dbraw/zinc/42/02/72/568420272.db2.gz JKCPMYDZNSVJFP-UHFFFAOYSA-N 0 0 316.401 4.247 50 0 DIAARN Cc1ccc2c(c1)c1nnc(SCc3ccccc3)nc1n2C ZINC000001079617 568420549 /nfs/dbraw/zinc/42/05/49/568420549.db2.gz MTAGMQOWQFDQDH-UHFFFAOYSA-N 0 0 320.421 4.117 50 0 DIAARN CCC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000022170873 1036793238 /nfs/dbraw/zinc/79/32/38/1036793238.db2.gz KXSRXHBHZCVSEN-UHFFFAOYSA-N 0 0 308.333 4.084 50 0 DIAARN C[C@H](c1ccon1)N(C)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000199811350 1037310390 /nfs/dbraw/zinc/31/03/90/1037310390.db2.gz DBCTYINDACIABI-FPNCAMSMSA-N 0 0 316.445 4.191 50 0 DIAARN CC(C)c1nnc(CNc2c(F)cc(Cl)cc2Cl)o1 ZINC000097081228 1037787818 /nfs/dbraw/zinc/78/78/18/1037787818.db2.gz OQRANMPTBUICSQ-UHFFFAOYSA-N 0 0 304.152 4.251 50 0 DIAARN Fc1cccc(-c2nnc3sc(/C=C\c4ccccc4)nn32)c1 ZINC000097475140 1038104565 /nfs/dbraw/zinc/10/45/65/1038104565.db2.gz PCFBKYXFCVVVSW-KTKRTIGZSA-N 0 0 322.368 4.162 50 0 DIAARN CC1CCN(c2ccc(-c3nc(C4CCCC4)no3)cn2)CC1 ZINC000171791031 1038488612 /nfs/dbraw/zinc/48/86/12/1038488612.db2.gz LGAQBVMCVRAILT-UHFFFAOYSA-N 0 0 312.417 4.026 50 0 DIAARN CO[C@@H](C)c1cccc(NC(=O)N2CCCC3(CC3)CC2)c1 ZINC000626354419 1038643908 /nfs/dbraw/zinc/64/39/08/1038643908.db2.gz MMPZKXYBJXJUJU-AWEZNQCLSA-N 0 0 302.418 4.192 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1Cl ZINC000000179884 1038674237 /nfs/dbraw/zinc/67/42/37/1038674237.db2.gz JLIZSNTWESGWSQ-MRXNPFEDSA-N 0 0 303.814 4.427 50 0 DIAARN CC[C@@H](OC)c1noc(C2(c3ccc(OC)cc3)CCCC2)n1 ZINC000289489602 1038750944 /nfs/dbraw/zinc/75/09/44/1038750944.db2.gz XJZPFLYZJKFSEP-OAHLLOKOSA-N 0 0 316.401 4.036 50 0 DIAARN CCCCC(=O)c1ccc(OC(=O)c2ccccc2F)cc1 ZINC000002952644 1038919085 /nfs/dbraw/zinc/91/90/85/1038919085.db2.gz KGKALROCNIQBLK-UHFFFAOYSA-N 0 0 300.329 4.418 50 0 DIAARN CC[C@H](Nc1ccc(N2CCCC2)c(Cl)c1)c1cn[nH]c1 ZINC000252501731 1039758364 /nfs/dbraw/zinc/75/83/64/1039758364.db2.gz UIRQZNMDEXYASM-HNNXBMFYSA-N 0 0 304.825 4.227 50 0 DIAARN CCCC(=O)Oc1c(=O)c2ccccc2oc1-c1ccc(C)cc1 ZINC000000937005 1039977638 /nfs/dbraw/zinc/97/76/38/1039977638.db2.gz IDITZTVREIUXLU-UHFFFAOYSA-N 0 0 322.360 4.474 50 0 DIAARN CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000152296092 1040025563 /nfs/dbraw/zinc/02/55/63/1040025563.db2.gz ARYTVQKQLYBXPO-QGZVFWFLSA-N 0 0 300.402 4.234 50 0 DIAARN Cc1ncc(CN(C)Cc2cccc(OC3CCCC3)c2)s1 ZINC000179381340 1040446337 /nfs/dbraw/zinc/44/63/37/1040446337.db2.gz ICIFYNOYCHDYPT-UHFFFAOYSA-N 0 0 316.470 4.405 50 0 DIAARN COc1ccc(C[N@H+](C)Cc2cnc(C)s2)c2ccccc12 ZINC000179384044 1040451288 /nfs/dbraw/zinc/45/12/88/1040451288.db2.gz RIZXFOMPIQVCPX-UHFFFAOYSA-N 0 0 312.438 4.245 50 0 DIAARN C/C(=C/c1ccccc1)CNc1ccc([S@](C)=O)c(F)c1 ZINC000095971970 1040477993 /nfs/dbraw/zinc/47/79/93/1040477993.db2.gz ZEFFAHHKUDVGFE-NZIDHHNMSA-N 0 0 303.402 4.079 50 0 DIAARN COC(=O)c1ccc2c(c1)-c1ccc(C(=O)OC)c3cccc-2c13 ZINC000023283628 1040566390 /nfs/dbraw/zinc/56/63/90/1040566390.db2.gz PWUZBCGECZZHOP-UHFFFAOYSA-N 0 0 318.328 4.060 50 0 DIAARN O=C(CCc1ccoc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000177233659 1040579791 /nfs/dbraw/zinc/57/97/91/1040579791.db2.gz UVYLZIPMPXLDKY-SFHVURJKSA-N 0 0 301.361 4.009 50 0 DIAARN O=C(/C=C\c1ccco1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000102857484 1040768585 /nfs/dbraw/zinc/76/85/85/1040768585.db2.gz AXNIMLNRMYYPFO-FPLPWBNLSA-N 0 0 314.341 4.194 50 0 DIAARN CCc1nc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 ZINC000293222524 1041301526 /nfs/dbraw/zinc/30/15/26/1041301526.db2.gz RXPFAECUXUNBCR-UHFFFAOYSA-N 0 0 323.274 4.281 50 0 DIAARN Cc1nn(C)c2ncc(/C=C(\Cl)c3nc4ccccc4o3)cc12 ZINC000195174360 1041408582 /nfs/dbraw/zinc/40/85/82/1041408582.db2.gz CDIMQJBQNJPHBM-JYRVWZFOSA-N 0 0 324.771 4.155 50 0 DIAARN C[C@H](CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000293888009 1041427386 /nfs/dbraw/zinc/42/73/86/1041427386.db2.gz 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/nfs/dbraw/zinc/69/79/01/180697901.db2.gz IDWZJSVMZVUKLH-UHFFFAOYSA-N 0 0 303.745 4.139 50 0 DIAARN Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1 ZINC000000121805 180700082 /nfs/dbraw/zinc/70/00/82/180700082.db2.gz RMGLBBFYMPDEQA-UHFFFAOYSA-N 0 0 321.258 4.251 50 0 DIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000000129804 180702604 /nfs/dbraw/zinc/70/26/04/180702604.db2.gz DEPHNPPMZIRNBU-KBPBESRZSA-N 0 0 317.816 4.293 50 0 DIAARN C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(O)c4)c23)C1 ZINC000000132529 180704062 /nfs/dbraw/zinc/70/40/62/180704062.db2.gz GNZBQYUMCADFIK-SNVBAGLBSA-N 0 0 311.410 4.265 50 0 DIAARN c1csc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1 ZINC000072469605 191175683 /nfs/dbraw/zinc/17/56/83/191175683.db2.gz SLUJKJAUWGOIBP-UHFFFAOYSA-N 0 0 306.394 4.299 50 0 DIAARN COc1cc(C=O)ccc1OCc1c(Cl)cccc1Cl ZINC000000151804 180710008 /nfs/dbraw/zinc/71/00/08/180710008.db2.gz GYXPQXNHHNIMSS-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN Cc1onc(-c2ccccc2)c1NC(=O)N(C)C1CCCCC1 ZINC000000155777 180711004 /nfs/dbraw/zinc/71/10/04/180711004.db2.gz NIKCZCISJOOLKO-UHFFFAOYSA-N 0 0 313.401 4.446 50 0 DIAARN Cc1ccc(-n2cc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072475957 191177195 /nfs/dbraw/zinc/17/71/95/191177195.db2.gz SMEMEDYPXRPOGL-UHFFFAOYSA-N 0 0 318.355 4.377 50 0 DIAARN Cc1ccc(CNc2cc(-c3ccccc3)nc3ccnn32)s1 ZINC000072473786 191177876 /nfs/dbraw/zinc/17/78/76/191177876.db2.gz XABXGKNGMFMAQZ-UHFFFAOYSA-N 0 0 320.421 4.378 50 0 DIAARN COc1cccc(-c2nccn2[C@H]2CCc3ccccc32)c1OC ZINC000072478862 191179722 /nfs/dbraw/zinc/17/97/22/191179722.db2.gz CHSDEFKTXWCHMX-KRWDZBQOSA-N 0 0 320.392 4.103 50 0 DIAARN Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000000282371 180746956 /nfs/dbraw/zinc/74/69/56/180746956.db2.gz VVPQBUDAEUZLLF-UHFFFAOYSA-N 0 0 306.818 4.115 50 0 DIAARN COc1ccc(-c2noc(CCC3CCCCC3)n2)cc1OC ZINC000000312249 180756068 /nfs/dbraw/zinc/75/60/68/180756068.db2.gz GDYQRUJXJATNFQ-UHFFFAOYSA-N 0 0 316.401 4.267 50 0 DIAARN Cc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl ZINC000000315921 180757469 /nfs/dbraw/zinc/75/74/69/180757469.db2.gz XCDGNQCQHRLLAF-UHFFFAOYSA-N 0 0 305.164 4.001 50 0 DIAARN CC(C)(C)C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000000306659 180754215 /nfs/dbraw/zinc/75/42/15/180754215.db2.gz WVXDWSZGLKTLLF-UHFFFAOYSA-N 0 0 317.458 4.487 50 0 DIAARN Cc1ccc(C2=C(Cl)S(=O)(=O)c3cc(C)ccc32)cc1 ZINC000000339244 180761119 /nfs/dbraw/zinc/76/11/19/180761119.db2.gz LUBPMEVRAPYRMK-UHFFFAOYSA-N 0 0 304.798 4.046 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000000347109 180763080 /nfs/dbraw/zinc/76/30/80/180763080.db2.gz OBWSILMBZLRJJZ-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN CC[C@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000000345741 180762838 /nfs/dbraw/zinc/76/28/38/180762838.db2.gz PEYZSMZLBSGKLF-SJCJKPOMSA-N 0 0 316.426 4.383 50 0 DIAARN Cc1ccnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1 ZINC000000376477 180771318 /nfs/dbraw/zinc/77/13/18/180771318.db2.gz MVZZJSMIXBXTHV-AATRIKPKSA-N 0 0 307.180 4.349 50 0 DIAARN CCCc1cc2c(cc1NC(=O)c1ccccc1Cl)OCO2 ZINC000000381973 180772073 /nfs/dbraw/zinc/77/20/73/180772073.db2.gz PIGNSJJSBBKALJ-UHFFFAOYSA-N 0 0 317.772 4.274 50 0 DIAARN Cc1ccc(SCCC(=O)NCCC2=CCCCC2)cc1 ZINC000000382621 180772137 /nfs/dbraw/zinc/77/21/37/180772137.db2.gz NQMMDRVEXNFHPU-UHFFFAOYSA-N 0 0 303.471 4.484 50 0 DIAARN COc1cc(N)c2nc(OCc3cccc(Cl)c3)ccc2c1 ZINC000000382950 180772657 /nfs/dbraw/zinc/77/26/57/180772657.db2.gz ZRNDWLWBTIOHLK-UHFFFAOYSA-N 0 0 314.772 4.058 50 0 DIAARN Cc1ccc(NC(=O)c2ccccc2Br)c(C)c1 ZINC000000351312 180764144 /nfs/dbraw/zinc/76/41/44/180764144.db2.gz XNRNUQJDXNCOCR-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000000355535 180765419 /nfs/dbraw/zinc/76/54/19/180765419.db2.gz CNEIANKZNDCOBY-LBPRGKRZSA-N 0 0 308.381 4.332 50 0 DIAARN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1cccs1 ZINC000000363945 180767671 /nfs/dbraw/zinc/76/76/71/180767671.db2.gz QFLLJCWFLUCTLM-UHFFFAOYSA-N 0 0 323.373 4.220 50 0 DIAARN O=C(NCc1ccccc1Cl)C1(c2ccccc2)CCCC1 ZINC000000367081 180768149 /nfs/dbraw/zinc/76/81/49/180768149.db2.gz PWMNVTFFYURTBV-UHFFFAOYSA-N 0 0 313.828 4.468 50 0 DIAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCc1ccncc1 ZINC000000387722 180774745 /nfs/dbraw/zinc/77/47/45/180774745.db2.gz RXJRICPUUNYBRA-UHFFFAOYSA-N 0 0 314.772 4.028 50 0 DIAARN COc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000435041 180790803 /nfs/dbraw/zinc/79/08/03/180790803.db2.gz MSWSGUGSMBFAIC-UHFFFAOYSA-N 0 0 315.170 4.068 50 0 DIAARN COc1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000000459025 180797321 /nfs/dbraw/zinc/79/73/21/180797321.db2.gz IQJIQNMQMSHISG-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)C2CCCC2)c1 ZINC000000461540 180798568 /nfs/dbraw/zinc/79/85/68/180798568.db2.gz DPCXOWIVIXEVEU-UHFFFAOYSA-N 0 0 314.429 4.252 50 0 DIAARN CCN(CC)C(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000000468496 180800108 /nfs/dbraw/zinc/80/01/08/180800108.db2.gz ZOTYTCHYQKVCTE-UHFFFAOYSA-N 0 0 321.804 4.302 50 0 DIAARN CC(=O)Nc1ccc(NCc2ccccc2C(F)(F)F)cc1 ZINC000072937820 191253161 /nfs/dbraw/zinc/25/31/61/191253161.db2.gz VREABZJOWKHCGH-UHFFFAOYSA-N 0 0 308.303 4.276 50 0 DIAARN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2)cc1 ZINC000000451238 180795664 /nfs/dbraw/zinc/79/56/64/180795664.db2.gz VHEYCWSZIUGSIR-JKSUJKDBSA-N 0 0 311.425 4.141 50 0 DIAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1F ZINC000000473685 180801988 /nfs/dbraw/zinc/80/19/88/180801988.db2.gz MFMHALBMHOGJKW-VIFPVBQESA-N 0 0 311.715 4.024 50 0 DIAARN Cc1scc(C(=O)Nc2nnc(-c3cccs3)s2)c1C ZINC000000474866 180802580 /nfs/dbraw/zinc/80/25/80/180802580.db2.gz DTEZQVFZHXMYQB-UHFFFAOYSA-N 0 0 321.452 4.197 50 0 DIAARN Cc1ccc(C)c(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000000514777 180810492 /nfs/dbraw/zinc/81/04/92/180810492.db2.gz DWDKSCKLTQYGTR-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN CCCC(=O)Nc1ccccc1NC(=O)c1cc(C)ccc1C ZINC000000514785 180810532 /nfs/dbraw/zinc/81/05/32/180810532.db2.gz UOTTUYSWBJZRRW-UHFFFAOYSA-N 0 0 310.397 4.294 50 0 DIAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1C ZINC000000516092 180810927 /nfs/dbraw/zinc/81/09/27/180810927.db2.gz VXBMWJGEMAKCGY-UHFFFAOYSA-N 0 0 317.392 4.321 50 0 DIAARN CCCN(CCC)c1nc(-c2ccncc2)nc2ccccc21 ZINC000000521131 180811516 /nfs/dbraw/zinc/81/15/16/180811516.db2.gz UVLDEAGIGUSGNY-UHFFFAOYSA-N 0 0 306.413 4.318 50 0 DIAARN CCOc1ccc2nc(NCc3ccc(F)cc3)sc2c1 ZINC000000527891 180813398 /nfs/dbraw/zinc/81/33/98/180813398.db2.gz SWIKWXKXUBDWHQ-UHFFFAOYSA-N 0 0 302.374 4.446 50 0 DIAARN c1coc(-c2nc3nc4ccccc4nc3n2C2CCCC2)c1 ZINC000000536630 180816927 /nfs/dbraw/zinc/81/69/27/180816927.db2.gz IXSYMUZEMKZAGV-UHFFFAOYSA-N 0 0 304.353 4.355 50 0 DIAARN CO[P@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000000547847 180818908 /nfs/dbraw/zinc/81/89/08/180818908.db2.gz XBRSJZRDJLPUJU-VOMJYIIZSA-N 0 0 306.273 4.412 50 0 DIAARN CC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2F)cc1 ZINC000000610334 180827762 /nfs/dbraw/zinc/82/77/62/180827762.db2.gz MBMKBRNMHIXHRN-UHFFFAOYSA-N 0 0 322.792 4.491 50 0 DIAARN O=C(NCc1cccs1)Nc1ccccc1C(F)(F)F ZINC000000610926 180827909 /nfs/dbraw/zinc/82/79/09/180827909.db2.gz AEVAOXKFFMFVCV-UHFFFAOYSA-N 0 0 300.305 4.089 50 0 DIAARN Oc1cccc(C(=S)N2CCC(Cc3ccccc3)CC2)c1 ZINC000000611242 180828384 /nfs/dbraw/zinc/82/83/84/180828384.db2.gz PPVNFNIYYYHIRJ-UHFFFAOYSA-N 0 0 311.450 4.022 50 0 DIAARN CCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815143 180834477 /nfs/dbraw/zinc/83/44/77/180834477.db2.gz VZNIRVRYGJEJKP-UHFFFAOYSA-N 0 0 313.184 4.130 50 0 DIAARN CCn1c(SCc2ccccc2)nnc1-c1ccccc1F ZINC000000615105 180829717 /nfs/dbraw/zinc/82/97/17/180829717.db2.gz YOSNPZTVXMMRRB-UHFFFAOYSA-N 0 0 313.401 4.396 50 0 DIAARN CC[C@H](C)NC(=O)C[C@H](c1ccccc1)c1cc(C)ccc1O ZINC000000615932 180830358 /nfs/dbraw/zinc/83/03/58/180830358.db2.gz PJBIDBGHDIJLDC-DOTOQJQBSA-N 0 0 311.425 4.137 50 0 DIAARN O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000000620276 180831201 /nfs/dbraw/zinc/83/12/01/180831201.db2.gz VEIXLXIVAMCBLZ-GOSISDBHSA-N 0 0 316.360 4.271 50 0 DIAARN CCC(C)(C)NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000620531 180831222 /nfs/dbraw/zinc/83/12/22/180831222.db2.gz WYLCCWDNTICSTD-UHFFFAOYSA-N 0 0 306.793 4.222 50 0 DIAARN CN(C(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000000621145 180831253 /nfs/dbraw/zinc/83/12/53/180831253.db2.gz CDGLCOYCGCJTMS-UHFFFAOYSA-N 0 0 324.605 4.379 50 0 DIAARN COC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000001055738 180843926 /nfs/dbraw/zinc/84/39/26/180843926.db2.gz RTXJWZMFJXJEQM-UHFFFAOYSA-N 0 0 303.170 4.295 50 0 DIAARN O=c1oc(-c2cccc(Cl)c2)nc2sc3c(c21)CCCC3 ZINC000000971265 180838675 /nfs/dbraw/zinc/83/86/75/180838675.db2.gz BWQBCRYDDKNMSS-UHFFFAOYSA-N 0 0 317.797 4.449 50 0 DIAARN CC(C)(C)CC(C)(C)NC(=O)c1ccc(Br)cc1 ZINC000001049131 180842868 /nfs/dbraw/zinc/84/28/68/180842868.db2.gz KNJLEPPBGBHRDA-UHFFFAOYSA-N 0 0 312.251 4.394 50 0 DIAARN Cc1ccc(NC(=O)Cc2cccs2)c(Br)c1 ZINC000001051972 180842975 /nfs/dbraw/zinc/84/29/75/180842975.db2.gz LAURCWOMYHSTJE-UHFFFAOYSA-N 0 0 310.216 4.000 50 0 DIAARN COc1ccc(C)cc1NC(=O)CSc1ccc(C)cc1 ZINC000001099315 180846584 /nfs/dbraw/zinc/84/65/84/180846584.db2.gz DJYCVRRVBUFERN-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000001117010 180847500 /nfs/dbraw/zinc/84/75/00/180847500.db2.gz GREHTJULPHNVSI-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN CCc1cc(=O)oc2cc(C)cc(OCc3ccccc3F)c12 ZINC000001164463 180848765 /nfs/dbraw/zinc/84/87/65/180848765.db2.gz ONVWLZMEEXNFDM-UHFFFAOYSA-N 0 0 312.340 4.382 50 0 DIAARN CC(=O)[C@H](C)Sc1ncc2c(n1)-c1cc(C)ccc1SC2 ZINC000001403614 180862740 /nfs/dbraw/zinc/86/27/40/180862740.db2.gz QSSPLYAJXPXFLD-NSHDSACASA-N 0 0 316.451 4.127 50 0 DIAARN Cc1nc2ccccn2c1C(=O)CSc1ccccc1Cl ZINC000001383990 180857835 /nfs/dbraw/zinc/85/78/35/180857835.db2.gz DPYMKBZCDMZABK-UHFFFAOYSA-N 0 0 316.813 4.271 50 0 DIAARN Cc1noc2ncnc(Sc3cccc(C(F)(F)F)c3)c12 ZINC000001389834 180858986 /nfs/dbraw/zinc/85/89/86/180858986.db2.gz YFOHNFZDGFGMOE-UHFFFAOYSA-N 0 0 311.288 4.096 50 0 DIAARN Cc1cc2nc(-c3ccccc3Cl)cc(C(F)(F)F)n2n1 ZINC000001394531 180860171 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/nfs/dbraw/zinc/03/95/68/181039568.db2.gz UHTSXWRLNMYXHI-UHFFFAOYSA-N 0 0 309.337 4.019 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 ZINC000003609031 181039974 /nfs/dbraw/zinc/03/99/74/181039974.db2.gz UPRYWDGLZUMLLM-FQEVSTJZSA-N 0 0 318.420 4.294 50 0 DIAARN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(Cl)c23)C1 ZINC000003887557 181052750 /nfs/dbraw/zinc/05/27/50/181052750.db2.gz RVNLJOQXBUQMNQ-SNVBAGLBSA-N 0 0 321.877 4.065 50 0 DIAARN CCCCCCOc1ccc(C(=O)Nc2nccs2)cc1 ZINC000003899404 181054212 /nfs/dbraw/zinc/05/42/12/181054212.db2.gz CJDGRORTXXETEG-UHFFFAOYSA-N 0 0 304.415 4.355 50 0 DIAARN CCCCC(=O)Nc1c(-c2ccccc2)nc2cc(C)ccn21 ZINC000003899585 181054252 /nfs/dbraw/zinc/05/42/52/181054252.db2.gz LLBRXVDIWLDQJU-UHFFFAOYSA-N 0 0 307.397 4.438 50 0 DIAARN Cc1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)cc1C ZINC000003909444 181057403 /nfs/dbraw/zinc/05/74/03/181057403.db2.gz ZLXADNBPFWVBBJ-UHFFFAOYSA-N 0 0 318.376 4.309 50 0 DIAARN Clc1ccc(-c2nnn3c2nc(Cl)c2ccccc23)cc1 ZINC000003907064 181055820 /nfs/dbraw/zinc/05/58/20/181055820.db2.gz OWJUTUPFSYJOPZ-UHFFFAOYSA-N 0 0 315.163 4.251 50 0 DIAARN CC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000003909079 181056487 /nfs/dbraw/zinc/05/64/87/181056487.db2.gz MFPCELLTBQNYPE-UHFFFAOYSA-N 0 0 313.184 4.432 50 0 aggregator DIAARN C[C@H]1CCCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908247 181056751 /nfs/dbraw/zinc/05/67/51/181056751.db2.gz KMHUYLNMCICYOK-NSHDSACASA-N 0 0 304.777 4.010 50 0 DIAARN OCc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 ZINC000004025527 181063590 /nfs/dbraw/zinc/06/35/90/181063590.db2.gz LAFZZYUFSKZFOR-UHFFFAOYSA-N 0 0 318.829 4.087 50 0 DIAARN COc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1 ZINC000004026861 181063610 /nfs/dbraw/zinc/06/36/10/181063610.db2.gz ZYACEJZTEMQQEU-UHFFFAOYSA-N 0 0 304.345 4.085 50 0 biogenic DIAARN Cc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C ZINC000004034626 181065126 /nfs/dbraw/zinc/06/51/26/181065126.db2.gz ZJVZRHBVSDKYIE-UHFFFAOYSA-N 0 0 318.376 4.163 50 0 DIAARN CCCOC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000004039275 181066009 /nfs/dbraw/zinc/06/60/09/181066009.db2.gz PNLMOHUPPFWAOW-UHFFFAOYSA-N 0 0 317.772 4.159 50 0 DIAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@@H]1c1cccnc1 ZINC000004000399 181061191 /nfs/dbraw/zinc/06/11/91/181061191.db2.gz WLUPMYXUNVYLNP-GOSISDBHSA-N 0 0 323.371 4.069 50 0 biogenic DIAARN CCOC(=O)Cn1c(/C=C/c2ccc(C)cc2)nc2ccccc21 ZINC000004002705 181061505 /nfs/dbraw/zinc/06/15/05/181061505.db2.gz AWOLVKCBGKERNC-OUKQBFOZSA-N 0 0 320.392 4.078 50 0 DIAARN COc1ccc(NCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000004007906 181062325 /nfs/dbraw/zinc/06/23/25/181062325.db2.gz JPXSGKTWTJDLOC-UHFFFAOYSA-N 0 0 311.303 4.335 50 0 DIAARN Cc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1 ZINC000004086352 181071427 /nfs/dbraw/zinc/07/14/27/181071427.db2.gz CSJWRKBDKXOSLX-UHFFFAOYSA-N 0 0 320.388 4.478 50 0 DIAARN N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1F ZINC000004103672 181073701 /nfs/dbraw/zinc/07/37/01/181073701.db2.gz REHNWDYUEBYKIY-RBCZPYDQSA-N 0 0 316.332 4.020 50 0 DIAARN Cc1cc2nccc([C@H](C)Oc3ccc(Cl)cc3Cl)n2n1 ZINC000004050634 181067004 /nfs/dbraw/zinc/06/70/04/181067004.db2.gz VCEAAZIILUQLQB-JTQLQIEISA-N 0 0 322.195 4.485 50 0 DIAARN CCOC(=O)Nc1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000004052801 181067346 /nfs/dbraw/zinc/06/73/46/181067346.db2.gz LJMDLEGZNAGUAR-UHFFFAOYSA-N 0 0 315.398 4.272 50 0 DIAARN Cc1cc2cc(CNC(=O)CCC3CCCCC3)ccc2n1C ZINC000004061467 181068153 /nfs/dbraw/zinc/06/81/53/181068153.db2.gz HOOCAIOFIJCGBI-UHFFFAOYSA-N 0 0 312.457 4.463 50 0 DIAARN Cn1cc(SCC(=O)Nc2cccc(F)c2)c2ccccc21 ZINC000004060484 181068238 /nfs/dbraw/zinc/06/82/38/181068238.db2.gz MHMYXLNYEHZVLZ-UHFFFAOYSA-N 0 0 314.385 4.048 50 0 DIAARN Cc1cc2cc(CNC(=O)c3cccc(Cl)c3)ccc2n1C ZINC000004061507 181068347 /nfs/dbraw/zinc/06/83/47/181068347.db2.gz JKYBJTHLZNQHKG-UHFFFAOYSA-N 0 0 312.800 4.070 50 0 DIAARN Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 ZINC000004070341 181068730 /nfs/dbraw/zinc/06/87/30/181068730.db2.gz AEOFIXNGNALKHA-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CCCCC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000004062978 181068927 /nfs/dbraw/zinc/06/89/27/181068927.db2.gz SHLZIRLNWVFVKV-UHFFFAOYSA-N 0 0 311.410 4.487 50 0 DIAARN CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1nccs1)(C2)C3 ZINC000004071235 181069431 /nfs/dbraw/zinc/06/94/31/181069431.db2.gz BPQUOPIMJKGMFD-UHFFFAOYSA-N 0 0 304.459 4.468 50 0 DIAARN CC(C)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 ZINC000004079122 181070418 /nfs/dbraw/zinc/07/04/18/181070418.db2.gz MJQSUZMTKRUJEV-UHFFFAOYSA-N 0 0 319.474 4.207 50 0 DIAARN CCn1c(C(=O)NCCCc2ccccc2)cc2sccc21 ZINC000004118745 181076002 /nfs/dbraw/zinc/07/60/02/181076002.db2.gz UFPQKHOQHRSMQK-UHFFFAOYSA-N 0 0 312.438 4.085 50 0 DIAARN Cc1ccc(CSC2=NCCN2C(=O)c2ccccc2C)cc1 ZINC000004120351 181076101 /nfs/dbraw/zinc/07/61/01/181076101.db2.gz BQBBVNUDIWBXRC-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN CN(C(=S)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000004134950 181077321 /nfs/dbraw/zinc/07/73/21/181077321.db2.gz WLDGRMKVGZIREZ-UHFFFAOYSA-N 0 0 314.401 4.249 50 0 DIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000004135286 181077359 /nfs/dbraw/zinc/07/73/59/181077359.db2.gz JNJMEMDECBMBEM-UHFFFAOYSA-N 0 0 323.348 4.170 50 0 DIAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1Cl ZINC000004138503 181077991 /nfs/dbraw/zinc/07/79/91/181077991.db2.gz YPSLXRDUBPWJJB-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1 ZINC000004138296 181078180 /nfs/dbraw/zinc/07/81/80/181078180.db2.gz SQXWVERQJSRMCY-UHFFFAOYSA-N 0 0 319.408 4.368 50 0 DIAARN CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O ZINC000004140901 181078753 /nfs/dbraw/zinc/07/87/53/181078753.db2.gz XKDYZXIRYYAJCG-RMKNXTFCSA-N 0 0 307.349 4.215 50 0 DIAARN Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000004166998 181080794 /nfs/dbraw/zinc/08/07/94/181080794.db2.gz BLPWNJHBODLFJI-UHFFFAOYSA-N 0 0 322.433 4.091 50 0 DIAARN O=c1c2cccc3c2c(nn1Cc1ccccc1)-c1ccccc1-3 ZINC000004192390 181083648 /nfs/dbraw/zinc/08/36/48/181083648.db2.gz VVZSSWWTZGFRQG-UHFFFAOYSA-N 0 0 310.356 4.092 50 0 DIAARN O=Cc1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000004201291 181084651 /nfs/dbraw/zinc/08/46/51/181084651.db2.gz FEIAOCBFWHOZAF-UHFFFAOYSA-N 0 0 300.155 4.410 50 0 DIAARN CCOC(=O)c1cc2cc(C(C)C)cc(Br)c2[nH]1 ZINC000004237620 181086785 /nfs/dbraw/zinc/08/67/85/181086785.db2.gz FKLBQXPNXVCXOY-UHFFFAOYSA-N 0 0 310.191 4.231 50 0 DIAARN Cc1cccn2cc(-c3ccc(NC(=O)c4ccco4)cc3)nc12 ZINC000004247954 181087565 /nfs/dbraw/zinc/08/75/65/181087565.db2.gz DNRABVLNOSQHFL-UHFFFAOYSA-N 0 0 317.348 4.155 50 0 DIAARN CCOC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004258292 181088373 /nfs/dbraw/zinc/08/83/73/181088373.db2.gz IWLMQQOBLYFGAJ-UHFFFAOYSA-N 0 0 314.425 4.096 50 0 DIAARN Cc1ccc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004302849 181095095 /nfs/dbraw/zinc/09/50/95/181095095.db2.gz ADNNJJDTPSWVRY-UHFFFAOYSA-N 0 0 315.482 4.172 50 0 DIAARN COc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 ZINC000004292205 181093513 /nfs/dbraw/zinc/09/35/13/181093513.db2.gz OHUKGPLHMIGYSD-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN O=C(Nc1nc2c(cccc2F)s1)c1ccc(Cl)cc1 ZINC000004331522 181098516 /nfs/dbraw/zinc/09/85/16/181098516.db2.gz LEVOSGJNTUEWMZ-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN COc1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000004330912 181098572 /nfs/dbraw/zinc/09/85/72/181098572.db2.gz CGPKAHGVVLGIFH-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN CCc1cccc2sc(NC(=O)c3ccc(OC)cc3)nc21 ZINC000004348343 181101012 /nfs/dbraw/zinc/10/10/12/181101012.db2.gz CYMOJEMMFLFJFK-UHFFFAOYSA-N 0 0 312.394 4.120 50 0 DIAARN Clc1cccc(CSc2ccc(-c3cccnc3)nn2)c1 ZINC000004358278 181101755 /nfs/dbraw/zinc/10/17/55/181101755.db2.gz ZZJXHXPGBMGTSE-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN C[C@H](CCc1ccccc1)N1C(=S)N[C@H]2C=C(Cl)C=C[C@@H]21 ZINC000004363921 181102832 /nfs/dbraw/zinc/10/28/32/181102832.db2.gz DGQPNDLUJBWOAD-KCXAZCMYSA-N 0 0 318.873 4.039 50 0 DIAARN O=C(CSc1ncnc2sccc21)c1ccc(Cl)cc1 ZINC000004313397 181096015 /nfs/dbraw/zinc/09/60/15/181096015.db2.gz KYUHCJXWNPLGBS-UHFFFAOYSA-N 0 0 320.826 4.320 50 0 DIAARN CCc1cccc(CC)c1NC(=O)Cn1c(C)nc2ccccc21 ZINC000004414863 181108254 /nfs/dbraw/zinc/10/82/54/181108254.db2.gz ODQBVCDYMSYJGC-UHFFFAOYSA-N 0 0 321.424 4.108 50 0 DIAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccco1 ZINC000004423087 181109277 /nfs/dbraw/zinc/10/92/77/181109277.db2.gz HWQYWAZUGJIEJT-OAHLLOKOSA-N 0 0 321.376 4.030 50 0 DIAARN Clc1cccc(CSc2ccc(-c3ccncc3)nn2)c1 ZINC000004392130 181106537 /nfs/dbraw/zinc/10/65/37/181106537.db2.gz KVAKLXWMSJHXFN-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN COc1ccccc1[C@@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000004529799 181120279 /nfs/dbraw/zinc/12/02/79/181120279.db2.gz HFRJUPRCNXEFKO-OAQYLSRUSA-N 0 0 304.389 4.288 50 0 DIAARN COc1cccc(CCC(=O)Nc2ccccc2F)c1Cl ZINC000004542818 181122278 /nfs/dbraw/zinc/12/22/78/181122278.db2.gz LNBIEPRDYSVQQZ-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 ZINC000004475392 181111897 /nfs/dbraw/zinc/11/18/97/181111897.db2.gz IFYPAITVQLLIQM-UHFFFAOYSA-N 0 0 316.357 4.177 50 0 DIAARN c1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1 ZINC000004511503 181117776 /nfs/dbraw/zinc/11/77/76/181117776.db2.gz QJEUKFWATUYFJW-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN CC(=O)Nc1nc(C(c2ccccc2)c2ccccc2)cs1 ZINC000004560142 181124505 /nfs/dbraw/zinc/12/45/05/181124505.db2.gz SSOUISLFUIAYFH-UHFFFAOYSA-N 0 0 308.406 4.282 50 0 DIAARN Oc1cccc([C@@H]2CC(c3ccncc3)=NN2c2ccccc2)c1 ZINC000004567013 181125465 /nfs/dbraw/zinc/12/54/65/181125465.db2.gz KCGAOYONNBACJZ-FQEVSTJZSA-N 0 0 315.376 4.143 50 0 DIAARN COc1ccc(N(C(=O)Nc2ccc(C)cc2)C2=NCCC2)cc1 ZINC000004570570 181125883 /nfs/dbraw/zinc/12/58/83/181125883.db2.gz VZWGYVZBTPJWRN-UHFFFAOYSA-N 0 0 323.396 4.234 50 0 DIAARN CC1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000004575188 181125885 /nfs/dbraw/zinc/12/58/85/181125885.db2.gz FDOCPVKQXNQULE-UHFFFAOYSA-N 0 0 300.427 4.237 50 0 DIAARN O=C(CN(c1ccccc1)C1=NCCCCC1)c1ccccc1 ZINC000004575420 181126348 /nfs/dbraw/zinc/12/63/48/181126348.db2.gz FSMTXZUZJZDKQY-UHFFFAOYSA-N 0 0 306.409 4.348 50 0 DIAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 ZINC000004588283 181127372 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CC(C)COc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736508 182140692 /nfs/dbraw/zinc/14/06/92/182140692.db2.gz WQQJMFKGQHQBTF-UHFFFAOYSA-N 0 0 318.804 4.209 50 0 DIAARN COc1ccc(CN2COc3cc(C)c(Cl)c(C)c3C2)cc1 ZINC000019848816 182156284 /nfs/dbraw/zinc/15/62/84/182156284.db2.gz LZUONURDZITUGY-UHFFFAOYSA-N 0 0 317.816 4.318 50 0 DIAARN c1ccc(C2=N[C@H](c3ccccc3)N3C[C@]23c2ccccc2)cc1 ZINC000019801318 182152053 /nfs/dbraw/zinc/15/20/53/182152053.db2.gz WBGPXLGRLVZYHL-AJVCAZFQSA-N 0 0 310.400 4.399 50 0 DIAARN Cc1ccc(-c2cc(N3CCc4ccccc43)nc(C)n2)cc1 ZINC000019822018 182154018 /nfs/dbraw/zinc/15/40/18/182154018.db2.gz FMVWIQMZKLQBCB-UHFFFAOYSA-N 0 0 301.393 4.455 50 0 DIAARN Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(Cl)cc2)s1 ZINC000019927579 182165046 /nfs/dbraw/zinc/16/50/46/182165046.db2.gz IDPMIYRZFADNIZ-RNCFNFMXSA-N 0 0 324.858 4.272 50 0 DIAARN Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccccc2Cl)s1 ZINC000019927556 182165186 /nfs/dbraw/zinc/16/51/86/182165186.db2.gz WIPLTNZIKSDHEK-TVQRCGJNSA-N 0 0 324.858 4.272 50 0 DIAARN CCCCn1c2ccccc2n(CCOc2cccc(C)c2)c1=N ZINC000019954236 182170084 /nfs/dbraw/zinc/17/00/84/182170084.db2.gz OLNORGIKGQJTKT-UHFFFAOYSA-N 0 0 323.440 4.110 50 0 DIAARN O=C(Cc1cccc(F)c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000019935002 182167370 /nfs/dbraw/zinc/16/73/70/182167370.db2.gz OHINRKIEFPUWKG-UHFFFAOYSA-N 0 0 315.241 4.165 50 0 DIAARN CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1Cl ZINC000020107707 182187560 /nfs/dbraw/zinc/18/75/60/182187560.db2.gz YUCNPDSDIZSSJI-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1ccccc1 ZINC000020158271 182192964 /nfs/dbraw/zinc/19/29/64/182192964.db2.gz UOFWOSJLJJXUPH-LBPRGKRZSA-N 0 0 310.372 4.035 50 0 DIAARN Cc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccco1 ZINC000020192531 182196199 /nfs/dbraw/zinc/19/61/99/182196199.db2.gz JJXQCZKWMFQOMT-UHFFFAOYSA-N 0 0 318.442 4.176 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020310041 182205145 /nfs/dbraw/zinc/20/51/45/182205145.db2.gz FEPJUFSTWHSCHR-UHFFFAOYSA-N 0 0 321.739 4.082 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/nfs/dbraw/zinc/26/06/34/182260634.db2.gz HFYTUUPVHPRKIO-LJQANCHMSA-N 0 0 304.393 4.415 50 0 DIAARN CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1 ZINC000021441163 182273843 /nfs/dbraw/zinc/27/38/43/182273843.db2.gz QQNWLXGYMPKICL-UHFFFAOYSA-N 0 0 324.355 4.076 50 0 DIAARN Nc1c2ccccc2sc1C(=O)OCc1ccc(F)c(F)c1 ZINC000021115166 182265840 /nfs/dbraw/zinc/26/58/40/182265840.db2.gz JXGJQDQHTQBDOL-UHFFFAOYSA-N 0 0 319.332 4.119 50 0 DIAARN CCOc1ccccc1CCC(=O)Nc1cccc2cnccc21 ZINC000021218293 182269456 /nfs/dbraw/zinc/26/94/56/182269456.db2.gz GGMWEXMXDMWKME-UHFFFAOYSA-N 0 0 320.392 4.205 50 0 DIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NCCC2=CCCCC2)cc1C ZINC000021216998 182269559 /nfs/dbraw/zinc/26/95/59/182269559.db2.gz BZXMCDGXBJBTLB-UHFFFAOYSA-N 0 0 323.436 4.177 50 0 DIAARN Cc1ccccc1-c1noc2ncnc(Nc3ccc(F)cc3)c12 ZINC000021714671 182284865 /nfs/dbraw/zinc/28/48/65/182284865.db2.gz FRUVRTDQHUGKNK-UHFFFAOYSA-N 0 0 320.327 4.476 50 0 DIAARN Cc1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc(C)cc2)no1 ZINC000021720051 182286434 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4.152 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2C)o1 ZINC000033049054 182690000 /nfs/dbraw/zinc/69/00/00/182690000.db2.gz FNFAJSHWZDEKFJ-UHFFFAOYSA-N 0 0 316.744 4.457 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2)o1 ZINC000033049036 182690139 /nfs/dbraw/zinc/69/01/39/182690139.db2.gz YWXKQTGUGYBLBI-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN Cc1cccc2s/c(=N/C(=O)c3ccc(Cl)s3)n(C)c21 ZINC000100878771 193805567 /nfs/dbraw/zinc/80/55/67/193805567.db2.gz SDXGCECFMNLKDC-JQIJEIRASA-N 0 0 322.842 4.004 50 0 DIAARN CCCCN(C)c1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000033269095 182698386 /nfs/dbraw/zinc/69/83/86/182698386.db2.gz NTGJZFMONVOFCH-UHFFFAOYSA-N 0 0 316.792 4.175 50 0 DIAARN C[C@@H](NC(=O)/C=C\c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000033456168 182713535 /nfs/dbraw/zinc/71/35/35/182713535.db2.gz QBPNNMPWFZJZHQ-NNFCYIEZSA-N 0 0 315.482 4.482 50 0 DIAARN CNc1nc2ccc(C)cc2cc1-c1noc(-c2ccccc2)n1 ZINC000033318176 182704058 /nfs/dbraw/zinc/70/40/58/182704058.db2.gz RQGJVHSZFBXXSS-UHFFFAOYSA-N 0 0 316.364 4.302 50 0 DIAARN COc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1OC ZINC000033419676 182710382 /nfs/dbraw/zinc/71/03/82/182710382.db2.gz HIEUKZAEHOYREI-BENRWUELSA-N 0 0 307.349 4.128 50 0 DIAARN O=C(Cc1ccsc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000035476330 182776871 /nfs/dbraw/zinc/77/68/71/182776871.db2.gz VSGFPKUNYMDJTJ-OAHLLOKOSA-N 0 0 305.830 4.308 50 0 DIAARN O=C(c1ccccc1F)N1CCC[C@H]1c1ccccc1Cl ZINC000036620652 182830001 /nfs/dbraw/zinc/83/00/01/182830001.db2.gz BKDCFVQDEJOKOA-INIZCTEOSA-N 0 0 303.764 4.456 50 0 DIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000036620311 182830059 /nfs/dbraw/zinc/83/00/59/182830059.db2.gz RWDOCRHFBWWGAY-HXUWFJFHSA-N 0 0 323.436 4.300 50 0 DIAARN Cc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc32)cc1 ZINC000036649130 182833269 /nfs/dbraw/zinc/83/32/69/182833269.db2.gz FTYRPHUIBDQVCC-UHFFFAOYSA-N 0 0 314.392 4.408 50 0 DIAARN CCOC(=O)CCCCn1ccc2cc(Br)ccc21 ZINC000038537127 183001637 /nfs/dbraw/zinc/00/16/37/183001637.db2.gz GNJZABGSSONURL-UHFFFAOYSA-N 0 0 324.218 4.137 50 0 DIAARN O=C(c1c(F)cccc1Cl)N1CC[C@@H](c2ccccc2)C1 ZINC000038567075 183002914 /nfs/dbraw/zinc/00/29/14/183002914.db2.gz KBQZABUCRWIMLU-CYBMUJFWSA-N 0 0 303.764 4.109 50 0 DIAARN O=C(Nc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 ZINC000038567343 183003081 /nfs/dbraw/zinc/00/30/81/183003081.db2.gz MOIKKEOQPQAHBX-CQSZACIVSA-N 0 0 300.789 4.361 50 0 DIAARN CC(C)Cc1ccc(CC(=O)N(C)Cc2ccccc2F)cc1 ZINC000039983195 183026839 /nfs/dbraw/zinc/02/68/39/183026839.db2.gz MIJDYYBVMXGSKD-UHFFFAOYSA-N 0 0 313.416 4.225 50 0 DIAARN Cc1cc(C)c(NC(=O)NCCCOCC(C)C)c(Cl)c1 ZINC000040024047 183027954 /nfs/dbraw/zinc/02/79/54/183027954.db2.gz YUWHNKQTHRUZFD-UHFFFAOYSA-N 0 0 312.841 4.141 50 0 DIAARN CC(C)[C@H](C)NC(=O)Nc1ccc(Br)cc1Cl ZINC000040023884 183027986 /nfs/dbraw/zinc/02/79/86/183027986.db2.gz GGGZZVJXCWYQLS-QMMMGPOBSA-N 0 0 319.630 4.269 50 0 DIAARN COc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1Cl ZINC000040023902 183028444 /nfs/dbraw/zinc/02/84/44/183028444.db2.gz AIPTUJWXFWXJMO-VIFPVBQESA-N 0 0 310.806 4.293 50 0 DIAARN CN(Cc1cccc(Cl)c1)C(=O)c1cccc2ncccc21 ZINC000040033560 183029300 /nfs/dbraw/zinc/02/93/00/183029300.db2.gz FYNGNKZDYASOOJ-UHFFFAOYSA-N 0 0 310.784 4.160 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000040051265 183030169 /nfs/dbraw/zinc/03/01/69/183030169.db2.gz PQSGQYBVQHLLCL-UHFFFAOYSA-N 0 0 318.376 4.221 50 0 DIAARN COc1cccc(S[C@@H](C)C(=O)NCCC2=CCCCC2)c1 ZINC000040051809 183030197 /nfs/dbraw/zinc/03/01/97/183030197.db2.gz QDCAIHKEVRFVJV-AWEZNQCLSA-N 0 0 319.470 4.183 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000040059892 183030532 /nfs/dbraw/zinc/03/05/32/183030532.db2.gz OKDZNKMFPRLSFW-LBPRGKRZSA-N 0 0 305.324 4.087 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C ZINC000040062614 183030692 /nfs/dbraw/zinc/03/06/92/183030692.db2.gz WOILFFNFJWTBND-GFCCVEGCSA-N 0 0 304.415 4.116 50 0 DIAARN CCn1c2ccccc2c2cc(NC(=O)N3CCCC3)ccc21 ZINC000040070051 183030747 /nfs/dbraw/zinc/03/07/47/183030747.db2.gz NWSLJZSKDIHUSR-UHFFFAOYSA-N 0 0 307.397 4.442 50 0 DIAARN CC(=O)Nc1ccc(C(=O)CSc2ccc(C)cc2)c(F)c1 ZINC000040068579 183030917 /nfs/dbraw/zinc/03/09/17/183030917.db2.gz QRFAGSPTNQEYKE-UHFFFAOYSA-N 0 0 317.385 4.068 50 0 DIAARN C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(F)cc1 ZINC000040150020 183040244 /nfs/dbraw/zinc/04/02/44/183040244.db2.gz QIRUGQNYVDIRFH-CQSZACIVSA-N 0 0 312.388 4.265 50 0 DIAARN Cc1ccccc1CNC(=O)Nc1ccccc1OCC(C)C ZINC000040152301 183040251 /nfs/dbraw/zinc/04/02/51/183040251.db2.gz TWBKYWKJRVJPGM-UHFFFAOYSA-N 0 0 312.413 4.352 50 0 DIAARN CCCOc1c(Cl)cc(C(=O)NC(C)(C)C)cc1OCC ZINC000040159986 183041522 /nfs/dbraw/zinc/04/15/22/183041522.db2.gz DYZIVRSZEQTREA-UHFFFAOYSA-N 0 0 313.825 4.056 50 0 DIAARN Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2NC(C)C ZINC000040216747 183046545 /nfs/dbraw/zinc/04/65/45/183046545.db2.gz YTDFMKHNXMWBQI-UHFFFAOYSA-N 0 0 314.820 4.487 50 0 DIAARN C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000040074645 183031381 /nfs/dbraw/zinc/03/13/81/183031381.db2.gz WVHOHVZXSWXMFK-ZETCQYMHSA-N 0 0 301.745 4.171 50 0 DIAARN CCc1ccc([C@H](C)NC(=O)NCCSC2CCCC2)cc1 ZINC000040086459 183031715 /nfs/dbraw/zinc/03/17/15/183031715.db2.gz RXMPSDIWPHSIEW-AWEZNQCLSA-N 0 0 320.502 4.285 50 0 DIAARN CC(=O)c1cnc2sc(C(=O)OC3CCCCC3)c(C)c2c1 ZINC000040086743 183031817 /nfs/dbraw/zinc/03/18/17/183031817.db2.gz KBHKKIAMLWGMEO-UHFFFAOYSA-N 0 0 317.410 4.297 50 0 DIAARN CCc1ccc([C@@H](C)NC(=O)NCCSC2CCCC2)cc1 ZINC000040086458 183031975 /nfs/dbraw/zinc/03/19/75/183031975.db2.gz RXMPSDIWPHSIEW-CQSZACIVSA-N 0 0 320.502 4.285 50 0 DIAARN CSc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000040079925 183032290 /nfs/dbraw/zinc/03/22/90/183032290.db2.gz HUUGLLLJBVEEHV-UHFFFAOYSA-N 0 0 322.433 4.380 50 0 DIAARN Cc1ccc(C)c(NC(=O)NCCSc2ccccc2)c1 ZINC000040095003 183033761 /nfs/dbraw/zinc/03/37/61/183033761.db2.gz IRNWTMCBCOOUTD-UHFFFAOYSA-N 0 0 300.427 4.217 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)NCCc1ccc(F)cc1 ZINC000040096466 183034040 /nfs/dbraw/zinc/03/40/40/183034040.db2.gz CYJRYYRWPQZIBS-UHFFFAOYSA-N 0 0 306.768 4.152 50 0 DIAARN Cc1cc(C)cc(NC(=O)N(C)CCCOc2ccccc2)c1 ZINC000040097756 183034122 /nfs/dbraw/zinc/03/41/22/183034122.db2.gz JCWLZJUPAKUEES-UHFFFAOYSA-N 0 0 312.413 4.236 50 0 DIAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040097686 183034140 /nfs/dbraw/zinc/03/41/40/183034140.db2.gz QILQZWOLWWARPI-MRVPVSSYSA-N 0 0 324.705 4.285 50 0 DIAARN CCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000040095560 183034219 /nfs/dbraw/zinc/03/42/19/183034219.db2.gz GWFZAECCVSSJSI-LSDHHAIUSA-N 0 0 302.418 4.129 50 0 DIAARN Cc1cc(NC(=O)N(C)Cc2ccco2)ccc1Br ZINC000040097452 183034298 /nfs/dbraw/zinc/03/42/98/183034298.db2.gz IDABVKSDPZFCIU-UHFFFAOYSA-N 0 0 323.190 4.014 50 0 DIAARN CC[C@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000040095217 183034323 /nfs/dbraw/zinc/03/43/23/183034323.db2.gz JOMWWJGBHUYMFO-NSHDSACASA-N 0 0 311.223 4.103 50 0 DIAARN CCc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000040097933 183034859 /nfs/dbraw/zinc/03/48/59/183034859.db2.gz AJEYTQQDFHTFKO-LBPRGKRZSA-N 0 0 316.376 4.279 50 0 DIAARN CCc1cccc(CC)c1NC(=O)NCc1ccc(OC)cc1 ZINC000040098995 183034969 /nfs/dbraw/zinc/03/49/69/183034969.db2.gz YSALQYQZRUIHHP-UHFFFAOYSA-N 0 0 312.413 4.142 50 0 DIAARN CC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)s1 ZINC000040104045 183035176 /nfs/dbraw/zinc/03/51/76/183035176.db2.gz KSIBNGBPMGKQIL-SNVBAGLBSA-N 0 0 322.409 4.026 50 0 DIAARN CC(C)c1nnc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000040104044 183035347 /nfs/dbraw/zinc/03/53/47/183035347.db2.gz KSIBNGBPMGKQIL-JTQLQIEISA-N 0 0 322.409 4.026 50 0 DIAARN CN(CCCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000040105474 183035685 /nfs/dbraw/zinc/03/56/85/183035685.db2.gz KJYMRHVHHBCTJN-UHFFFAOYSA-N 0 0 302.805 4.437 50 0 DIAARN Cc1cc(N(C)C)ccc1NC(=O)CCCc1cccs1 ZINC000040106881 183035758 /nfs/dbraw/zinc/03/57/58/183035758.db2.gz LBAGSSRFYNLANT-UHFFFAOYSA-N 0 0 302.443 4.084 50 0 DIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)CCc2ccsc2)c1 ZINC000040107192 183036193 /nfs/dbraw/zinc/03/61/93/183036193.db2.gz MMMVCJLAEZPAHO-CQSZACIVSA-N 0 0 317.454 4.345 50 0 DIAARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CCCCC1 ZINC000040108468 183036574 /nfs/dbraw/zinc/03/65/74/183036574.db2.gz VXJVQAJLFYEKKZ-LBPRGKRZSA-N 0 0 324.262 4.077 50 0 DIAARN C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1 ZINC000040134918 183039201 /nfs/dbraw/zinc/03/92/01/183039201.db2.gz NDNJZFILQMSSFE-CYBMUJFWSA-N 0 0 311.429 4.007 50 0 DIAARN C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1cccc(F)c1 ZINC000040141183 183039421 /nfs/dbraw/zinc/03/94/21/183039421.db2.gz PUGIXYHJZMCQSO-KGLIPLIRSA-N 0 0 317.429 4.325 50 0 DIAARN CC(C)CN(CC(F)(F)F)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040150034 183039829 /nfs/dbraw/zinc/03/98/29/183039829.db2.gz ANNXUYXMPICHKX-NSHDSACASA-N 0 0 320.330 4.117 50 0 DIAARN O=Cc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000040447852 183068279 /nfs/dbraw/zinc/06/82/79/183068279.db2.gz KBWGSVJVHNZPDJ-UHFFFAOYSA-N 0 0 301.651 4.359 50 0 DIAARN Cc1nc(CN[C@H](C)c2ccc(Br)cc2)cs1 ZINC000040418844 183063634 /nfs/dbraw/zinc/06/36/34/183063634.db2.gz MDMJTWRCMBRJOD-SECBINFHSA-N 0 0 311.248 4.065 50 0 DIAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(C)c1 ZINC000040478315 183075780 /nfs/dbraw/zinc/07/57/80/183075780.db2.gz HDSUWAXAODNXFT-UHFFFAOYSA-N 0 0 323.371 4.393 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)CCCc1nc(C(C)C)no1 ZINC000040515706 183088730 /nfs/dbraw/zinc/08/87/30/183088730.db2.gz DDKTVKMFURMNSV-UHFFFAOYSA-N 0 0 321.808 4.116 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000040525389 183091979 /nfs/dbraw/zinc/09/19/79/183091979.db2.gz KGDYCFSKMRCQQD-LBPRGKRZSA-N 0 0 300.324 4.110 50 0 DIAARN CCN(C(=O)Nc1ccc(OC)cc1)[C@H](C)c1cccc(O)c1 ZINC000040556390 183102497 /nfs/dbraw/zinc/10/24/97/183102497.db2.gz MCACTWLESDDDIH-CYBMUJFWSA-N 0 0 314.385 4.016 50 0 DIAARN CCc1nc2sc(C)cc2c(NCc2ccc(OC)cc2)n1 ZINC000041090657 183163779 /nfs/dbraw/zinc/16/37/79/183163779.db2.gz OKANSIVSGHOECP-UHFFFAOYSA-N 0 0 313.426 4.183 50 0 DIAARN Cc1ccccc1-c1nc(Cn2cnc3cc(C)c(C)cc32)no1 ZINC000041146277 183176261 /nfs/dbraw/zinc/17/62/61/183176261.db2.gz LXSHVRMFJZXOTK-UHFFFAOYSA-N 0 0 318.380 4.060 50 0 DIAARN CCOc1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1 ZINC000041146120 183176479 /nfs/dbraw/zinc/17/64/79/183176479.db2.gz ONHPPRKGZJKNCA-UHFFFAOYSA-N 0 0 302.761 4.194 50 0 DIAARN COc1ccccc1NC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000041335264 183185984 /nfs/dbraw/zinc/18/59/84/183185984.db2.gz AJUGVXJMPOYAGS-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN O=C(NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000042238965 183245923 /nfs/dbraw/zinc/24/59/23/183245923.db2.gz MGVGNKDNNLWVNE-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN CC(C)CO[C@@H](C)C(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000042474077 183273609 /nfs/dbraw/zinc/27/36/09/183273609.db2.gz UTCSDVGZXRMTMK-YOEHRIQHSA-N 0 0 317.454 4.015 50 0 DIAARN C[C@@H]1CO[P@](=O)([C@H](NCc2ccccc2)c2ccccc2)O1 ZINC000042378157 183261600 /nfs/dbraw/zinc/26/16/00/183261600.db2.gz PDLSNYZPQRGGCF-AOSWFRPUSA-N 0 0 317.325 4.103 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)o1 ZINC000042796632 183309869 /nfs/dbraw/zinc/30/98/69/183309869.db2.gz IVHMECNKSYWAPK-ZTFGCOKTSA-N 0 0 324.424 4.094 50 0 DIAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000043155530 183341345 /nfs/dbraw/zinc/34/13/45/183341345.db2.gz HQANHALYPAFWAA-MRXNPFEDSA-N 0 0 302.324 4.334 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)no1 ZINC000043146484 183341693 /nfs/dbraw/zinc/34/16/93/183341693.db2.gz GIIBRYHWDAZJBJ-AWEZNQCLSA-N 0 0 305.765 4.005 50 0 DIAARN O=C(Nc1cccc2cnccc21)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000043162317 183342351 /nfs/dbraw/zinc/34/23/51/183342351.db2.gz ZCQSAVUMBZLUAE-HOCLYGCPSA-N 0 0 309.413 4.279 50 0 DIAARN O=C(c1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000043210026 183344464 /nfs/dbraw/zinc/34/44/64/183344464.db2.gz CGRPWIDVINYOID-UHFFFAOYSA-N 0 0 313.553 4.473 50 0 DIAARN O=C(c1cccc(Br)c1)c1ccc(Cl)c(F)c1 ZINC000043210070 183344533 /nfs/dbraw/zinc/34/45/33/183344533.db2.gz AYPHPSYLEVVAHE-UHFFFAOYSA-N 0 0 313.553 4.473 50 0 DIAARN CC(=O)C[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 ZINC000102278009 193872132 /nfs/dbraw/zinc/87/21/32/193872132.db2.gz SCJOTLHZVRYEBY-WFXOGFMASA-N 0 0 310.353 4.001 50 0 DIAARN CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000043333116 183355852 /nfs/dbraw/zinc/35/58/52/183355852.db2.gz SAXBYFYUJCSUGW-LLVKDONJSA-N 0 0 320.339 4.246 50 0 DIAARN CCOc1ccccc1NC(=O)N(C)Cc1sccc1C ZINC000043332601 183355947 /nfs/dbraw/zinc/35/59/47/183355947.db2.gz UHCRMFWMODIFGS-UHFFFAOYSA-N 0 0 304.415 4.119 50 0 DIAARN O=C(NCc1ccccc1)Nc1ccccc1SC(F)F ZINC000043552845 183370984 /nfs/dbraw/zinc/37/09/84/183370984.db2.gz XNXBSXZYWUDOKV-UHFFFAOYSA-N 0 0 308.353 4.323 50 0 DIAARN O=C(NCc1cccc(F)c1)C(c1ccccc1)c1ccccc1 ZINC000043740207 183384377 /nfs/dbraw/zinc/38/43/77/183384377.db2.gz ABGHJRBQZWAFBY-UHFFFAOYSA-N 0 0 319.379 4.274 50 0 DIAARN CCOC(=O)[C@H]1CCCCCCCCCC[C@@H]1C(=O)OCC ZINC000043761956 183384965 /nfs/dbraw/zinc/38/49/65/183384965.db2.gz RPCBKHAJAMHIQM-HOTGVXAUSA-N 0 0 312.450 4.260 50 0 DIAARN CC(=O)c1cnc(N(C)c2cccc(Cl)c2Cl)s1 ZINC000043798941 183386253 /nfs/dbraw/zinc/38/62/53/183386253.db2.gz XEKCRYLJRURCCR-UHFFFAOYSA-N 0 0 301.198 4.420 50 0 DIAARN CCC(C)(C)[C@]1(C(C)(C)C)C(=O)N(C)C[C@@H]1c1cccnc1 ZINC000044124099 183395823 /nfs/dbraw/zinc/39/58/23/183395823.db2.gz NCWYLZJHYGSCKP-BEFAXECRSA-N 0 0 302.462 4.106 50 0 DIAARN CC(C)(C)C(=O)NCc1cccc(Oc2ccc(F)cc2)c1 ZINC000044226144 183398879 /nfs/dbraw/zinc/39/88/79/183398879.db2.gz SJOYTHGBMVHGRK-UHFFFAOYSA-N 0 0 301.361 4.280 50 0 DIAARN O=C(c1ccccc1Br)c1cncc2ccccc21 ZINC000045028884 183476589 /nfs/dbraw/zinc/47/65/89/183476589.db2.gz JDBJQEBAOLNQHS-UHFFFAOYSA-N 0 0 312.166 4.228 50 0 DIAARN COc1cccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c1 ZINC000102730929 193921230 /nfs/dbraw/zinc/92/12/30/193921230.db2.gz YLHQXJHCRMVPIO-MRXNPFEDSA-N 0 0 310.353 4.206 50 0 DIAARN C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000045950684 183539901 /nfs/dbraw/zinc/53/99/01/183539901.db2.gz GRZKXSYWGIJRQC-SNVBAGLBSA-N 0 0 324.302 4.310 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018566 183544038 /nfs/dbraw/zinc/54/40/38/183544038.db2.gz MZCPRKVWUPPPNP-INIZCTEOSA-N 0 0 314.360 4.203 50 0 DIAARN Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000046018401 183543179 /nfs/dbraw/zinc/54/31/79/183543179.db2.gz OTSXCWFRSJUQLB-IBGZPJMESA-N 0 0 308.425 4.350 50 0 DIAARN O=C(NCCc1ccsc1)c1ccccc1SC(F)F ZINC000046242949 183558553 /nfs/dbraw/zinc/55/85/53/183558553.db2.gz KGWNJRWZTCEJAB-UHFFFAOYSA-N 0 0 313.394 4.035 50 0 DIAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1nccs1 ZINC000048180570 183625626 /nfs/dbraw/zinc/62/56/26/183625626.db2.gz NOVYDZXKUMNDEG-UHFFFAOYSA-N 0 0 316.407 4.133 50 0 DIAARN CSc1cc(-c2csc(C3CC3)n2)ccc1NC(C)=O ZINC000048374293 183652913 /nfs/dbraw/zinc/65/29/13/183652913.db2.gz PFPZKGTVUXRBRB-UHFFFAOYSA-N 0 0 304.440 4.368 50 0 DIAARN CCCOc1ccc([C@@H](C)NC(=O)C[C@H]2C=CCC2)cc1OC ZINC000048374928 183653461 /nfs/dbraw/zinc/65/34/61/183653461.db2.gz GRZDUJWLKRAHBB-CABCVRRESA-N 0 0 317.429 4.018 50 0 DIAARN COc1ccc2c(cc(C(=O)Nc3cccc(C)c3C)n2C)c1 ZINC000048512687 183663044 /nfs/dbraw/zinc/66/30/44/183663044.db2.gz PCLOPWQADITMRI-UHFFFAOYSA-N 0 0 308.381 4.056 50 0 DIAARN CCN(CC)c1ccc2c(C)c([C@H]3CCCCO3)c(=O)oc2c1 ZINC000050073003 183771770 /nfs/dbraw/zinc/77/17/70/183771770.db2.gz IMCCPIDMKLLIRP-MRXNPFEDSA-N 0 0 315.413 4.189 50 0 DIAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NC(=S)N2)cc1 ZINC000051329825 183823835 /nfs/dbraw/zinc/82/38/35/183823835.db2.gz JPUXFXIPYPMAEU-HNNXBMFYSA-N 0 0 314.841 4.208 50 0 DIAARN Clc1ccc([C@@H]2CN(c3nc4ccccc4o3)CCO2)cc1 ZINC000052489745 183861823 /nfs/dbraw/zinc/86/18/23/183861823.db2.gz CKLIZSMUHPPSIZ-INIZCTEOSA-N 0 0 314.772 4.059 50 0 DIAARN Cc1cc(N2CCC(c3nc4ccccc4s3)CC2)nnc1C ZINC000110100207 194310504 /nfs/dbraw/zinc/31/05/04/194310504.db2.gz KKWUHFNOJRTSIP-UHFFFAOYSA-N 0 0 324.453 4.087 50 0 DIAARN CCc1ccc([C@H]2NCc3c(OC)cccc3-n3cccc32)cc1 ZINC000053107463 183887877 /nfs/dbraw/zinc/88/78/77/183887877.db2.gz LOKRTCCBPKXYIZ-OAQYLSRUSA-N 0 0 318.420 4.241 50 0 DIAARN O=C(NCc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1F ZINC000053155939 183890347 /nfs/dbraw/zinc/89/03/47/183890347.db2.gz PPWFTWUGKQEWBO-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN O=C(/C=C/c1ccccn1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000055392496 183983986 /nfs/dbraw/zinc/98/39/86/183983986.db2.gz WUUDNQIILMDVFE-SJFMBGHLSA-N 0 0 324.399 4.282 50 0 DIAARN CCOc1ccc(CCCC(=O)N[C@@H](C)c2ccco2)cc1C ZINC000055413338 183985687 /nfs/dbraw/zinc/98/56/87/183985687.db2.gz XXJGNIRVBQSYHA-HNNXBMFYSA-N 0 0 315.413 4.187 50 0 DIAARN CC(C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000057129147 184028069 /nfs/dbraw/zinc/02/80/69/184028069.db2.gz TZKRYYUSHJJOQG-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN CCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 ZINC000057477024 184039880 /nfs/dbraw/zinc/03/98/80/184039880.db2.gz AWQAVZQGEHYYFB-UHFFFAOYSA-N 0 0 305.381 4.200 50 0 DIAARN COc1ccc(Nc2ncnc3ccc(Cl)cc32)cc1OC ZINC000057519772 184040704 /nfs/dbraw/zinc/04/07/04/184040704.db2.gz YDQMDAUVZKTPFE-UHFFFAOYSA-N 0 0 315.760 4.044 50 0 DIAARN c1c2ccccc2sc1-c1nc2c3ccccc3ncn2n1 ZINC000058047144 184070832 /nfs/dbraw/zinc/07/08/32/184070832.db2.gz ZXDZSNNVIIMIGJ-UHFFFAOYSA-N 0 0 302.362 4.159 50 0 DIAARN Cc1ccc(-c2nc(C[S@](=O)Cc3ccccc3)co2)cc1 ZINC000058067560 184073104 /nfs/dbraw/zinc/07/31/04/184073104.db2.gz AZWOYBFFXWPZAQ-QFIPXVFZSA-N 0 0 311.406 4.099 50 0 DIAARN CC(C)CCN(C(=O)Nc1ccccc1N1CCCC1)C1CC1 ZINC000057992590 184065646 /nfs/dbraw/zinc/06/56/46/184065646.db2.gz CGAUIFDUYZGRGJ-UHFFFAOYSA-N 0 0 315.461 4.329 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccc[nH]1 ZINC000058210473 184088939 /nfs/dbraw/zinc/08/89/39/184088939.db2.gz XXJZSTJNZNSUKS-CQSZACIVSA-N 0 0 323.318 4.403 50 0 DIAARN C[C@H](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000058223468 184090144 /nfs/dbraw/zinc/09/01/44/184090144.db2.gz RZHVEMTYAQWHET-YLJYHZDGSA-N 0 0 322.452 4.404 50 0 DIAARN Cc1ccc(C(=O)OCc2nc(Cl)ccc2Cl)s1 ZINC000058232455 184092440 /nfs/dbraw/zinc/09/24/40/184092440.db2.gz PGYDRFKQDAWTRA-UHFFFAOYSA-N 0 0 302.182 4.115 50 0 DIAARN CSc1nc2ncnc(Oc3ccc(C)c(C)c3)c2s1 ZINC000058142633 184080718 /nfs/dbraw/zinc/08/07/18/184080718.db2.gz INRIITUHPMGPJU-UHFFFAOYSA-N 0 0 303.412 4.217 50 0 DIAARN Cc1nn(C)c2ncc(/C=C/c3nc4cc(C)ccc4s3)cc12 ZINC000058154134 184081501 /nfs/dbraw/zinc/08/15/01/184081501.db2.gz BVARGEIWYBHVSD-FNORWQNLSA-N 0 0 320.421 4.365 50 0 DIAARN CC(C)N(Cc1ccccn1)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000058393171 184111588 /nfs/dbraw/zinc/11/15/88/184111588.db2.gz IOEAGKAYGMQXFG-OAHLLOKOSA-N 0 0 314.404 4.152 50 0 DIAARN COC[C@H](C)c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 ZINC000058328616 184105903 /nfs/dbraw/zinc/10/59/03/184105903.db2.gz ULUYSVXTMGXUAO-LBPRGKRZSA-N 0 0 318.442 4.155 50 0 DIAARN Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000058844066 184129921 /nfs/dbraw/zinc/12/99/21/184129921.db2.gz JZVRWPJYUHHRCC-UHFFFAOYSA-N 0 0 324.302 4.215 50 0 DIAARN CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000058869609 184130401 /nfs/dbraw/zinc/13/04/01/184130401.db2.gz ZFLDTFYJETVVJS-ZDUSSCGKSA-N 0 0 303.789 4.160 50 0 DIAARN COCc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000058431543 184117848 /nfs/dbraw/zinc/11/78/48/184117848.db2.gz MWHPEDSWIYVBAH-UONOGXRCSA-N 0 0 315.335 4.140 50 0 DIAARN C[C@@H](Sc1ncccc1Cl)C(=O)N(C)C1CCCCC1 ZINC000058528716 184121778 /nfs/dbraw/zinc/12/17/78/184121778.db2.gz SNWCHYPKESVSPK-LLVKDONJSA-N 0 0 312.866 4.007 50 0 DIAARN CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)[C@H](C)C(C)C ZINC000060302660 184146222 /nfs/dbraw/zinc/14/62/22/184146222.db2.gz ZBSOQOAWTZPMBY-MRXNPFEDSA-N 0 0 304.478 4.428 50 0 DIAARN CC(C)c1nnc(CNC(c2ccccc2)c2ccccc2)o1 ZINC000060371435 184147350 /nfs/dbraw/zinc/14/73/50/184147350.db2.gz JORHXDFBKIJIEE-UHFFFAOYSA-N 0 0 307.397 4.072 50 0 DIAARN CN(Cc1ccccn1)C(=O)c1sc2ccccc2c1Cl ZINC000059898915 184142591 /nfs/dbraw/zinc/14/25/91/184142591.db2.gz LEQITIGGRANDAD-UHFFFAOYSA-N 0 0 316.813 4.222 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)nc1Cl ZINC000060098555 184143719 /nfs/dbraw/zinc/14/37/19/184143719.db2.gz GWPNFRFKJQPJCK-UHFFFAOYSA-N 0 0 321.085 4.058 50 0 DIAARN CN(c1ccccc1)c1ccccc1C(=O)Nc1ccccc1O ZINC000060885081 184157461 /nfs/dbraw/zinc/15/74/61/184157461.db2.gz UDGWQDYAFWFLAI-UHFFFAOYSA-N 0 0 318.376 4.412 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cccc2)cc1 ZINC000061718693 184185493 /nfs/dbraw/zinc/18/54/93/184185493.db2.gz DPKZHERLEXFTMY-UHFFFAOYSA-N 0 0 315.376 4.140 50 0 DIAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(=S)[nH]n1 ZINC000061966059 184198875 /nfs/dbraw/zinc/19/88/75/184198875.db2.gz HBDWOBYDBFJSCG-UHFFFAOYSA-N 0 0 303.387 4.003 50 0 DIAARN CC[C@H](CNC(=O)c1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000061997276 184200529 /nfs/dbraw/zinc/20/05/29/184200529.db2.gz FCZCKGYYZLCENN-CYBMUJFWSA-N 0 0 317.816 4.272 50 0 DIAARN C[C@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000063282768 184280366 /nfs/dbraw/zinc/28/03/66/184280366.db2.gz IKNMZCNHGRRVTJ-HNNXBMFYSA-N 0 0 318.424 4.318 50 0 DIAARN c1cn2cc(CSc3nnc(C4CCCCC4)o3)nc2s1 ZINC000064308343 184293819 /nfs/dbraw/zinc/29/38/19/184293819.db2.gz BONKQGKFSUIUOM-UHFFFAOYSA-N 0 0 320.443 4.119 50 0 DIAARN Cc1ccnn1-c1cccc(NC(=O)NC2CCCCCC2)c1 ZINC000064356977 184295270 /nfs/dbraw/zinc/29/52/70/184295270.db2.gz UBGDZTNBBMZUIN-UHFFFAOYSA-N 0 0 312.417 4.025 50 0 DIAARN CC(C)NC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064471428 184298284 /nfs/dbraw/zinc/29/82/84/184298284.db2.gz ZXLPGKRTQVTONO-UHFFFAOYSA-N 0 0 310.422 4.344 50 0 DIAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000064579801 184300662 /nfs/dbraw/zinc/30/06/62/184300662.db2.gz ZFTNWBCSYZVWAN-MRXNPFEDSA-N 0 0 315.800 4.326 50 0 DIAARN COC(=O)c1cc(OCc2ccc(C)cc2)c2cc(C)ccc2n1 ZINC000064775168 184303358 /nfs/dbraw/zinc/30/33/58/184303358.db2.gz DPTHUWSLNIBWEF-UHFFFAOYSA-N 0 0 321.376 4.217 50 0 DIAARN Cc1ccc2cnn(C(=O)Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000064925890 184306169 /nfs/dbraw/zinc/30/61/69/184306169.db2.gz QMZORPUGMWRWSX-UHFFFAOYSA-N 0 0 319.286 4.444 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2cc(C)cc(C)c2)on1 ZINC000064985029 184307591 /nfs/dbraw/zinc/30/75/91/184307591.db2.gz IBCUIVXUCHCWKG-INIZCTEOSA-N 0 0 313.401 4.223 50 0 DIAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064984697 184307600 /nfs/dbraw/zinc/30/76/00/184307600.db2.gz NIHWATSKQRVPGT-INIZCTEOSA-N 0 0 313.401 4.475 50 0 DIAARN COC(=O)c1cc(Nc2cccc(SC)c2)c2ccccc2n1 ZINC000065033540 184308811 /nfs/dbraw/zinc/30/88/11/184308811.db2.gz ZCLZAELVBLZACJ-UHFFFAOYSA-N 0 0 324.405 4.487 50 0 DIAARN Cc1cccc(-c2ccc(C(=O)NCCc3ccccc3)cn2)c1 ZINC000065030043 184309028 /nfs/dbraw/zinc/30/90/28/184309028.db2.gz SXYDIIRXJBHRPX-UHFFFAOYSA-N 0 0 316.404 4.030 50 0 DIAARN Cc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)nc1 ZINC000065030081 184309038 /nfs/dbraw/zinc/30/90/38/184309038.db2.gz CYJIYRSAIRGBAD-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN CCc1ccc2nc(C(=O)OC)cc(Nc3ccccc3)c2c1 ZINC000065033739 184309086 /nfs/dbraw/zinc/30/90/86/184309086.db2.gz CQBCOEDKHYKBIP-UHFFFAOYSA-N 0 0 306.365 4.327 50 0 DIAARN COc1cccc(NC(=O)c2ccnc(-c3ccsc3)c2)c1 ZINC000065063132 184309703 /nfs/dbraw/zinc/30/97/03/184309703.db2.gz MCPQPCZHHAZRKE-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2ccnc(-c3ccsc3)c2)cc1 ZINC000065063130 184309759 /nfs/dbraw/zinc/30/97/59/184309759.db2.gz ARCLCDURZZUUII-UHFFFAOYSA-N 0 0 322.389 4.265 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N3CCCCCC3)ccn2)s1 ZINC000065063108 184309833 /nfs/dbraw/zinc/30/98/33/184309833.db2.gz HSECPTBBFWYTFE-UHFFFAOYSA-N 0 0 300.427 4.135 50 0 DIAARN O=C(NC1CCCCCC1)c1ccnc(-c2cccs2)c1 ZINC000065063061 184310032 /nfs/dbraw/zinc/31/00/32/184310032.db2.gz LIVREGWLZXFUNK-UHFFFAOYSA-N 0 0 300.427 4.263 50 0 DIAARN Cc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)s1 ZINC000065137254 184311461 /nfs/dbraw/zinc/31/14/61/184311461.db2.gz VHQCMIJRGPXBOJ-UHFFFAOYSA-N 0 0 322.393 4.174 50 0 DIAARN CCc1nc2cc(-c3noc(-c4ccccc4OC)n3)ccc2o1 ZINC000065149748 184311844 /nfs/dbraw/zinc/31/18/44/184311844.db2.gz GGWNHHFIQWDOQQ-UHFFFAOYSA-N 0 0 321.336 4.116 50 0 DIAARN Cc1cccc(-c2ncccc2CNC(=O)c2ccccc2F)c1 ZINC000065171224 184313550 /nfs/dbraw/zinc/31/35/50/184313550.db2.gz FKGHRLJONWRVLD-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN O=C(NCc1cccnc1-c1ccccc1)c1cccc(Cl)c1 ZINC000065171396 184313668 /nfs/dbraw/zinc/31/36/68/184313668.db2.gz RRBSDTXXYFMLJS-UHFFFAOYSA-N 0 0 322.795 4.332 50 0 DIAARN c1oc(-c2ccccc2)nc1COc1ccc2ncccc2c1 ZINC000065206035 184314609 /nfs/dbraw/zinc/31/46/09/184314609.db2.gz HMFILKLZPHFNDO-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN Cc1cc(C)cc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1 ZINC000065219830 184314917 /nfs/dbraw/zinc/31/49/17/184314917.db2.gz HCZBRYKDYKYWBD-UHFFFAOYSA-N 0 0 321.424 4.164 50 0 DIAARN CCc1ccc(-c2cn3cc(C(=O)N(CC)CC)ccc3n2)cc1 ZINC000065229940 184315814 /nfs/dbraw/zinc/31/58/14/184315814.db2.gz XMFNVBFIUZNZES-UHFFFAOYSA-N 0 0 321.424 4.046 50 0 DIAARN CC(C)c1ccc(N[C@@H]2CCCN(Cc3nccs3)C2)cc1 ZINC000064622473 184301788 /nfs/dbraw/zinc/30/17/88/184301788.db2.gz AMOLDIYKOWQSSK-QGZVFWFLSA-N 0 0 315.486 4.343 50 0 DIAARN Cc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)s1 ZINC000064676524 184302186 /nfs/dbraw/zinc/30/21/86/184302186.db2.gz ZNNGWUGEEIURIU-UHFFFAOYSA-N 0 0 314.435 4.110 50 0 DIAARN Cc1nc(-c2ccc(-c3noc(-c4ccccn4)n3)cc2)cs1 ZINC000064669047 184302309 /nfs/dbraw/zinc/30/23/09/184302309.db2.gz XGZPULASVADVLL-UHFFFAOYSA-N 0 0 320.377 4.231 50 0 DIAARN CC[C@@H](C)Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000064676859 184302323 /nfs/dbraw/zinc/30/23/23/184302323.db2.gz ZSPZPJHCYKVQEI-LLVKDONJSA-N 0 0 312.348 4.148 50 0 DIAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)n1C ZINC000064676626 184302370 /nfs/dbraw/zinc/30/23/70/184302370.db2.gz QIJLZYUVZMFAJS-UHFFFAOYSA-N 0 0 311.410 4.018 50 0 DIAARN Cc1nc(-c2ccc(C(=O)NCc3cccs3)cc2)cs1 ZINC000064677380 184302689 /nfs/dbraw/zinc/30/26/89/184302689.db2.gz KIOXAZHFSGJUST-UHFFFAOYSA-N 0 0 314.435 4.110 50 0 DIAARN COc1ccc(-c2cccc3c2CCN(C(=O)C2CC2)[C@@H]3C)cc1 ZINC000065293113 184323810 /nfs/dbraw/zinc/32/38/10/184323810.db2.gz CFLMSZMRGRNVGD-CQSZACIVSA-N 0 0 321.420 4.218 50 0 DIAARN Brc1ccccc1OCCOCc1ccccc1 ZINC000065337450 184324961 /nfs/dbraw/zinc/32/49/61/184324961.db2.gz GCBUJRPCJIWYRF-UHFFFAOYSA-N 0 0 307.187 4.045 50 0 DIAARN CCN(C(=O)c1ccc2oc(C)cc2c1)[C@H]1CCOC(C)(C)C1 ZINC000065373156 184330494 /nfs/dbraw/zinc/33/04/94/184330494.db2.gz YFKCWSBTTUIGQU-INIZCTEOSA-N 0 0 315.413 4.161 50 0 DIAARN C[C@@H](Cn1cnc(-c2ccccc2)c1C1CC1)Oc1cccnc1 ZINC000065373334 184330878 /nfs/dbraw/zinc/33/08/78/184330878.db2.gz BWJLEPACNJCEPC-HNNXBMFYSA-N 0 0 319.408 4.290 50 0 DIAARN C/C=C(\C)c1c(-c2ccccc2)ncn1Cc1noc(C2CC2)n1 ZINC000065395418 184335152 /nfs/dbraw/zinc/33/51/52/184335152.db2.gz QRLSTYQKMBZHIX-QLKAYGNNSA-N 0 0 320.396 4.282 50 0 DIAARN CCN(C(=O)c1ccc(CNc2ccc(C)cc2)cc1)C1CC1 ZINC000065408438 184339251 /nfs/dbraw/zinc/33/92/51/184339251.db2.gz UZZMJGTYRYMZHD-UHFFFAOYSA-N 0 0 308.425 4.232 50 0 DIAARN COc1ccc(F)c(CN(C)[C@@H](C)c2ccncc2)c1Cl ZINC000065431288 184343876 /nfs/dbraw/zinc/34/38/76/184343876.db2.gz LGXAVCRMYDAWLP-NSHDSACASA-N 0 0 308.784 4.076 50 0 DIAARN CCc1cc(-c2ccc(OC)c3ncccc23)ccc1NC(C)=O ZINC000065461127 184348992 /nfs/dbraw/zinc/34/89/92/184348992.db2.gz AWIZBZHOAAUTIP-UHFFFAOYSA-N 0 0 320.392 4.431 50 0 DIAARN O[C@@H](CSCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000065477776 184352712 /nfs/dbraw/zinc/35/27/12/184352712.db2.gz UUCQXOBDPYATQP-AWEZNQCLSA-N 0 0 317.435 4.370 50 0 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0 DIAARN Cc1cc([C@@H]2CC(=O)Nc3cc(Oc4ccccc4)ccc32)on1 ZINC000065505526 184356939 /nfs/dbraw/zinc/35/69/39/184356939.db2.gz GEPXDNIDEUSIEV-MRXNPFEDSA-N 0 0 320.348 4.249 50 0 DIAARN FC(F)(F)c1ccc(Br)c(Br)c1 ZINC000066055359 184386027 /nfs/dbraw/zinc/38/60/27/184386027.db2.gz CFWJTWLWDMJECT-UHFFFAOYSA-N 0 0 303.903 4.230 50 0 DIAARN COc1cc(Cl)ccc1C(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000067057881 184448090 /nfs/dbraw/zinc/44/80/90/184448090.db2.gz IOZFSAVNRNFZJL-NSHDSACASA-N 0 0 319.788 4.307 50 0 DIAARN O=C(Nc1ccn(-c2ccccc2)n1)c1sccc1C1CC1 ZINC000067144073 184451530 /nfs/dbraw/zinc/45/15/30/184451530.db2.gz XISOWRFKZXCAAM-UHFFFAOYSA-N 0 0 309.394 4.064 50 0 DIAARN CNC(=O)c1cc(-c2cccc([C@H](C)OC)c2)ccc1Cl ZINC000067819072 184487110 /nfs/dbraw/zinc/48/71/10/184487110.db2.gz QHMMMKKHNIORPN-NSHDSACASA-N 0 0 303.789 4.074 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(F)ccc2s1 ZINC000008314077 256522725 /nfs/dbraw/zinc/52/27/25/256522725.db2.gz DAMOIBXRTXCJOZ-UHFFFAOYSA-N 0 0 315.325 4.021 50 0 DIAARN COc1ccc(C(C)=O)c2c(OC(=O)c3ccccc3)cccc12 ZINC000030822780 256531840 /nfs/dbraw/zinc/53/18/40/256531840.db2.gz KHRSLUNXARRAOS-UHFFFAOYSA-N 0 0 320.344 4.270 50 0 DIAARN Cc1ccn(-c2cccc(C(=O)Nc3cccc(C)c3C)c2)n1 ZINC000048310375 256535638 /nfs/dbraw/zinc/53/56/38/256535638.db2.gz MWSXPBVPDIHMSI-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN COc1cc(F)c(NC(=O)c2c(F)cccc2Cl)cc1F ZINC000124578067 256586119 /nfs/dbraw/zinc/58/61/19/256586119.db2.gz QJUNCHSQMLNZDF-UHFFFAOYSA-N 0 0 315.678 4.018 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@H]1C ZINC000239352636 256601200 /nfs/dbraw/zinc/60/12/00/256601200.db2.gz ACVRCDJPGAOOKO-IPYPFGDCSA-N 0 0 317.477 4.070 50 0 DIAARN CCC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000241588430 256603991 /nfs/dbraw/zinc/60/39/91/256603991.db2.gz PDCMQJCRBWHSHZ-XUVXKRRUSA-N 0 0 320.436 4.111 50 0 DIAARN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000241965695 256604008 /nfs/dbraw/zinc/60/40/08/256604008.db2.gz 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/nfs/dbraw/zinc/25/59/86/257255986.db2.gz YPSOSUYMCFSWBM-UHFFFAOYSA-N 0 0 306.369 4.128 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000250905100 257259096 /nfs/dbraw/zinc/25/90/96/257259096.db2.gz QGKQXZFZOIQFBI-GAXNORQESA-N 0 0 306.490 4.141 50 0 biogenic DIAARN CCOC(=O)c1c2c(sc1NC(C)=O)C[C@H](C(C)(C)C)CC2 ZINC000000129639 257266500 /nfs/dbraw/zinc/26/65/00/257266500.db2.gz VGSHFACDAVDNNW-LLVKDONJSA-N 0 0 323.458 4.034 50 0 DIAARN CCCCc1nc2ccccc2n1C[C@H](O)c1ccccc1F ZINC000028909248 257269579 /nfs/dbraw/zinc/26/95/79/257269579.db2.gz REPMQUXKBMEPGK-SFHVURJKSA-N 0 0 312.388 4.252 50 0 DIAARN Cc1cc(N2CCCCC2)nc2sc3c(ncnc3Cl)c21 ZINC000071282551 257270309 /nfs/dbraw/zinc/27/03/09/257270309.db2.gz RBJRJQVVSFCQSW-UHFFFAOYSA-N 0 0 318.833 4.192 50 0 DIAARN COc1cc(-c2cc(NC3CCCC3)nc3[nH]ccc32)ccc1O ZINC000071762932 257270442 /nfs/dbraw/zinc/27/04/42/257270442.db2.gz XHEISVBKHVXQEB-UHFFFAOYSA-N 0 0 323.396 4.299 50 0 DIAARN O=C(C[C@@H]1C=CCC1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071840044 184864975 /nfs/dbraw/zinc/86/49/75/184864975.db2.gz BDKLYYOCPWJKBF-OAHLLOKOSA-N 0 0 308.425 4.230 50 0 DIAARN C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000072025429 184922946 /nfs/dbraw/zinc/92/29/46/184922946.db2.gz GYBZJGDOYXTTNE-GFCCVEGCSA-N 0 0 320.795 4.082 50 0 DIAARN Cc1nnc([C@@H](C)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)o1 ZINC000071902383 184896594 /nfs/dbraw/zinc/89/65/94/184896594.db2.gz GKWQQQGPFMAPBR-NKWVEPMBSA-N 0 0 318.179 4.236 50 0 DIAARN C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1c(F)cccc1F ZINC000071902699 184896773 /nfs/dbraw/zinc/89/67/73/184896773.db2.gz RCBMQPGQJRAZTH-NSHDSACASA-N 0 0 316.351 4.047 50 0 DIAARN Cc1cnccc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000120983177 195276366 /nfs/dbraw/zinc/27/63/66/195276366.db2.gz PTLDYFAWUNZERH-UHFFFAOYSA-N 0 0 313.376 4.120 50 0 DIAARN CO[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000121744064 195338911 /nfs/dbraw/zinc/33/89/11/195338911.db2.gz WYIQHXUGXZNJQK-OAHLLOKOSA-N 0 0 324.207 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Cc1nnc([C@@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 ZINC000071902547 563331052 /nfs/dbraw/zinc/33/10/52/563331052.db2.gz CLCZNRREPYESQN-LLVKDONJSA-N 0 0 313.332 4.483 50 0 DIAARN Cc1nnc([C@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 ZINC000071902548 563331098 /nfs/dbraw/zinc/33/10/98/563331098.db2.gz CLCZNRREPYESQN-NSHDSACASA-N 0 0 313.332 4.483 50 0 DIAARN Cc1ccccc1NC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000071904963 563331760 /nfs/dbraw/zinc/33/17/60/563331760.db2.gz HXEVZRTXHFYQFP-UHFFFAOYSA-N 0 0 310.382 4.158 50 0 DIAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000006741992 563333831 /nfs/dbraw/zinc/33/38/31/563333831.db2.gz JBDRQJWFBNKRPY-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN O=C(Nc1nccs1)c1cc(-c2ccco2)nc2ccccc21 ZINC000002620905 563336479 /nfs/dbraw/zinc/33/64/79/563336479.db2.gz AONFLTXJKGUEML-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 aggregator DIAARN COc1ccc(NC(=O)CCCSc2ccccc2)cc1 ZINC000002652492 563338068 /nfs/dbraw/zinc/33/80/68/563338068.db2.gz CAFIYPBACVMWQG-UHFFFAOYSA-N 0 0 301.411 4.206 50 0 DIAARN CCCCCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000007389340 563338085 /nfs/dbraw/zinc/33/80/85/563338085.db2.gz XUEQRTQWIYUYGM-UHFFFAOYSA-N 0 0 323.396 4.086 50 0 DIAARN CCCc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000007636168 563339991 /nfs/dbraw/zinc/33/99/91/563339991.db2.gz NAGKSLQHVIKDHB-UHFFFAOYSA-N 0 0 320.440 4.339 50 0 DIAARN Cc1ccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000002762997 563340549 /nfs/dbraw/zinc/34/05/49/563340549.db2.gz RTIQJCBODSTKMX-UHFFFAOYSA-N 0 0 324.359 4.023 50 0 DIAARN CCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000007660227 563340598 /nfs/dbraw/zinc/34/05/98/563340598.db2.gz LYDZUBWSIDTICY-UHFFFAOYSA-N 0 0 324.174 4.083 50 0 DIAARN COc1ccccc1NC(=S)Nc1ccccc1OC(F)F ZINC000002735335 563340839 /nfs/dbraw/zinc/34/08/39/563340839.db2.gz ODPOXUGENOHUTC-UHFFFAOYSA-N 0 0 324.352 4.106 50 0 DIAARN CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000002752407 563341193 /nfs/dbraw/zinc/34/11/93/563341193.db2.gz UUSDTUYTQCRMHS-SHQCLWGWSA-N 0 0 322.246 4.253 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)C)C[C@@H](CC)CC2 ZINC000002752616 563341218 /nfs/dbraw/zinc/34/12/18/563341218.db2.gz SEBKFTAHSBLODE-NSHDSACASA-N 0 0 323.458 4.034 50 0 DIAARN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000002764424 563341222 /nfs/dbraw/zinc/34/12/22/563341222.db2.gz KXRQDRQBAIBQMT-HNNXBMFYSA-N 0 0 323.436 4.341 50 0 DIAARN Oc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1O ZINC000254840526 563341312 /nfs/dbraw/zinc/34/13/12/563341312.db2.gz BKJICMXAEMNNPC-UHFFFAOYSA-N 0 0 304.349 4.270 50 0 DIAARN COc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2c1 ZINC000002763491 563341431 /nfs/dbraw/zinc/34/14/31/563341431.db2.gz PNGQTNOFXWGWDD-UONOGXRCSA-N 0 0 324.405 4.047 50 0 DIAARN CCC(CC)C(=O)Nc1ccccc1NC(=O)C(CC)CC ZINC000002749105 563341539 /nfs/dbraw/zinc/34/15/39/563341539.db2.gz LQVXLFJPHHPIDB-UHFFFAOYSA-N 0 0 304.434 4.436 50 0 DIAARN CCc1ccc([C@@H](C)NC(=O)CCc2ccc(OC)cc2)cc1 ZINC000002760124 563341850 /nfs/dbraw/zinc/34/18/50/563341850.db2.gz ZBVNUGGXQQLCQM-OAHLLOKOSA-N 0 0 311.425 4.068 50 0 DIAARN COc1ccccc1NC(=O)/C=C/c1c(F)cccc1Cl ZINC000002755595 563341871 /nfs/dbraw/zinc/34/18/71/563341871.db2.gz FLXQMDUSWNJQIC-MDZDMXLPSA-N 0 0 305.736 4.140 50 0 DIAARN CCCc1cc2c(s1)N[C@H](c1ccc(Cl)cc1)NC2=O ZINC000002785202 563341949 /nfs/dbraw/zinc/34/19/49/563341949.db2.gz ZUWAPRBXYAQKIL-CYBMUJFWSA-N 0 0 306.818 4.208 50 0 DIAARN CCc1ccc(C(=O)Nc2nnc(C(C)(C)CC)s2)s1 ZINC000002777210 563342679 /nfs/dbraw/zinc/34/26/79/563342679.db2.gz GJVMWRJDHDDDDG-UHFFFAOYSA-N 0 0 309.460 4.102 50 0 DIAARN CCc1cccc(NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 ZINC000071915058 563342831 /nfs/dbraw/zinc/34/28/31/563342831.db2.gz AAAIJMSFUMFKBL-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1 ZINC000002889426 563343237 /nfs/dbraw/zinc/34/32/37/563343237.db2.gz ZWTDQYDEOKABAQ-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 aggregator DIAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000008041066 563343729 /nfs/dbraw/zinc/34/37/29/563343729.db2.gz NCXVMLOFAADLGL-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN Cc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1 ZINC000225754102 563345456 /nfs/dbraw/zinc/34/54/56/563345456.db2.gz DLYQWALSIURUEW-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)oc1C ZINC000008332224 563346048 /nfs/dbraw/zinc/34/60/48/563346048.db2.gz SJLJMZUXXYTYBF-UHFFFAOYSA-N 0 0 312.394 4.175 50 0 DIAARN Cc1nc(SCC(=O)Nc2cccc3ccccc32)oc1C ZINC000008334262 563346160 /nfs/dbraw/zinc/34/61/60/563346160.db2.gz VVOSIVSLHUQAJM-UHFFFAOYSA-N 0 0 312.394 4.175 50 0 DIAARN O=C(NC(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1 ZINC000008382147 563346382 /nfs/dbraw/zinc/34/63/82/563346382.db2.gz XHCGNWOAXRTSDM-UHFFFAOYSA-N 0 0 324.767 4.455 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000003066778 563347447 /nfs/dbraw/zinc/34/74/47/563347447.db2.gz MSGJDLWPILHGPG-UHFFFAOYSA-N 0 0 312.394 4.256 50 0 DIAARN CC(C)(C)c1nnc2sc(Cc3cccc4ccccc43)nn21 ZINC000008706365 563349427 /nfs/dbraw/zinc/34/94/27/563349427.db2.gz KEUFVZALUIIOAY-UHFFFAOYSA-N 0 0 322.437 4.227 50 0 DIAARN O=C(Nc1nnc(-c2cccs2)s1)Nc1ccc(F)cc1 ZINC000008738593 563349992 /nfs/dbraw/zinc/34/99/92/563349992.db2.gz AUYZJIRHHQLYOL-UHFFFAOYSA-N 0 0 320.374 4.050 50 0 DIAARN Cc1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)[C@H](C)O2 ZINC000009189619 563352332 /nfs/dbraw/zinc/35/23/32/563352332.db2.gz UINLGLZQNPOHPL-NSHDSACASA-N 0 0 319.763 4.102 50 0 DIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2Nc2ccc(F)cc2C)cc1C ZINC000009224764 563352926 /nfs/dbraw/zinc/35/29/26/563352926.db2.gz PGHBIMXRPBXWCZ-UHFFFAOYSA-N 0 0 323.367 4.066 50 0 DIAARN CC(C)CC[C@@](C)(O)CNc1nc(C(F)F)nc2ccccc21 ZINC000097596968 563352961 /nfs/dbraw/zinc/35/29/61/563352961.db2.gz HVZVQKSGCPJXGU-QGZVFWFLSA-N 0 0 323.387 4.167 50 0 DIAARN Cc1ccc(C)c(Nc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)c1 ZINC000009224738 563352997 /nfs/dbraw/zinc/35/29/97/563352997.db2.gz NNITZRVSHQYATL-UHFFFAOYSA-N 0 0 319.404 4.235 50 0 DIAARN Cn1cc(C(=O)CSc2nc3ccccc3o2)c2ccccc21 ZINC000009422325 563353607 /nfs/dbraw/zinc/35/36/07/563353607.db2.gz BIMFCAHLWSZVEK-UHFFFAOYSA-N 0 0 322.389 4.295 50 0 DIAARN CCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000009426175 563353951 /nfs/dbraw/zinc/35/39/51/563353951.db2.gz MRQLZAIAYBDFAS-UHFFFAOYSA-N 0 0 307.353 4.142 50 0 DIAARN CCCCSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000009330950 563354025 /nfs/dbraw/zinc/35/40/25/563354025.db2.gz GLFCXOBUANBSJY-MDZDMXLPSA-N 0 0 319.455 4.082 50 0 DIAARN CC(/C=C/c1ccccc1)=NNC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000004321746 563354649 /nfs/dbraw/zinc/35/46/49/563354649.db2.gz CCYDCULYFMGQFW-UQGQKBJVSA-N 0 0 318.420 4.170 50 0 DIAARN CC(C)c1ccccc1NC(=O)c1sc2ncccc2c1N ZINC000010010100 563355506 /nfs/dbraw/zinc/35/55/06/563355506.db2.gz YZXRGPIGPBENNN-UHFFFAOYSA-N 0 0 311.410 4.254 50 0 DIAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 ZINC000010156604 563355545 /nfs/dbraw/zinc/35/55/45/563355545.db2.gz GHSVKPILAUORHO-ZDUSSCGKSA-N 0 0 319.364 4.034 50 0 DIAARN Cc1cc(Br)c(NC(=O)c2cccs2)cc1C ZINC000010824611 563358197 /nfs/dbraw/zinc/35/81/97/563358197.db2.gz KFRDGHFGFIDPAN-UHFFFAOYSA-N 0 0 310.216 4.380 50 0 DIAARN C[C@@H]1CN(Cc2ccccc2OC(F)F)Cc2ccccc2O1 ZINC000012190534 563363867 /nfs/dbraw/zinc/36/38/67/563363867.db2.gz WLQBDJDZIBOJDF-CYBMUJFWSA-N 0 0 319.351 4.071 50 0 DIAARN CC(=O)Nc1ccc(Oc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000012410035 563368975 /nfs/dbraw/zinc/36/89/75/563368975.db2.gz JEQDANATASYJDT-UHFFFAOYSA-N 0 0 319.364 4.203 50 0 DIAARN Clc1ccc(-c2nnc3sc(-c4ccsc4)nn32)cc1 ZINC000012409553 563369119 /nfs/dbraw/zinc/36/91/19/563369119.db2.gz BEAJRWZMEALGHB-UHFFFAOYSA-N 0 0 318.814 4.235 50 0 DIAARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)C(C)(C)C ZINC000004347016 563370627 /nfs/dbraw/zinc/37/06/27/563370627.db2.gz GGABSLPYNKMCBB-UHFFFAOYSA-N 0 0 316.470 4.132 50 0 DIAARN CCc1ccc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)o1 ZINC000012592707 563371567 /nfs/dbraw/zinc/37/15/67/563371567.db2.gz YWVYTEFXPUIBGI-CQSZACIVSA-N 0 0 317.454 4.307 50 0 DIAARN O=C(c1ccoc1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000012595060 563371712 /nfs/dbraw/zinc/37/17/12/563371712.db2.gz IHCUXKASWAPTMQ-ZDUSSCGKSA-N 0 0 319.351 4.043 50 0 DIAARN O=C(CC1=CCCCC1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012708906 563372374 /nfs/dbraw/zinc/37/23/74/563372374.db2.gz QZRYXUPEVJYDOP-SFHVURJKSA-N 0 0 316.420 4.119 50 0 DIAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(F)c1 ZINC000012792675 563373630 /nfs/dbraw/zinc/37/36/30/563373630.db2.gz NRFTYQMBXQWADW-UHFFFAOYSA-N 0 0 318.398 4.192 50 0 DIAARN c1csc(-c2nc(CNc3ncnc4sccc43)co2)c1 ZINC000012802045 563373912 /nfs/dbraw/zinc/37/39/12/563373912.db2.gz FXUOQOZROPDMBY-UHFFFAOYSA-N 0 0 314.395 4.020 50 0 DIAARN CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012856548 563374494 /nfs/dbraw/zinc/37/44/94/563374494.db2.gz FMTYCNZXABCLDP-UHFFFAOYSA-N 0 0 310.353 4.084 50 0 DIAARN Cc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 ZINC000032644271 563374603 /nfs/dbraw/zinc/37/46/03/563374603.db2.gz KSZZEBRTDYVTPR-UHFFFAOYSA-N 0 0 322.433 4.224 50 0 DIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCCC2)c1 ZINC000012817854 563374659 /nfs/dbraw/zinc/37/46/59/563374659.db2.gz KTMQZEONADADBE-UHFFFAOYSA-N 0 0 323.396 4.459 50 0 DIAARN COc1ccccc1NC(=O)N[C@H]1CCSc2ccccc21 ZINC000012980624 563376187 /nfs/dbraw/zinc/37/61/87/563376187.db2.gz IBCNMKQCWPQISV-ZDUSSCGKSA-N 0 0 314.410 4.054 50 0 DIAARN CCCC(=O)Nc1ccc(-c2csc(NC3CC3)n2)cc1 ZINC000012996893 563376477 /nfs/dbraw/zinc/37/64/77/563376477.db2.gz XOONXHJWYPPHSM-UHFFFAOYSA-N 0 0 301.415 4.123 50 0 DIAARN C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 ZINC000013001193 563377628 /nfs/dbraw/zinc/37/76/28/563377628.db2.gz YZRJKCGZTODABE-LBPRGKRZSA-N 0 0 315.363 4.335 50 0 DIAARN Cc1nc(=NN2CCCCC2)c2c(-c3ccccc3)csc2[nH]1 ZINC000013096536 563378163 /nfs/dbraw/zinc/37/81/63/563378163.db2.gz YXMLJAPUMBBCNN-UHFFFAOYSA-N 0 0 324.453 4.480 50 0 DIAARN COc1ccc(NC(=O)c2cccc(Br)c2)c(C)c1 ZINC000013326914 563380512 /nfs/dbraw/zinc/38/05/12/563380512.db2.gz ZHOYIDMYWIWVKZ-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)c(C)c1 ZINC000013326289 563380599 /nfs/dbraw/zinc/38/05/99/563380599.db2.gz GBVDJVRFAZIWRQ-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CCCCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000013327548 563380634 /nfs/dbraw/zinc/38/06/34/563380634.db2.gz IGBXWXOGPNFRRT-UHFFFAOYSA-N 0 0 311.381 4.053 50 0 DIAARN CC[C@H](Oc1cc(C)ccc1Cl)C(=O)Nc1cccc(C)n1 ZINC000013326601 563380755 /nfs/dbraw/zinc/38/07/55/563380755.db2.gz PTIVZDZCSYUPGR-AWEZNQCLSA-N 0 0 318.804 4.148 50 0 DIAARN CC[C@H](C)c1ccc(NC(=S)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000013497543 563382589 /nfs/dbraw/zinc/38/25/89/563382589.db2.gz VZNJKBBAYIQBMP-ZENOOKHLSA-N 0 0 306.475 4.054 50 0 DIAARN CC(=O)c1cccc(NC(=S)N2c3ccccc3C[C@H]2C)c1 ZINC000013519537 563382604 /nfs/dbraw/zinc/38/26/04/563382604.db2.gz QTSRZGPCSXQDEZ-GFCCVEGCSA-N 0 0 310.422 4.037 50 0 DIAARN COc1ccc(Cl)cc1NC(=S)Nc1cccc(C)c1 ZINC000013496967 563382768 /nfs/dbraw/zinc/38/27/68/563382768.db2.gz XTRDVKSAUICOPS-UHFFFAOYSA-N 0 0 306.818 4.466 50 0 DIAARN CC(C)c1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn21 ZINC000013494611 563382872 /nfs/dbraw/zinc/38/28/72/563382872.db2.gz GMDQTXAZWSOQKQ-UHFFFAOYSA-N 0 0 300.431 4.274 50 0 DIAARN CC(=O)c1ccc(NC(=S)N2c3ccccc3C[C@H]2C)cc1 ZINC000013683957 563385347 /nfs/dbraw/zinc/38/53/47/563385347.db2.gz LJJXQLJOIQPZDX-GFCCVEGCSA-N 0 0 310.422 4.037 50 0 DIAARN Cc1ccc(/C=C/c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000013691578 563386165 /nfs/dbraw/zinc/38/61/65/563386165.db2.gz YPQVSLBGQPMGFN-VAWYXSNFSA-N 0 0 318.405 4.332 50 0 DIAARN Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCC[C@@H](C)C2)c1 ZINC000013745507 563388268 /nfs/dbraw/zinc/38/82/68/563388268.db2.gz NQWFNPRDAFJBHA-CYBMUJFWSA-N 0 0 309.837 4.064 50 0 DIAARN Cc1cnc(NC(=O)C(C)(C)Oc2cc(C)ccc2Cl)s1 ZINC000013744728 563388332 /nfs/dbraw/zinc/38/83/32/563388332.db2.gz ZDUYJBBDNLVTFN-UHFFFAOYSA-N 0 0 324.833 4.209 50 0 DIAARN O[C@H]1CCCc2c(OCCCOc3ccc(F)cc3)cccc21 ZINC000032741503 563388592 /nfs/dbraw/zinc/38/85/92/563388592.db2.gz SRSLXSCMQMGJOG-SFHVURJKSA-N 0 0 316.372 4.043 50 0 DIAARN Cc1nc2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2nc1C ZINC000032740607 563388825 /nfs/dbraw/zinc/38/88/25/563388825.db2.gz IFWMUDRDZKMCOL-ZDUSSCGKSA-N 0 0 313.445 4.191 50 0 DIAARN CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000013811531 563389383 /nfs/dbraw/zinc/38/93/83/563389383.db2.gz ITDQTULRCVVUHP-CZUORRHYSA-N 0 0 302.761 4.213 50 0 DIAARN Cc1nc(-c2ccc(Oc3nc4ccccc4nc3C)cc2)no1 ZINC000032753061 563390044 /nfs/dbraw/zinc/39/00/44/563390044.db2.gz GSEVMHWNSYDJON-UHFFFAOYSA-N 0 0 318.336 4.089 50 0 DIAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000032754740 563390576 /nfs/dbraw/zinc/39/05/76/563390576.db2.gz GPDLSGWBYNRSJX-BDAKNGLRSA-N 0 0 323.717 4.330 50 0 DIAARN CSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000013856387 563391005 /nfs/dbraw/zinc/39/10/05/563391005.db2.gz RPWMZIXVNIVNQK-AWEZNQCLSA-N 0 0 315.438 4.431 50 0 DIAARN CCN(C(=S)Nc1cccnc1)c1cccc2ccccc21 ZINC000013879032 563391631 /nfs/dbraw/zinc/39/16/31/563391631.db2.gz LHMWZUFAGBMTCH-UHFFFAOYSA-N 0 0 307.422 4.458 50 0 DIAARN CCCc1cc(C(=O)Nc2ccc(C(=O)OC)s2)sc1C ZINC000032808689 563395229 /nfs/dbraw/zinc/39/52/29/563395229.db2.gz PSUNOJYVPWUMAH-UHFFFAOYSA-N 0 0 323.439 4.109 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DIAARN C[C@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478827 563484273 /nfs/dbraw/zinc/48/42/73/563484273.db2.gz RAEJFVAKNNPRJS-DYZYQPBXSA-N 0 0 306.331 4.301 50 0 DIAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2C)no1 ZINC000064984698 563486704 /nfs/dbraw/zinc/48/67/04/563486704.db2.gz JNOVSPMXTVNLAU-KRWDZBQOSA-N 0 0 313.401 4.305 50 0 DIAARN CCc1cc([C@H]2CCCN2Cc2ccc(SC)cc2)on1 ZINC000064984387 563486798 /nfs/dbraw/zinc/48/67/98/563486798.db2.gz MZXYKJZGOCUIFW-MRXNPFEDSA-N 0 0 302.443 4.296 50 0 DIAARN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)c2ccccc12 ZINC000067641264 563487738 /nfs/dbraw/zinc/48/77/38/563487738.db2.gz SGQAMVXGBVIIPQ-HNNXBMFYSA-N 0 0 304.393 4.376 50 0 DIAARN CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc(Cl)nc1 ZINC000067739974 563489474 /nfs/dbraw/zinc/48/94/74/563489474.db2.gz ZOBQSRKZFKMHHJ-HNNXBMFYSA-N 0 0 320.820 4.202 50 0 DIAARN Cc1ccsc1CN(C(=O)c1onc2ccccc21)C1CC1 ZINC000067713282 563489579 /nfs/dbraw/zinc/48/95/79/563489579.db2.gz AHMIBCNSOSKADW-UHFFFAOYSA-N 0 0 312.394 4.003 50 0 DIAARN COc1ccc(-c2cccc(-c3nnc(C)o3)c2)c2cccnc12 ZINC000067851868 563492056 /nfs/dbraw/zinc/49/20/56/563492056.db2.gz CPBXVADHSOTQAH-UHFFFAOYSA-N 0 0 317.348 4.269 50 0 DIAARN c1cn(CCn2ccnc2-c2ccc(-c3ccccc3)s2)cn1 ZINC000067981754 563494193 /nfs/dbraw/zinc/49/41/93/563494193.db2.gz QQVMOMGAVSDSCE-UHFFFAOYSA-N 0 0 320.421 4.175 50 0 DIAARN CCN(CC)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000000027606 563495041 /nfs/dbraw/zinc/49/50/41/563495041.db2.gz XCTKVHNXJIFHEP-MOPGFXCFSA-N 0 0 308.425 4.275 50 0 DIAARN COc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccc(O)c1)N2 ZINC000033087904 563496174 /nfs/dbraw/zinc/49/61/74/563496174.db2.gz WPRCAOAGELJQNA-SNRMKQJTSA-N 0 0 311.381 4.035 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1cccnc1-c1cccs1 ZINC000033139020 563497096 /nfs/dbraw/zinc/49/70/96/563497096.db2.gz VMYHAHBFWOFWLC-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN Cc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)sc1C ZINC000033125921 563497303 /nfs/dbraw/zinc/49/73/03/563497303.db2.gz DHPPQFKTRNNLNH-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN COc1cccc(NC(=O)c2cccnc2-c2cccs2)c1 ZINC000033139013 563497335 /nfs/dbraw/zinc/49/73/35/563497335.db2.gz DRAHRDKSXKRJAJ-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN Clc1ncnc(Cl)c1-c1ccc(Br)cc1 ZINC000071257411 563498510 /nfs/dbraw/zinc/49/85/10/563498510.db2.gz WEEFLZORZXLIJE-UHFFFAOYSA-N 0 0 303.974 4.213 50 0 DIAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2C1CCCC1 ZINC000071280343 563498606 /nfs/dbraw/zinc/49/86/06/563498606.db2.gz WNQRRBLCYWZGQI-AWEZNQCLSA-N 0 0 311.385 4.130 50 0 DIAARN CCc1oc2ccccc2c1-c1nccn1Cc1cc(C)no1 ZINC000071388701 563499012 /nfs/dbraw/zinc/49/90/12/563499012.db2.gz DJMGBXNXCHQRNK-UHFFFAOYSA-N 0 0 307.353 4.203 50 0 DIAARN Clc1cccc(-c2cnn3c2nccc3-c2cccnc2)c1 ZINC000071385488 563499092 /nfs/dbraw/zinc/49/90/92/563499092.db2.gz QIDVERRFRINLOT-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN Cc1[nH]cnc1-c1nccn1C1c2ccccc2-c2ccccc21 ZINC000071551916 563499757 /nfs/dbraw/zinc/49/97/57/563499757.db2.gz JKWPKNCSDULSTI-UHFFFAOYSA-N 0 0 312.376 4.200 50 0 DIAARN O=C(CCc1ccc2c(c1)CCO2)Nc1cccc2ccccc21 ZINC000071415914 563499809 /nfs/dbraw/zinc/49/98/09/563499809.db2.gz NNPYFQLYLAMSDX-UHFFFAOYSA-N 0 0 317.388 4.346 50 0 DIAARN F/C(=C(\F)C(F)(F)Br)C(F)(F)Br ZINC000071614846 563500375 /nfs/dbraw/zinc/50/03/75/563500375.db2.gz BDJHSJLEJXRSSG-UPHRSURJSA-N 0 0 321.840 4.112 50 0 DIAARN Cc1ccc([C@H](c2ccncc2)n2ccnc2-c2ccco2)cc1 ZINC000071776616 563500783 /nfs/dbraw/zinc/50/07/83/563500783.db2.gz YUCOCTMVAPXUDM-LJQANCHMSA-N 0 0 315.376 4.484 50 0 DIAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(C)cc3)s2)cc1 ZINC000033251633 563501973 /nfs/dbraw/zinc/50/19/73/563501973.db2.gz JTJWDNBTEHFLFG-UHFFFAOYSA-N 0 0 323.421 4.317 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2nc(-c3ccccc3)oc2C)cc1 ZINC000007984839 563501995 /nfs/dbraw/zinc/50/19/95/563501995.db2.gz XBKYUPANAPCUQH-UHFFFAOYSA-N 0 0 321.332 4.072 50 0 DIAARN CCC(=O)Nc1ccc(CCc2nc3ccccc3n2CC)cc1 ZINC000033252624 563502060 /nfs/dbraw/zinc/50/20/60/563502060.db2.gz QODNBCXORKPZCW-UHFFFAOYSA-N 0 0 321.424 4.190 50 0 DIAARN CCc1nc(-c2ccc(NC(=O)Nc3ccccc3C)cc2)no1 ZINC000033257277 563502531 /nfs/dbraw/zinc/50/25/31/563502531.db2.gz ATRKQINPQACZEW-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN CC1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2)CC1 ZINC000033255415 563502873 /nfs/dbraw/zinc/50/28/73/563502873.db2.gz IEIMAGSSSLNXOX-UHFFFAOYSA-N 0 0 320.396 4.035 50 0 DIAARN CCc1nc([C@@H](C)NCc2ncc(-c3ccccc3)o2)cs1 ZINC000097112250 563505853 /nfs/dbraw/zinc/50/58/53/563505853.db2.gz UVMBSCLTCSWASK-GFCCVEGCSA-N 0 0 313.426 4.211 50 0 DIAARN CCCCCOC(=O)c1ccccc1C(=O)OCCC(C)C ZINC000077301400 563508412 /nfs/dbraw/zinc/50/84/12/563508412.db2.gz MCXWUHMDAJQKBI-UHFFFAOYSA-N 0 0 306.402 4.237 50 0 in-vitro DIAARN CCc1cccc(NC(=O)N2CCCC[C@H]2CCCOC)c1 ZINC000077454945 563511000 /nfs/dbraw/zinc/51/10/00/563511000.db2.gz VJNFHDNEDDZKDO-KRWDZBQOSA-N 0 0 304.434 4.062 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3ccccc3)c2c1 ZINC000077564037 563511994 /nfs/dbraw/zinc/51/19/94/563511994.db2.gz XVABLTQEVIYMSX-HXUWFJFHSA-N 0 0 316.404 4.439 50 0 DIAARN Cc1c(C)c(NC(=O)c2ccc(Br)cc2)ccc1O ZINC000000052758 563513747 /nfs/dbraw/zinc/51/37/47/563513747.db2.gz YVYFDNSFPNXPBH-UHFFFAOYSA-N 0 0 320.186 4.024 50 0 DIAARN CC(C)[C@H](C)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000078909034 563514463 /nfs/dbraw/zinc/51/44/63/563514463.db2.gz GHHCFQOMVAIPOD-QWRGUYRKSA-N 0 0 308.365 4.226 50 0 DIAARN C[C@H](Nc1cccc(OCc2cscn2)c1)c1ccco1 ZINC000097232231 563514482 /nfs/dbraw/zinc/51/44/82/563514482.db2.gz BDSKOPPRTWYZLV-LBPRGKRZSA-N 0 0 300.383 4.488 50 0 DIAARN Cc1cc2cccnc2c(N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000097038502 563516892 /nfs/dbraw/zinc/51/68/92/563516892.db2.gz DAYKRWNQNOTUMP-QKFKETGDSA-N 0 0 324.449 4.454 50 0 DIAARN C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000004731273 563517691 /nfs/dbraw/zinc/51/76/91/563517691.db2.gz WRWBCPJQPDHXTJ-SLOHPKBISA-N 0 0 304.474 4.061 50 0 biogenic DIAARN O=C1O/C(=C\c2ccc(F)c(Br)c2)c2ccccc21 ZINC000144199379 563517945 /nfs/dbraw/zinc/51/79/45/563517945.db2.gz CPTICOLUIJZBHY-ZSOIEALJSA-N 0 0 319.129 4.257 50 0 DIAARN Fc1cccc(C[C@@H](NCc2ccon2)c2cccc(F)c2)c1 ZINC000178261992 563519578 /nfs/dbraw/zinc/51/95/78/563519578.db2.gz OSAJUUSPRSXBNS-GOSISDBHSA-N 0 0 314.335 4.026 50 0 DIAARN Fc1cccc(C[C@H](NCc2ccon2)c2cccc(F)c2)c1 ZINC000178261979 563520036 /nfs/dbraw/zinc/52/00/36/563520036.db2.gz OSAJUUSPRSXBNS-SFHVURJKSA-N 0 0 314.335 4.026 50 0 DIAARN CCN(c1ccc(NC(=O)OCC(F)(F)F)cc1)C(C)C ZINC000087304840 563522786 /nfs/dbraw/zinc/52/27/86/563522786.db2.gz SOBWSIWTRMLFCE-UHFFFAOYSA-N 0 0 304.312 4.032 50 0 DIAARN Cc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1C ZINC000000079466 563523370 /nfs/dbraw/zinc/52/33/70/563523370.db2.gz ZSBMMNHQCUJYEZ-UHFFFAOYSA-N 0 0 304.397 4.449 50 0 DIAARN O=C(Nc1ccccc1O)c1c2ccccc2nc2c1CCCC2 ZINC000000077796 563523465 /nfs/dbraw/zinc/52/34/65/563523465.db2.gz MKYSNFSRXRCXFW-UHFFFAOYSA-N 0 0 318.376 4.072 50 0 DIAARN CCOc1ccccc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC000011467622 563526964 /nfs/dbraw/zinc/52/69/64/563526964.db2.gz AJIRTZBIWDRJLY-KRWDZBQOSA-N 0 0 313.422 4.049 50 0 DIAARN Cc1nc2sc3c(c2c(NCCc2ccccc2)n1)CCC3 ZINC000000087746 563527105 /nfs/dbraw/zinc/52/71/05/563527105.db2.gz GMLYGSKBUANJMN-UHFFFAOYSA-N 0 0 309.438 4.143 50 0 DIAARN Cc1cc(NC(=O)c2scc3c2CCCC3)cc(C)c1O ZINC000000092882 563528337 /nfs/dbraw/zinc/52/83/37/563528337.db2.gz FRIRDWNSCXZXHT-UHFFFAOYSA-N 0 0 301.411 4.202 50 0 DIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1 ZINC000095353686 563529078 /nfs/dbraw/zinc/52/90/78/563529078.db2.gz CBVXOHOMFJNLBE-IBGZPJMESA-N 0 0 318.420 4.464 50 0 DIAARN COc1ccccc1-c1c[nH]c2ncc(Br)cc12 ZINC000095836499 563530528 /nfs/dbraw/zinc/53/05/28/563530528.db2.gz UWBXQMQUOGPEKU-UHFFFAOYSA-N 0 0 303.159 4.001 50 0 DIAARN CCOC(=O)c1csc(Nc2ccc(Cl)cc2Cl)n1 ZINC000095929471 563531286 /nfs/dbraw/zinc/53/12/86/563531286.db2.gz GCECPIHOBALRRD-UHFFFAOYSA-N 0 0 317.197 4.370 50 0 DIAARN CC(C)c1ccccc1NC(=O)N(C)Cc1cc(C2CC2)on1 ZINC000096140012 563533982 /nfs/dbraw/zinc/53/39/82/563533982.db2.gz VBMVSJNBUXJOQN-UHFFFAOYSA-N 0 0 313.401 4.339 50 0 DIAARN Cc1cccc([C@@H](NC(=O)Nc2cccc(C)c2C)C2CC2)n1 ZINC000096165235 563534928 /nfs/dbraw/zinc/53/49/28/563534928.db2.gz JPEWRCGJONQRBW-SFHVURJKSA-N 0 0 309.413 4.280 50 0 DIAARN c1c2ccccc2oc1-c1nnc2sc(-c3ccccc3)nn21 ZINC000096193775 563535660 /nfs/dbraw/zinc/53/56/60/563535660.db2.gz YZXFQPMZGIWXHD-UHFFFAOYSA-N 0 0 318.361 4.266 50 0 DIAARN CC/C(=C/C(=O)N1CCn2cccc2[C@H]1C)c1ccc(C)cc1 ZINC000072295601 563535664 /nfs/dbraw/zinc/53/56/64/563535664.db2.gz YOMJIHCEOKMORL-DXFLKOCDSA-N 0 0 308.425 4.193 50 0 DIAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1OC ZINC000000098379 563538854 /nfs/dbraw/zinc/53/88/54/563538854.db2.gz KVBGPZBNEPIPAX-UHFFFAOYSA-N 0 0 322.364 4.164 50 0 DIAARN Cc1cc(C(=O)N2CCC(F)(F)CC2)c2cc(Cl)ccc2n1 ZINC000097402330 563539224 /nfs/dbraw/zinc/53/92/24/563539224.db2.gz ZPCACAOKJIXRFU-UHFFFAOYSA-N 0 0 324.758 4.068 50 0 DIAARN CC(C)c1cc(CN(C)Cc2ccc([C@@H]3CCCCO3)o2)no1 ZINC000097425488 563539485 /nfs/dbraw/zinc/53/94/85/563539485.db2.gz MYFSHZDGFGIHMI-INIZCTEOSA-N 0 0 318.417 4.265 50 0 DIAARN Cc1noc(C)c1[C@@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000097546616 563540318 /nfs/dbraw/zinc/54/03/18/563540318.db2.gz SHQCSDUVEGKARZ-KRWDZBQOSA-N 0 0 323.396 4.284 50 0 DIAARN COC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000097757330 563542429 /nfs/dbraw/zinc/54/24/29/563542429.db2.gz JYKGDLLYLRXFCJ-UHFFFAOYSA-N 0 0 314.234 4.178 50 0 DIAARN Cc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000098072757 563543899 /nfs/dbraw/zinc/54/38/99/563543899.db2.gz TYXCTRHZBUPEHB-UHFFFAOYSA-N 0 0 314.186 4.005 50 0 DIAARN CCCCn1c2ccccc2c(O)c(Cc2ccccc2)c1=O ZINC000100294441 563549127 /nfs/dbraw/zinc/54/91/27/563549127.db2.gz VIUNESMLZNZSGV-UHFFFAOYSA-N 0 0 307.393 4.098 50 0 aggregator DIAARN Cc1csc2sc(C(=O)CC(=O)C(F)(F)F)c(C)c12 ZINC000100378246 563550209 /nfs/dbraw/zinc/55/02/09/563550209.db2.gz PSBOUGLMMMITRO-UHFFFAOYSA-N 0 0 306.330 4.284 50 0 DIAARN O=C1CCCC(=O)C1[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671670 563552833 /nfs/dbraw/zinc/55/28/33/563552833.db2.gz HYRDQLSRNDNBML-RTBURBONSA-N 0 0 310.324 4.484 50 0 DIAARN Cc1ccsc1C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000101014641 563555563 /nfs/dbraw/zinc/55/55/63/563555563.db2.gz VHNUOMMKZJHRGA-LLVKDONJSA-N 0 0 322.227 4.097 50 0 DIAARN CCN(CC)c1ccc(C[C@H]2c3cc(C)ccc3NC2=O)cc1 ZINC000101016512 563555689 /nfs/dbraw/zinc/55/56/89/563555689.db2.gz MWQVBSNOQMMUPV-SFHVURJKSA-N 0 0 308.425 4.120 50 0 DIAARN Cc1cccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c1 ZINC000101014632 563555702 /nfs/dbraw/zinc/55/57/02/563555702.db2.gz MMFWOLPUDRGLNS-CQSZACIVSA-N 0 0 316.198 4.036 50 0 DIAARN Cc1ccc(C)c(OCCSc2nc3ccccc3n2C)c1 ZINC000011667104 563559318 /nfs/dbraw/zinc/55/93/18/563559318.db2.gz MRZKOQZSXJJOOF-UHFFFAOYSA-N 0 0 312.438 4.361 50 0 DIAARN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCCCCC1 ZINC000257173581 563567920 /nfs/dbraw/zinc/56/79/20/563567920.db2.gz RFSRZSOGALZSQP-UHFFFAOYSA-N 0 0 312.388 4.212 50 0 DIAARN Cc1nc(Cl)c(C(=O)N(C)c2ccccc2)c(C)c1Cl ZINC000000111549 563570384 /nfs/dbraw/zinc/57/03/84/563570384.db2.gz OQRRVCIEFJOKCK-UHFFFAOYSA-N 0 0 309.196 4.282 50 0 DIAARN Cc1cc2c(c(SCc3ccc(Cl)cc3)n1)C(=O)OC2 ZINC000000111521 563571030 /nfs/dbraw/zinc/57/10/30/563571030.db2.gz BYLVBURPTMOZER-UHFFFAOYSA-N 0 0 305.786 4.006 50 0 DIAARN CCCSc1nnc(C)c(C=CNc2ccc(Cl)cc2)n1 ZINC000100185992 563571898 /nfs/dbraw/zinc/57/18/98/563571898.db2.gz BUZOJPYSFJFREV-CMDGGOBGSA-N 0 0 320.849 4.418 50 0 DIAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(C)=O ZINC000000132106 563572014 /nfs/dbraw/zinc/57/20/14/563572014.db2.gz PMMHSRRACZUPFU-UHFFFAOYSA-N 0 0 323.801 4.204 50 0 DIAARN CCOC(=O)c1nc2ccccc2c(Nc2cccc(C)c2C)n1 ZINC000000145898 563573208 /nfs/dbraw/zinc/57/32/08/563573208.db2.gz PTGGTYQAZCZYRO-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN CCOc1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1 ZINC000000144554 563573304 /nfs/dbraw/zinc/57/33/04/563573304.db2.gz FBIIVRLLNKYTDS-UHFFFAOYSA-N 0 0 313.397 4.028 50 0 DIAARN CCCc1cc(=O)[nH]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000000150682 563573343 /nfs/dbraw/zinc/57/33/43/563573343.db2.gz AWHMJSOKJAQCKN-UHFFFAOYSA-N 0 0 321.380 4.258 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(OC(C)C)cc1 ZINC000000149633 563573477 /nfs/dbraw/zinc/57/34/77/563573477.db2.gz UUNBLJPPILLTQZ-MDWZMJQESA-N 0 0 311.381 4.134 50 0 DIAARN Cn1ncc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1Cl ZINC000000160116 563573871 /nfs/dbraw/zinc/57/38/71/563573871.db2.gz LZDIOCALCNGMMR-UHFFFAOYSA-N 0 0 316.792 4.088 50 0 DIAARN Cc1ccc2sc(NC(=O)c3ccccc3F)nc2c1C ZINC000000151523 563573909 /nfs/dbraw/zinc/57/39/09/563573909.db2.gz XRDCYNPSOPZPNM-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN Cc1ccccc1C1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)O1 ZINC000000178043 563575156 /nfs/dbraw/zinc/57/51/56/563575156.db2.gz MKUYSVGOTBOHLH-LDADJPATSA-N 0 0 305.377 4.463 50 0 DIAARN CC(C)(C)c1csc(NC(=O)COc2ccc(Cl)cc2)n1 ZINC000000180514 563575640 /nfs/dbraw/zinc/57/56/40/563575640.db2.gz PAECBPWRSJGCPS-UHFFFAOYSA-N 0 0 324.833 4.112 50 0 DIAARN C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000184891 563576027 /nfs/dbraw/zinc/57/60/27/563576027.db2.gz ORRNZIMGAGYDTA-LLVKDONJSA-N 0 0 324.207 4.250 50 0 DIAARN CCN(C(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000111866427 563576273 /nfs/dbraw/zinc/57/62/73/563576273.db2.gz PABDWOABVZJYIG-UHFFFAOYSA-N 0 0 305.377 4.272 50 0 DIAARN CCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000000187517 563576302 /nfs/dbraw/zinc/57/63/02/563576302.db2.gz LAXIADWQKSWBFE-UHFFFAOYSA-N 0 0 309.394 4.020 50 0 DIAARN COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000196363 563577301 /nfs/dbraw/zinc/57/73/01/563577301.db2.gz NVXZIKKGGPKDLD-MRXNPFEDSA-N 0 0 319.813 4.127 50 0 DIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1cnc2ccccc21 ZINC000000204743 563578116 /nfs/dbraw/zinc/57/81/16/563578116.db2.gz JHAMRUNAIBVEDT-LBPRGKRZSA-N 0 0 314.772 4.106 50 0 DIAARN CC(=O)Oc1c(Sc2ccccc2)c(C)nn1-c1ccccc1 ZINC000000212748 563578392 /nfs/dbraw/zinc/57/83/92/563578392.db2.gz ZFXBAFBIFTYAMP-UHFFFAOYSA-N 0 0 324.405 4.257 50 0 DIAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1N[C@H](C)CC ZINC000000211198 563578815 /nfs/dbraw/zinc/57/88/15/563578815.db2.gz FKMQQJYJQXKPAE-GFCCVEGCSA-N 0 0 316.401 4.021 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)CCCc1cn(C)c2ccccc12 ZINC000000218746 563579011 /nfs/dbraw/zinc/57/90/11/563579011.db2.gz ZEKGWYFRHMIHEC-MAUKXSAKSA-N 0 0 312.457 4.196 50 0 DIAARN CC(C)CCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000000217816 563579333 /nfs/dbraw/zinc/57/93/33/563579333.db2.gz FRQJHUCZVUBWMD-UHFFFAOYSA-N 0 0 319.408 4.073 50 0 biogenic DIAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccco1 ZINC000000237488 563580684 /nfs/dbraw/zinc/58/06/84/563580684.db2.gz KIQKNOSKYQWLAW-UHFFFAOYSA-N 0 0 303.321 4.075 50 0 DIAARN Cc1c2ccc(OC(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000000247542 563581522 /nfs/dbraw/zinc/58/15/22/563581522.db2.gz LTQARGCBZHMPLI-UHFFFAOYSA-N 0 0 308.377 4.479 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)C1(C)C ZINC000247876420 563581841 /nfs/dbraw/zinc/58/18/41/563581841.db2.gz OVIPLKUVHGORGE-YIYPIFLZSA-N 0 0 317.395 4.462 50 0 DIAARN CC(C)N(C(=S)Nc1ccccc1F)[C@@H](C)c1ccccn1 ZINC000000261988 563583035 /nfs/dbraw/zinc/58/30/35/563583035.db2.gz BIVGNPSDBQKFDC-ZDUSSCGKSA-N 0 0 317.433 4.389 50 0 DIAARN CCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000000267388 563584093 /nfs/dbraw/zinc/58/40/93/563584093.db2.gz NHHMFXVKQNSUFY-UHFFFAOYSA-N 0 0 322.364 4.342 50 0 DIAARN CCC(CC)C(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000028230534 563585476 /nfs/dbraw/zinc/58/54/76/563585476.db2.gz HAGFKMJNWHOWPV-UHFFFAOYSA-N 0 0 313.445 4.231 50 0 DIAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1 ZINC000011692484 563588054 /nfs/dbraw/zinc/58/80/54/563588054.db2.gz JRNGOWRXVZESGX-LJQANCHMSA-N 0 0 324.424 4.257 50 0 DIAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000000364863 563590772 /nfs/dbraw/zinc/59/07/72/563590772.db2.gz YTAWFBDTAWPLPI-OAHLLOKOSA-N 0 0 313.397 4.108 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2O)c(C)c1 ZINC000000365080 563590837 /nfs/dbraw/zinc/59/08/37/563590837.db2.gz HVFPGYVVLVDISC-LBPRGKRZSA-N 0 0 319.788 4.068 50 0 DIAARN O=C(OCc1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000000381339 563591264 /nfs/dbraw/zinc/59/12/64/563591264.db2.gz ACGYPAZYPLSKMH-UHFFFAOYSA-N 0 0 309.799 4.368 50 0 DIAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000000374554 563591398 /nfs/dbraw/zinc/59/13/98/563591398.db2.gz AWZQXYQFOSWMGP-JKSUJKDBSA-N 0 0 315.800 4.399 50 0 DIAARN O=c1c2c(cnn1-c1ccccc1)S[C@@H](c1ccccc1)S2 ZINC000000385729 563591589 /nfs/dbraw/zinc/59/15/89/563591589.db2.gz VRPJDGCYSJUQSL-QGZVFWFLSA-N 0 0 324.430 4.129 50 0 DIAARN O=C1OC(c2ccccc2)=NC1=CNc1cccc2ccccc21 ZINC000100486302 563593974 /nfs/dbraw/zinc/59/39/74/563593974.db2.gz VTMAZQFYLSPDJK-AQTBWJFISA-N 0 0 314.344 4.097 50 0 DIAARN Cc1c(C(=O)N2CCCCCCC2)oc2c1C(=O)CC(C)(C)C2 ZINC000044279788 563599599 /nfs/dbraw/zinc/59/95/99/563599599.db2.gz WVBUWLULRBBFPL-UHFFFAOYSA-N 0 0 317.429 4.149 50 0 DIAARN CSc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 ZINC000011836560 563599998 /nfs/dbraw/zinc/59/99/98/563599998.db2.gz VOJWLNVLPFWWHS-MRXNPFEDSA-N 0 0 315.463 4.372 50 0 DIAARN CC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1 ZINC000011865299 563600718 /nfs/dbraw/zinc/60/07/18/563600718.db2.gz FIQMROUYSDSLFA-UHFFFAOYSA-N 0 0 307.349 4.239 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000011899236 563601306 /nfs/dbraw/zinc/60/13/06/563601306.db2.gz ODCLLFUJIYGMMC-UHFFFAOYSA-N 0 0 320.219 4.455 50 0 DIAARN CCCCC1CCC(C(=O)Nc2onc3c2CCCC3)CC1 ZINC000011914331 563601777 /nfs/dbraw/zinc/60/17/77/563601777.db2.gz APQPNPVCGLZCBV-UHFFFAOYSA-N 0 0 304.434 4.489 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1onc2c1CCCC2 ZINC000011915677 563602226 /nfs/dbraw/zinc/60/22/26/563602226.db2.gz NUZVAEJKIMAUSX-UHFFFAOYSA-N 0 0 310.353 4.169 50 0 DIAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 ZINC000011915858 563602235 /nfs/dbraw/zinc/60/22/35/563602235.db2.gz RYTMDBQLKPOMCW-UHFFFAOYSA-N 0 0 302.377 4.237 50 0 DIAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccsc1 ZINC000011918009 563602331 /nfs/dbraw/zinc/60/23/31/563602331.db2.gz COVJNLHKOOMXPJ-UHFFFAOYSA-N 0 0 301.367 4.042 50 0 DIAARN Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(=O)[nH]2)cc1 ZINC000012016164 563603471 /nfs/dbraw/zinc/60/34/71/563603471.db2.gz OITBDGWYZYXDKJ-UHFFFAOYSA-N 0 0 322.433 4.346 50 0 DIAARN Cc1ccc(-c2ncc(CN3CCC[C@H]3c3ccc[nH]3)s2)o1 ZINC000127413594 563604400 /nfs/dbraw/zinc/60/44/00/563604400.db2.gz QAGJYUYHWALPKD-HNNXBMFYSA-N 0 0 313.426 4.377 50 0 DIAARN c1csc(C2=N[C@H]3SC(c4cccs4)=N[C@H]3S2)c1 ZINC000226757352 563605466 /nfs/dbraw/zinc/60/54/66/563605466.db2.gz OWGONMGDVRAGSN-RYUDHWBXSA-N 0 0 308.478 4.149 50 0 DIAARN CC(=O)c1c(C)n(-c2ccc(C(C)=O)cc2)c2ccc(O)cc21 ZINC000000205314 563610519 /nfs/dbraw/zinc/61/05/19/563610519.db2.gz LNLYLQCNEVJCPJ-UHFFFAOYSA-N 0 0 307.349 4.050 50 0 DIAARN Oc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000000411435 563611433 /nfs/dbraw/zinc/61/14/33/563611433.db2.gz PGNGYNHYVBXHNG-UHFFFAOYSA-N 0 0 318.785 4.388 50 0 DIAARN Cc1ccc(-n2c(-c3cccs3)nnc2-c2ccncc2)cc1 ZINC000000411336 563611484 /nfs/dbraw/zinc/61/14/84/563611484.db2.gz ORZBMWATKXOTRM-UHFFFAOYSA-N 0 0 318.405 4.366 50 0 DIAARN CSc1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000000423946 563611958 /nfs/dbraw/zinc/61/19/58/563611958.db2.gz JMRMWJOGPJSMAU-INIZCTEOSA-N 0 0 301.436 4.187 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1C ZINC000000423786 563612229 /nfs/dbraw/zinc/61/22/29/563612229.db2.gz CWUCUIWSUNBHHX-QGZVFWFLSA-N 0 0 301.386 4.221 50 0 DIAARN Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccccc2)c1 ZINC000000429397 563613425 /nfs/dbraw/zinc/61/34/25/563613425.db2.gz LIJDYVBBNNMBEA-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN Cc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000000430485 563614034 /nfs/dbraw/zinc/61/40/34/563614034.db2.gz IJJVPMHKKLHRRK-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN O=C1CS[C@H](c2ccccn2)N1c1ccc2ccccc2c1 ZINC000000431387 563614340 /nfs/dbraw/zinc/61/43/40/563614340.db2.gz BHVLGSQNBUMUAS-GOSISDBHSA-N 0 0 306.390 4.013 50 0 DIAARN O=C(/C=C/c1cccc(F)c1)OCc1nc2ccccc2s1 ZINC000002627468 563621475 /nfs/dbraw/zinc/62/14/75/563621475.db2.gz SMNUHXURFSNHJG-CMDGGOBGSA-N 0 0 313.353 4.192 50 0 DIAARN O=C(COc1ccccc1Cl)OCc1ccc(Cl)cc1 ZINC000003261914 563622112 /nfs/dbraw/zinc/62/21/12/563622112.db2.gz AYFKFGLJEGLDFE-UHFFFAOYSA-N 0 0 311.164 4.116 50 0 DIAARN CCOc1ccccc1OCCCC(=O)Nc1cccc(C)c1 ZINC000003387704 563622847 /nfs/dbraw/zinc/62/28/47/563622847.db2.gz XWCGSSNCVXYXMJ-UHFFFAOYSA-N 0 0 313.397 4.191 50 0 DIAARN C[C@@H](Cc1ccoc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000206662665 563624366 /nfs/dbraw/zinc/62/43/66/563624366.db2.gz QNRJFEWIZMVRCV-HNNXBMFYSA-N 0 0 305.377 4.308 50 0 DIAARN Cc1nc2cc(NC(=O)Nc3ccc(C)c(C)c3)ccc2n1C ZINC000000470476 563624985 /nfs/dbraw/zinc/62/49/85/563624985.db2.gz HSMFPBTYUNJAEY-UHFFFAOYSA-N 0 0 308.385 4.143 50 0 DIAARN CCOC(=O)c1nc(-c2ccccc2C(F)(F)F)sc1C ZINC000161550725 563626386 /nfs/dbraw/zinc/62/63/86/563626386.db2.gz BLLKUPIUGYTRFU-UHFFFAOYSA-N 0 0 315.316 4.314 50 0 DIAARN C[C@@H]1C[C@H](C)CN(c2csc3ccc(Cl)cc3c2=O)C1 ZINC000017245016 563626714 /nfs/dbraw/zinc/62/67/14/563626714.db2.gz WAGMNCXFFLMXIP-PHIMTYICSA-N 0 0 307.846 4.397 50 0 DIAARN CC(C)(C)c1ccc(O)c(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000017360843 563627261 /nfs/dbraw/zinc/62/72/61/563627261.db2.gz ZKMHLSRVRMVVEW-UHFFFAOYSA-N 0 0 305.324 4.220 50 0 DIAARN Cc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2)c1Cl ZINC000000108766 563627785 /nfs/dbraw/zinc/62/77/85/563627785.db2.gz OLXMMONMZJCVPR-UHFFFAOYSA-N 0 0 324.815 4.137 50 0 DIAARN C[C@H]1CCc2c(sc3ncnc(N(C)Cc4ccccc4)c23)C1 ZINC000000098682 563628779 /nfs/dbraw/zinc/62/87/79/563628779.db2.gz ZAEDJJMATAWRHB-ZDUSSCGKSA-N 0 0 323.465 4.453 50 0 DIAARN COC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000000434426 563630290 /nfs/dbraw/zinc/63/02/90/563630290.db2.gz MQAAZXJFUCHYRP-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN c1nn(-c2ccccc2)c2ncnc(NCCC3=CCCCC3)c12 ZINC000000426457 563630397 /nfs/dbraw/zinc/63/03/97/563630397.db2.gz JWIWASBOBFIAPX-UHFFFAOYSA-N 0 0 319.412 4.118 50 0 DIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000000471903 563630722 /nfs/dbraw/zinc/63/07/22/563630722.db2.gz MHVPETQDLKYUPM-UHFFFAOYSA-N 0 0 308.790 4.002 50 0 DIAARN Cc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)o1 ZINC000000478004 563632189 /nfs/dbraw/zinc/63/21/89/563632189.db2.gz SIQPNIHKGXOWKX-GZTJUZNOSA-N 0 0 303.317 4.086 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000000859351 563632331 /nfs/dbraw/zinc/63/23/31/563632331.db2.gz PBXJQRIIHBYHGY-UHFFFAOYSA-N 0 0 317.772 4.077 50 0 DIAARN C[C@@H](O)c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002034934 563634451 /nfs/dbraw/zinc/63/44/51/563634451.db2.gz LGVJAKQYPJSMHM-SNVBAGLBSA-N 0 0 324.302 4.403 50 0 DIAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000206763095 563638302 /nfs/dbraw/zinc/63/83/02/563638302.db2.gz DYTWYSNWESKPCI-SJPCQFCGSA-N 0 0 317.498 4.483 50 0 DIAARN O=C(c1ccncc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206879011 563639572 /nfs/dbraw/zinc/63/95/72/563639572.db2.gz JSZGODVIOFYLQT-MRXNPFEDSA-N 0 0 314.816 4.145 50 0 DIAARN Cc1cccc(NC(=O)NCc2cncc(-c3ccsc3)c2)c1 ZINC000206949075 563639924 /nfs/dbraw/zinc/63/99/24/563639924.db2.gz NWLILGWFESALBA-UHFFFAOYSA-N 0 0 323.421 4.440 50 0 DIAARN O=C(CSc1ncnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000008188662 563642077 /nfs/dbraw/zinc/64/20/77/563642077.db2.gz JPZOIAOGDZEUHW-UHFFFAOYSA-N 0 0 320.417 4.094 50 0 DIAARN O=C(/C=C\c1ccco1)Nc1ccccc1N1CCCCCC1 ZINC000098004268 563645532 /nfs/dbraw/zinc/64/55/32/563645532.db2.gz WZHXLELXMHRFAO-QXMHVHEDSA-N 0 0 310.397 4.312 50 0 DIAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCCC1 ZINC000011524027 563650092 /nfs/dbraw/zinc/65/00/92/563650092.db2.gz JXBPLQMVLOTAEY-UHFFFAOYSA-N 0 0 315.442 4.025 50 0 DIAARN Nc1cccc2c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cccc12 ZINC000000492744 563650311 /nfs/dbraw/zinc/65/03/11/563650311.db2.gz LXFWPKWRSTYWCW-SJORKVTESA-N 0 0 302.377 4.164 50 0 DIAARN COc1ccc(-c2cn3c4ccccc4sc3n2)cc1OC ZINC000000496004 563650922 /nfs/dbraw/zinc/65/09/22/563650922.db2.gz HQPOVQTTWWJLQM-UHFFFAOYSA-N 0 0 310.378 4.233 50 0 DIAARN CCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 ZINC000012528052 563652712 /nfs/dbraw/zinc/65/27/12/563652712.db2.gz OGEHGZSZLKGBCS-OUKQBFOZSA-N 0 0 302.377 4.449 50 0 DIAARN Cc1c(Cl)cccc1Nc1c(N)oc(=O)c2ccccc21 ZINC000101425612 563655628 /nfs/dbraw/zinc/65/56/28/563655628.db2.gz DDMRLTIZAFWFAO-UHFFFAOYSA-N 0 0 300.745 4.081 50 0 DIAARN c1coc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1 ZINC000000508255 563657594 /nfs/dbraw/zinc/65/75/94/563657594.db2.gz MFCXPCDQKWTHJE-UHFFFAOYSA-N 0 0 312.332 4.229 50 0 DIAARN CC(C)c1ccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000101973532 563658088 /nfs/dbraw/zinc/65/80/88/563658088.db2.gz QRMKGCFJJXHMKW-MRXNPFEDSA-N 0 0 324.384 4.428 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000102371484 563659399 /nfs/dbraw/zinc/65/93/99/563659399.db2.gz SFXIUBLQLZXSLE-WWGRRREGSA-N 0 0 321.848 4.244 50 0 DIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000102535095 563660499 /nfs/dbraw/zinc/66/04/99/563660499.db2.gz WUEUUIXNSHDMAI-GHMZBOCLSA-N 0 0 315.244 4.052 50 0 DIAARN O=C(COc1ccc(-c2ccccc2)cc1)NC1CCCCC1 ZINC000000516358 563661522 /nfs/dbraw/zinc/66/15/22/563661522.db2.gz UIVQISOCHNHNHD-UHFFFAOYSA-N 0 0 309.409 4.181 50 0 DIAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000102701091 563661580 /nfs/dbraw/zinc/66/15/80/563661580.db2.gz ADBLCXKVLSFZLV-KZBLUPIWSA-N 0 0 315.363 4.192 50 0 DIAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000102729404 563661598 /nfs/dbraw/zinc/66/15/98/563661598.db2.gz OCZCJYXEFOMHMI-INIZCTEOSA-N 0 0 310.353 4.206 50 0 DIAARN C[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000000519989 563662554 /nfs/dbraw/zinc/66/25/54/563662554.db2.gz OXWFTMXZJCILRG-CQSZACIVSA-N 0 0 304.397 4.071 50 0 DIAARN C[C@H]1C[C@H](C)CN(c2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000000520955 563664157 /nfs/dbraw/zinc/66/41/57/563664157.db2.gz RZOQKTWQEPZBEZ-GJZGRUSLSA-N 0 0 318.424 4.174 50 0 DIAARN CCOC(=O)c1c(C)n(CC)c2c1cc(OC)c1ccccc21 ZINC000000521783 563664572 /nfs/dbraw/zinc/66/45/72/563664572.db2.gz IRLGKLWEYFNRAV-UHFFFAOYSA-N 0 0 311.381 4.308 50 0 DIAARN O=C(Oc1ccc(F)cc1)c1cc(Cl)nc2ccccc21 ZINC000000529056 563665302 /nfs/dbraw/zinc/66/53/02/563665302.db2.gz 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563716016 /nfs/dbraw/zinc/71/60/16/563716016.db2.gz PVXFMLDIXFWVDS-UHFFFAOYSA-N 0 0 311.204 4.160 50 0 DIAARN CN(c1ccc2ccccc2c1)S(=O)(=O)/C=C/c1ccccc1 ZINC000007403269 563716126 /nfs/dbraw/zinc/71/61/26/563716126.db2.gz WWXYQKMYQSEYPS-BUHFOSPRSA-N 0 0 323.417 4.277 50 0 DIAARN Cn1ccc2c1cccc2NC(=O)CCCCCn1cccc1 ZINC000604418698 563719153 /nfs/dbraw/zinc/71/91/53/563719153.db2.gz KNLJDGZZEWAKHX-UHFFFAOYSA-N 0 0 309.413 4.179 50 0 DIAARN O=C(NC1CCC(F)(F)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000390830785 563719716 /nfs/dbraw/zinc/71/97/16/563719716.db2.gz NLESCRKQRARWTL-UHFFFAOYSA-N 0 0 312.747 4.129 50 0 DIAARN Cc1ccccc1-c1nnc(NC(=O)C2CCCCC2)s1 ZINC000000818975 563720621 /nfs/dbraw/zinc/72/06/21/563720621.db2.gz PILBAFINYHUBCH-UHFFFAOYSA-N 0 0 301.415 4.032 50 0 DIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccccc1F ZINC000390831836 563720637 /nfs/dbraw/zinc/72/06/37/563720637.db2.gz VJBNMFXFADZDAK-CYBMUJFWSA-N 0 0 309.450 4.352 50 0 DIAARN Cc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1C ZINC000008291732 563720718 /nfs/dbraw/zinc/72/07/18/563720718.db2.gz UYRPMHHLCJSZNE-UHFFFAOYSA-N 0 0 310.422 4.484 50 0 DIAARN O=C(Nc1cccc2ncccc21)c1ccc2ncsc2c1 ZINC000008231316 563720739 /nfs/dbraw/zinc/72/07/39/563720739.db2.gz VORRJQLSXHZGGX-UHFFFAOYSA-N 0 0 305.362 4.097 50 0 DIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000008304682 563721328 /nfs/dbraw/zinc/72/13/28/563721328.db2.gz YRJCFPXMGMLWKD-UHFFFAOYSA-N 0 0 309.340 4.324 50 0 DIAARN CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000085899401 563721815 /nfs/dbraw/zinc/72/18/15/563721815.db2.gz IBKJBELGYVDFBT-UHFFFAOYSA-N 0 0 323.371 4.417 50 0 DIAARN Cc1ccc(-c2noc(-c3cccnc3NC3CCCC3)n2)cc1 ZINC000033317774 563723881 /nfs/dbraw/zinc/72/38/81/563723881.db2.gz IJXDJUYPLKMLRM-UHFFFAOYSA-N 0 0 320.396 4.462 50 0 DIAARN Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)c2cccc(C)c2n1 ZINC000033252835 563724190 /nfs/dbraw/zinc/72/41/90/563724190.db2.gz ZQZFVBUAOWRMAI-OAHLLOKOSA-N 0 0 318.420 4.385 50 0 DIAARN Cc1ccc([C@H](C)C(=O)N(C)Cc2cnc3ccccc3c2)cc1 ZINC000222286013 563724514 /nfs/dbraw/zinc/72/45/14/563724514.db2.gz XKXWJIDPRBLFPH-INIZCTEOSA-N 0 0 318.420 4.305 50 0 DIAARN C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1OC(F)F ZINC000025300078 563726569 /nfs/dbraw/zinc/72/65/69/563726569.db2.gz RHNUEQKSFKKQFY-MRVPVSSYSA-N 0 0 315.703 4.025 50 0 DIAARN c1cc2c(s1)CCN(Cc1ccc([C@@H]3CCCCO3)o1)C2 ZINC000223216322 563731925 /nfs/dbraw/zinc/73/19/25/563731925.db2.gz WGGMGDUKAFNVFN-HNNXBMFYSA-N 0 0 303.427 4.141 50 0 DIAARN CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cccnc1 ZINC000038151023 563739396 /nfs/dbraw/zinc/73/93/96/563739396.db2.gz BROIOQNTPQBBCA-INIZCTEOSA-N 0 0 320.329 4.458 50 0 DIAARN O=C(Nc1cccc2[nH]ccc21)N1CC2(CC2)c2ccccc21 ZINC000225411943 563754033 /nfs/dbraw/zinc/75/40/33/563754033.db2.gz CYSKYWJXJLKZDH-UHFFFAOYSA-N 0 0 303.365 4.252 50 0 DIAARN CC(C)c1ccc2nc([C@@H]3CCCC(F)(F)C3)[nH]c(=O)c2c1 ZINC000225840124 563764866 /nfs/dbraw/zinc/76/48/66/563764866.db2.gz ZMDLIAIWZGAKHM-GFCCVEGCSA-N 0 0 306.356 4.339 50 0 DIAARN C[C@@H]1CCCN(c2nc3ccccc3c(N3CCCCCC3)n2)C1 ZINC000041149310 563770365 /nfs/dbraw/zinc/77/03/65/563770365.db2.gz BXRPZAUNNCENNG-MRXNPFEDSA-N 0 0 324.472 4.247 50 0 DIAARN Cn1c2ccccc2nc1NCc1ccc(Cl)c(Cl)c1 ZINC000000858830 563772824 /nfs/dbraw/zinc/77/28/24/563772824.db2.gz PEJXJYQDRSYCMZ-UHFFFAOYSA-N 0 0 306.196 4.492 50 0 DIAARN CCOc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000000614219 563774907 /nfs/dbraw/zinc/77/49/07/563774907.db2.gz OOMIWUDPFMCXSM-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN CC[C@H](Nc1ncc(Cl)cn1)c1nc(C(F)(F)F)cs1 ZINC000240407406 563776560 /nfs/dbraw/zinc/77/65/60/563776560.db2.gz FLZPPXJLWIHPKH-ZETCQYMHSA-N 0 0 322.743 4.169 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@]1(CO)CC(C)C ZINC000240707820 563776713 /nfs/dbraw/zinc/77/67/13/563776713.db2.gz HQRKYRHRKDALER-QGZVFWFLSA-N 0 0 324.852 4.053 50 0 DIAARN Cc1nc(CN(C)C(=O)Nc2ccc(C3CC3)c(F)c2)cs1 ZINC000241170925 563777361 /nfs/dbraw/zinc/77/73/61/563777361.db2.gz KCWHFSRSDHELEJ-UHFFFAOYSA-N 0 0 319.405 4.132 50 0 DIAARN CCOc1ccc(C(=O)N(CC)c2ccc3[nH]ccc3c2)cc1 ZINC000241837498 563777932 /nfs/dbraw/zinc/77/79/32/563777932.db2.gz SKRJYSRQYFNRTO-UHFFFAOYSA-N 0 0 308.381 4.233 50 0 DIAARN Cc1nc(CC(C)C)oc1C(=O)N1CCCC[C@@H]2CCCC[C@H]21 ZINC000241815966 563778242 /nfs/dbraw/zinc/77/82/42/563778242.db2.gz SEMXACLYFAMZHN-JKSUJKDBSA-N 0 0 318.461 4.366 50 0 DIAARN Cc1ccc(C)c(OCCCN(C)Cc2cc(C3CC3)on2)c1 ZINC000244715905 563778888 /nfs/dbraw/zinc/77/88/88/563778888.db2.gz LEKVOKOYULWOLY-UHFFFAOYSA-N 0 0 314.429 4.070 50 0 DIAARN O=C([C@H]1CC1(c1ccccc1)c1ccccc1)N1CCCCCC1 ZINC000000983788 563785724 /nfs/dbraw/zinc/78/57/24/563785724.db2.gz CYCPDIDKUAQIJI-HXUWFJFHSA-N 0 0 319.448 4.395 50 0 DIAARN C[C@H](c1ccccc1Cl)N(C)Cc1nc(-c2ccco2)no1 ZINC000052162655 563785932 /nfs/dbraw/zinc/78/59/32/563785932.db2.gz MKRLTKDTCSDDSY-LLVKDONJSA-N 0 0 317.776 4.176 50 0 DIAARN Fc1c(Br)c(Br)ccc1C(F)(F)F ZINC000263623801 563794722 /nfs/dbraw/zinc/79/47/22/563794722.db2.gz KVPQLXJHMDBBLA-UHFFFAOYSA-N 0 0 321.893 4.370 50 0 DIAARN C[C@H]1CCc2ccccc2N1C(=O)c1cccc(-n2cccc2)c1 ZINC000012516257 563796864 /nfs/dbraw/zinc/79/68/64/563796864.db2.gz GZIKBHRCLOMFOG-INIZCTEOSA-N 0 0 316.404 4.459 50 0 DIAARN CC(C)c1ccccc1NC(=S)NCc1nc2ccccc2[nH]1 ZINC000012510512 563796949 /nfs/dbraw/zinc/79/69/49/563796949.db2.gz FUYXCLHBQVLWAX-UHFFFAOYSA-N 0 0 324.453 4.173 50 0 DIAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)o1 ZINC000012523485 563797746 /nfs/dbraw/zinc/79/77/46/563797746.db2.gz VZFMTNFVLVJCCC-UHFFFAOYSA-N 0 0 304.777 4.176 50 0 DIAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2[nH]cnc2c1 ZINC000012535725 563798970 /nfs/dbraw/zinc/79/89/70/563798970.db2.gz WAYGVGFXXFIWET-NSHDSACASA-N 0 0 313.788 4.050 50 0 DIAARN COc1ccc(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000012537094 563799115 /nfs/dbraw/zinc/79/91/15/563799115.db2.gz FNNGEMCRCSMOLZ-CYBMUJFWSA-N 0 0 309.369 4.227 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccccc21 ZINC000003248684 563799695 /nfs/dbraw/zinc/79/96/95/563799695.db2.gz RQJQIMXVXAFVEL-UHFFFAOYSA-N 0 0 304.393 4.080 50 0 DIAARN Cc1nc2ccccc2n1Cc1cccc(Br)c1 ZINC000012544400 563800231 /nfs/dbraw/zinc/80/02/31/563800231.db2.gz BGFKDOPCYUBTAA-UHFFFAOYSA-N 0 0 301.187 4.156 50 0 DIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(C)cn3)ccc2c1 ZINC000012544982 563800656 /nfs/dbraw/zinc/80/06/56/563800656.db2.gz KUJWTVQUGTZVCE-CQSZACIVSA-N 0 0 320.392 4.294 50 0 DIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@@H]1CC=CCC1 ZINC000012548973 563800661 /nfs/dbraw/zinc/80/06/61/563800661.db2.gz IELLZMZGQFYGHZ-CQSZACIVSA-N 0 0 309.413 4.058 50 0 DIAARN CCCn1ccnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000012578027 563802289 /nfs/dbraw/zinc/80/22/89/563802289.db2.gz CEGZXHJQERJEJU-LLVKDONJSA-N 0 0 323.849 4.066 50 0 DIAARN O=C(CCc1ccco1)N[C@H](c1cccs1)c1ccccc1 ZINC000012616465 563803610 /nfs/dbraw/zinc/80/36/10/563803610.db2.gz YOLLWEGBCVNSRH-SFHVURJKSA-N 0 0 311.406 4.180 50 0 DIAARN O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012607560 563803703 /nfs/dbraw/zinc/80/37/03/563803703.db2.gz AQLJYTBMJVDHTI-LPHOPBHVSA-N 0 0 308.425 4.272 50 0 DIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(Cl)c1)C2 ZINC000012619980 563804180 /nfs/dbraw/zinc/80/41/80/563804180.db2.gz NOOHDHIWXXMVRK-HNNXBMFYSA-N 0 0 303.814 4.304 50 0 DIAARN Cc1ccccc1CCNc1ncnc2sc3c(c21)CCC3 ZINC000012620043 563804274 /nfs/dbraw/zinc/80/42/74/563804274.db2.gz NNLLMQJDOUYALL-UHFFFAOYSA-N 0 0 309.438 4.143 50 0 DIAARN Cc1ccccc1NC(=O)c1occc1COc1ccccc1 ZINC000012618338 563804275 /nfs/dbraw/zinc/80/42/75/563804275.db2.gz HVGFWJPYTXOADF-UHFFFAOYSA-N 0 0 307.349 4.419 50 0 DIAARN Cc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012618360 563804446 /nfs/dbraw/zinc/80/44/46/563804446.db2.gz ONCBGEGCZKKNCS-UHFFFAOYSA-N 0 0 306.365 4.221 50 0 DIAARN Cc1ccc(NC(=O)N(C)CCC[C@H]2CCCO2)cc1Cl ZINC000299766108 563805550 /nfs/dbraw/zinc/80/55/50/563805550.db2.gz AGWMWBAYQXFLAP-AWEZNQCLSA-N 0 0 310.825 4.071 50 0 DIAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(C)n1C ZINC000299766965 563805580 /nfs/dbraw/zinc/80/55/80/563805580.db2.gz FQSBUAZVAYGAEZ-GOSISDBHSA-N 0 0 314.404 4.148 50 0 DIAARN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccn2)c(F)c1 ZINC000299785022 563805785 /nfs/dbraw/zinc/80/57/85/563805785.db2.gz IPNMAFDVNZJAAN-QGZVFWFLSA-N 0 0 313.376 4.288 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004023053 563807633 /nfs/dbraw/zinc/80/76/33/563807633.db2.gz XWALNWXLMVGSFR-XUFBONQXSA-N 0 0 300.442 4.045 50 0 biogenic DIAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Cl)cc1 ZINC000012621919 563807699 /nfs/dbraw/zinc/80/76/99/563807699.db2.gz LNSWQHFQRSHKPV-AWEZNQCLSA-N 0 0 321.804 4.446 50 0 DIAARN CN1CCCCc2c3ccccc3n(-c3ccccc3)c2C1=O ZINC000001253080 563810100 /nfs/dbraw/zinc/81/01/00/563810100.db2.gz LMDSCPQKFWEWGJ-UHFFFAOYSA-N 0 0 304.393 4.039 50 0 DIAARN O=C(O[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000032131635 563812027 /nfs/dbraw/zinc/81/20/27/563812027.db2.gz JXUSSZXXZIJFDP-HDICACEKSA-N 0 0 324.376 4.012 50 0 DIAARN O=C(c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001358603 563812369 /nfs/dbraw/zinc/81/23/69/563812369.db2.gz KNPVZWYWLQEJLU-UHFFFAOYSA-N 0 0 322.433 4.316 50 0 DIAARN CSc1nc(Oc2ccc(F)cc2F)cc(C(F)(F)F)n1 ZINC000001386980 563815257 /nfs/dbraw/zinc/81/52/57/563815257.db2.gz GCWXXPBVQLDBBO-UHFFFAOYSA-N 0 0 322.258 4.288 50 0 DIAARN FC(F)(F)c1cc(Oc2ccccc2)nc(-c2ccccn2)n1 ZINC000001387867 563815320 /nfs/dbraw/zinc/81/53/20/563815320.db2.gz JXJKOYBVRUXXDT-UHFFFAOYSA-N 0 0 317.270 4.350 50 0 DIAARN COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OC ZINC000001386778 563815340 /nfs/dbraw/zinc/81/53/40/563815340.db2.gz XGDAPLSUTGJWAA-UHFFFAOYSA-N 0 0 315.760 4.044 50 0 DIAARN CC(C)(C)[C@@H]1COc2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001392403 563817563 /nfs/dbraw/zinc/81/75/63/563817563.db2.gz KGDGIUNOWNPYFF-KRWDZBQOSA-N 0 0 313.372 4.280 50 0 DIAARN Cc1ccc(S[C@H]2CCS(=O)(=O)c3sccc32)cc1 ZINC000001398496 563817935 /nfs/dbraw/zinc/81/79/35/563817935.db2.gz MISSRLDOAHKKIV-ZDUSSCGKSA-N 0 0 310.465 4.067 50 0 DIAARN CSc1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 ZINC000001395673 563818137 /nfs/dbraw/zinc/81/81/37/563818137.db2.gz SGVLHLJTBUQRCS-UHFFFAOYSA-N 0 0 318.405 4.180 50 0 DIAARN CCOc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 ZINC000001400157 563818580 /nfs/dbraw/zinc/81/85/80/563818580.db2.gz CKXXNERVVJCQGK-UHFFFAOYSA-N 0 0 310.197 4.066 50 0 DIAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cncs1 ZINC000001403740 563818685 /nfs/dbraw/zinc/81/86/85/563818685.db2.gz MPDKTTQMJMCPIH-UHFFFAOYSA-N 0 0 303.170 4.199 50 0 DIAARN CC1(C)CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000001403385 563818841 /nfs/dbraw/zinc/81/88/41/563818841.db2.gz JGOIKJJMOZWUOF-UHFFFAOYSA-N 0 0 311.225 4.097 50 0 DIAARN COc1ccc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccco3)cc2c1 ZINC000083970393 563819574 /nfs/dbraw/zinc/81/95/74/563819574.db2.gz RUXBXEIRMDWBOM-IAGOWNOFSA-N 0 0 308.333 4.151 50 0 DIAARN O=c1c2sccc2c2ccsc2cc1Cc1cccnc1 ZINC000001410532 563820342 /nfs/dbraw/zinc/82/03/42/563820342.db2.gz YTMQINFKHWCAAO-UHFFFAOYSA-N 0 0 309.415 4.462 50 0 DIAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)cn3)c2c(C)c1 ZINC000001105733 563820578 /nfs/dbraw/zinc/82/05/78/563820578.db2.gz GBQZKPOYMLRPMP-UHFFFAOYSA-N 0 0 314.772 4.279 50 0 DIAARN Cc1nc2cc(NC(=O)c3cc(Cl)ccc3F)ccc2o1 ZINC000012748853 563821235 /nfs/dbraw/zinc/82/12/35/563821235.db2.gz IZJIFSFGQMLUCJ-UHFFFAOYSA-N 0 0 304.708 4.181 50 0 DIAARN Cc1ccc2n1CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]2C ZINC000001425246 563823058 /nfs/dbraw/zinc/82/30/58/563823058.db2.gz HZTFVHICSJJCMC-NSHDSACASA-N 0 0 323.223 4.320 50 0 DIAARN CCC(CC)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000012756001 563824783 /nfs/dbraw/zinc/82/47/83/563824783.db2.gz CPTDCYUITGSNJX-UHFFFAOYSA-N 0 0 308.381 4.413 50 0 DIAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1cccs1 ZINC000012753934 563825097 /nfs/dbraw/zinc/82/50/97/563825097.db2.gz JLYSLBHNXBXHOA-QWRGUYRKSA-N 0 0 309.818 4.046 50 0 DIAARN Cc1ccc(-c2noc(CN(C)[C@H](C)c3cccs3)n2)cc1 ZINC000012758254 563825133 /nfs/dbraw/zinc/82/51/33/563825133.db2.gz CPSAKYNYQGMBFI-CYBMUJFWSA-N 0 0 313.426 4.300 50 0 DIAARN Cc1noc([C@@H](C)NCc2cccc(Oc3ccccc3)c2)n1 ZINC000084286496 563825716 /nfs/dbraw/zinc/82/57/16/563825716.db2.gz OWXUDIOEDWIEMG-CYBMUJFWSA-N 0 0 309.369 4.021 50 0 DIAARN CC(C)(C)SCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000084240938 563825928 /nfs/dbraw/zinc/82/59/28/563825928.db2.gz SDHUDLBKZCYBOD-INIZCTEOSA-N 0 0 303.471 4.197 50 0 DIAARN CC(C)[C@@H](CNc1ncnc2ccsc21)Nc1ccccc1 ZINC000084410449 563826182 /nfs/dbraw/zinc/82/61/82/563826182.db2.gz RZLRXHKUKPNYLV-OAHLLOKOSA-N 0 0 312.442 4.240 50 0 DIAARN Cc1cnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 ZINC000012766378 563826615 /nfs/dbraw/zinc/82/66/15/563826615.db2.gz UPZIEUHUZYLCHG-UHFFFAOYSA-N 0 0 324.405 4.283 50 0 DIAARN c1csc(-c2noc(CN(Cc3ccsc3)C3CC3)n2)c1 ZINC000084445043 563826814 /nfs/dbraw/zinc/82/68/14/563826814.db2.gz YLIGEGITYRDJOC-UHFFFAOYSA-N 0 0 317.439 4.024 50 0 DIAARN O=C(NCc1ccc(-c2ccccc2)o1)N1CCCCCCC1 ZINC000084562717 563827532 /nfs/dbraw/zinc/82/75/32/563827532.db2.gz ZEHRIFIVJKDOKS-UHFFFAOYSA-N 0 0 312.413 4.422 50 0 DIAARN S=C(Nc1ccccc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000084528463 563827730 /nfs/dbraw/zinc/82/77/30/563827730.db2.gz FSPPKKLIWXBEAT-GOSISDBHSA-N 0 0 310.466 4.481 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc3cccnc32)c(C)c1 ZINC000012773025 563828311 /nfs/dbraw/zinc/82/83/11/563828311.db2.gz YMOLDPCKGXJKIQ-HNNXBMFYSA-N 0 0 320.392 4.258 50 0 DIAARN Cc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012772190 563828325 /nfs/dbraw/zinc/82/83/25/563828325.db2.gz BUPIBWHTFCIUII-UHFFFAOYSA-N 0 0 324.355 4.360 50 0 DIAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 ZINC000084651749 563828843 /nfs/dbraw/zinc/82/88/43/563828843.db2.gz GOOFIQYVTAQVSG-DOPJRALCSA-N 0 0 309.409 4.139 50 0 DIAARN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCC1 ZINC000012775859 563829358 /nfs/dbraw/zinc/82/93/58/563829358.db2.gz ZBNMYXIGEPRNCL-TVRCVXMWSA-N 0 0 317.432 4.200 50 0 DIAARN CCO[C@H](C)c1noc(CNc2c(C)cccc2C(C)C)n1 ZINC000085288198 563835024 /nfs/dbraw/zinc/83/50/24/563835024.db2.gz GSQKXKUFGHAQLJ-CYBMUJFWSA-N 0 0 303.406 4.211 50 0 DIAARN C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2ccccc2s1 ZINC000012807399 563835341 /nfs/dbraw/zinc/83/53/41/563835341.db2.gz NMCVZTKZPJQPLS-CQSZACIVSA-N 0 0 324.449 4.449 50 0 DIAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC(C)(C)C ZINC000063568201 563836789 /nfs/dbraw/zinc/83/67/89/563836789.db2.gz SIWPRAVNQDXQNR-UHFFFAOYSA-N 0 0 302.443 4.264 50 0 DIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc2ccsc2[nH]1 ZINC000012818666 563837226 /nfs/dbraw/zinc/83/72/26/563837226.db2.gz IVNJMXUKKXJDHP-LLVKDONJSA-N 0 0 314.410 4.037 50 0 DIAARN c1c(-c2ccccc2)sc2ncnc(NCc3ccccn3)c12 ZINC000001465534 563837249 /nfs/dbraw/zinc/83/72/49/563837249.db2.gz LXGIVTWCGCXBEL-UHFFFAOYSA-N 0 0 318.405 4.365 50 0 DIAARN CC(=O)CSc1ncnc2sc(C)c(-c3ccccc3)c21 ZINC000001465464 563837450 /nfs/dbraw/zinc/83/74/50/563837450.db2.gz FIKXCQCCDJNIDP-UHFFFAOYSA-N 0 0 314.435 4.348 50 0 DIAARN Cc1nc2sc3c(c2c(N2CCC(C)CC2)n1)CC[C@H](C)C3 ZINC000001465795 563837538 /nfs/dbraw/zinc/83/75/38/563837538.db2.gz PVGYHDJWLLZJJH-LBPRGKRZSA-N 0 0 315.486 4.361 50 0 DIAARN Cc1ccc(-n2ccnc2S[C@H]2CCCCCC2=O)c(C)c1 ZINC000026035556 563839483 /nfs/dbraw/zinc/83/94/83/563839483.db2.gz DBZIAVOXIYKDNZ-KRWDZBQOSA-N 0 0 314.454 4.483 50 0 DIAARN O=C(Nc1nc2c(s1)CCCCC2)c1cc(Cl)ccc1F ZINC000012829213 563843727 /nfs/dbraw/zinc/84/37/27/563843727.db2.gz SLBWZGRHOKEHJQ-UHFFFAOYSA-N 0 0 324.808 4.457 50 0 DIAARN Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(C)c1 ZINC000012828559 563843856 /nfs/dbraw/zinc/84/38/56/563843856.db2.gz ZXTYCBGOGTZMGV-UHFFFAOYSA-N 0 0 300.427 4.281 50 0 DIAARN O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000003145245 563846664 /nfs/dbraw/zinc/84/66/64/563846664.db2.gz ABRHLWPJYNIPHN-UHFFFAOYSA-N 0 0 316.360 4.191 50 0 DIAARN S=C(NCc1cc(Cl)cc(Cl)c1)Nc1ccccc1 ZINC000000399676 563846772 /nfs/dbraw/zinc/84/67/72/563846772.db2.gz JHPQQEFWDDUNQU-UHFFFAOYSA-N 0 0 311.237 4.480 50 0 DIAARN COc1cc(OC)c(NC(=O)/C=C/c2ccccc2)cc1Cl ZINC000001738672 563846831 /nfs/dbraw/zinc/84/68/31/563846831.db2.gz ZSENDNOAOKBSKC-CMDGGOBGSA-N 0 0 317.772 4.009 50 0 DIAARN CCOC(=O)C[C@H](O)c1ccc(C)cc1/C=C/c1ccccc1 ZINC000575372171 563851431 /nfs/dbraw/zinc/85/14/31/563851431.db2.gz BPIDWNLMYJNJCR-VYENPZKTSA-N 0 0 310.393 4.152 50 0 DIAARN C[C@H](NC(=O)COc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000012881533 563851592 /nfs/dbraw/zinc/85/15/92/563851592.db2.gz HWCWIABTGVJTFY-AWEZNQCLSA-N 0 0 323.367 4.235 50 0 DIAARN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000012882383 563852287 /nfs/dbraw/zinc/85/22/87/563852287.db2.gz HDSQQDBUCBJLDV-INIZCTEOSA-N 0 0 319.404 4.404 50 0 DIAARN CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1 ZINC000012896970 563852444 /nfs/dbraw/zinc/85/24/44/563852444.db2.gz PJOMUCWKUSONLS-UHFFFAOYSA-N 0 0 304.393 4.181 50 0 DIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CC3)o2)cc1 ZINC000012885969 563852599 /nfs/dbraw/zinc/85/25/99/563852599.db2.gz JSSSRPXNYHMOML-UHFFFAOYSA-N 0 0 318.376 4.209 50 0 DIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1F ZINC000012886774 563852611 /nfs/dbraw/zinc/85/26/11/563852611.db2.gz IHYSKOKHYNQPHQ-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN COc1ccc(C(C)=O)cc1CSc1ncccc1Cl ZINC000012900429 563853440 /nfs/dbraw/zinc/85/34/40/563853440.db2.gz CTCSGTSMYRBTPZ-UHFFFAOYSA-N 0 0 307.802 4.239 50 0 DIAARN O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCc2ccccc21 ZINC000012911481 563853833 /nfs/dbraw/zinc/85/38/33/563853833.db2.gz ORIGHEWNOXUKJT-INIZCTEOSA-N 0 0 320.219 4.340 50 0 DIAARN Cc1ccc(CNC(=O)c2csc3c2CCCC3)cc1F ZINC000012928150 563854711 /nfs/dbraw/zinc/85/47/11/563854711.db2.gz YGLGKMAZFVCANS-UHFFFAOYSA-N 0 0 303.402 4.004 50 0 DIAARN O=C(N[C@H](c1ccsc1)c1cccs1)[C@H]1CC=CCC1 ZINC000575414676 563856404 /nfs/dbraw/zinc/85/64/04/563856404.db2.gz IJMGLNFIARXHNR-SWLSCSKDSA-N 0 0 303.452 4.372 50 0 DIAARN Cc1c2ccccc2oc(=O)c1C(=O)N[C@H](C)CCCC(C)C ZINC000075105325 563859598 /nfs/dbraw/zinc/85/95/98/563859598.db2.gz AOJDUVYPLUNWRE-CYBMUJFWSA-N 0 0 315.413 4.046 50 0 DIAARN C[C@@H](OC(=O)CC(C)(C)C)c1nc2cc(Cl)ccc2n1C ZINC000075104066 563859859 /nfs/dbraw/zinc/85/98/59/563859859.db2.gz BKBYSFRJWVADSQ-SNVBAGLBSA-N 0 0 308.809 4.267 50 0 DIAARN CCC(CC)c1cc(C(=O)N2CCCc3cccc(F)c32)on1 ZINC000075146166 563860927 /nfs/dbraw/zinc/86/09/27/563860927.db2.gz GUFHLPAKYKCBBV-UHFFFAOYSA-N 0 0 316.376 4.310 50 0 DIAARN CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C ZINC000575473225 563861445 /nfs/dbraw/zinc/86/14/45/563861445.db2.gz OIFLGTCGHIBICZ-NSHDSACASA-N 0 0 313.397 4.108 50 0 DIAARN Cc1cc2c(cc1N)N[C@@H]([C@@]1(C)Cc3ccccc3C1(C)C)CN2 ZINC000075249177 563861696 /nfs/dbraw/zinc/86/16/96/563861696.db2.gz UJSDBBBAQCJNJJ-TZIWHRDSSA-N 0 0 321.468 4.323 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(-n3ccnc3)cc2)cc1 ZINC000075251460 563861897 /nfs/dbraw/zinc/86/18/97/563861897.db2.gz WEGOEUAARIEGGO-UHFFFAOYSA-N 0 0 320.392 4.389 50 0 DIAARN CCCOc1ccc(C2(C(=O)Nc3ccncc3)CCCC2)cc1 ZINC000075271853 563862438 /nfs/dbraw/zinc/86/24/38/563862438.db2.gz VMPFKSKKKGRGNC-UHFFFAOYSA-N 0 0 324.424 4.321 50 0 DIAARN O=C(Oc1cccn2cc(-c3ccccc3)nc12)c1ccccc1 ZINC000075279611 563862807 /nfs/dbraw/zinc/86/28/07/563862807.db2.gz CGSKHUYTXYDDLN-UHFFFAOYSA-N 0 0 314.344 4.221 50 0 DIAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 ZINC000001644595 563863607 /nfs/dbraw/zinc/86/36/07/563863607.db2.gz HSBQNSJYZKDWEL-ZDUSSCGKSA-N 0 0 311.410 4.216 50 0 DIAARN Cc1csc(-c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)n1 ZINC000075291896 563863811 /nfs/dbraw/zinc/86/38/11/563863811.db2.gz CYLCTUWRYSWWFB-OCCSQVGLSA-N 0 0 314.454 4.379 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001681449 563864709 /nfs/dbraw/zinc/86/47/09/563864709.db2.gz UWNZILMYVMCEMY-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN Cc1cc(C(=O)NCc2ccc(-c3ccsc3)o2)c(C)o1 ZINC000575609266 563865544 /nfs/dbraw/zinc/86/55/44/563865544.db2.gz AIYDBEGNXMYKPW-UHFFFAOYSA-N 0 0 301.367 4.148 50 0 DIAARN O=C(NCc1ccc(-c2cccs2)o1)c1ccc(F)c(F)c1 ZINC000575609070 563865827 /nfs/dbraw/zinc/86/58/27/563865827.db2.gz OGYMLQLOFCQQGU-UHFFFAOYSA-N 0 0 319.332 4.216 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000053748677 563866256 /nfs/dbraw/zinc/86/62/56/563866256.db2.gz RDWDLMAOOCKQJX-MRXNPFEDSA-N 0 0 318.323 4.039 50 0 DIAARN Cc1cc(C)c(C)c(SCc2nnnn2-c2ccccc2)c1C ZINC000026564088 563866665 /nfs/dbraw/zinc/86/66/65/563866665.db2.gz FNEVLASWTVGIOC-UHFFFAOYSA-N 0 0 324.453 4.188 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)n1ncc2ccc(C)cc21 ZINC000035422289 563867055 /nfs/dbraw/zinc/86/70/55/563867055.db2.gz GYEUIIXBJVBOBD-UHFFFAOYSA-N 0 0 315.760 4.087 50 0 DIAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000013330129 563867391 /nfs/dbraw/zinc/86/73/91/563867391.db2.gz FELFCXNYILITQS-INIZCTEOSA-N 0 0 323.845 4.078 50 0 DIAARN Clc1ccccc1-c1nnc(SCCc2cccnc2)o1 ZINC000118613086 563870025 /nfs/dbraw/zinc/87/00/25/563870025.db2.gz NJLXFARPZFVBGM-UHFFFAOYSA-N 0 0 317.801 4.120 50 0 DIAARN C(=Cc1ccccc1)c1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000035528095 563872338 /nfs/dbraw/zinc/87/23/38/563872338.db2.gz NCOWHTZFEQRLMU-MDZDMXLPSA-N 0 0 314.348 4.297 50 0 DIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccccc1C ZINC000035536520 563872357 /nfs/dbraw/zinc/87/23/57/563872357.db2.gz WZTFXUJGUONBSK-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN Cc1ccc(Nc2nc(C(=O)Nc3cccnc3)cs2)c(C)c1 ZINC000035596820 563872380 /nfs/dbraw/zinc/87/23/80/563872380.db2.gz JVOKFQKKXLTKLU-UHFFFAOYSA-N 0 0 324.409 4.151 50 0 DIAARN CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1-c1ccc(C)cc1 ZINC000035622465 563872930 /nfs/dbraw/zinc/87/29/30/563872930.db2.gz PWUIIFDJFXWOFU-IBGZPJMESA-N 0 0 321.428 4.016 50 0 DIAARN CSc1ccc(Cl)c(C(=O)NCc2cccc(C)c2)c1 ZINC000012987419 563873361 /nfs/dbraw/zinc/87/33/61/563873361.db2.gz IYTZFOWLFGLDSG-UHFFFAOYSA-N 0 0 305.830 4.300 50 0 DIAARN Cc1ccccc1-c1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000075467518 563873945 /nfs/dbraw/zinc/87/39/45/563873945.db2.gz OQFYBGMQDKLKBB-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN O=[S@@](CCc1ccccc1)Cc1c(Cl)cccc1Cl ZINC000075467143 563874163 /nfs/dbraw/zinc/87/41/63/563874163.db2.gz ZAXRTZFRKKMAFE-LJQANCHMSA-N 0 0 313.249 4.485 50 0 DIAARN c1ccc2c(c1)OCC[C@@H]2Nc1ncnc2sc3c(c21)CCC3 ZINC000035684553 563875057 /nfs/dbraw/zinc/87/50/57/563875057.db2.gz BXMZTTJQYCKVLE-ZDUSSCGKSA-N 0 0 323.421 4.116 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 ZINC000013004886 563875061 /nfs/dbraw/zinc/87/50/61/563875061.db2.gz INNBUMMWGMJGSG-IYBDPMFKSA-N 0 0 321.420 4.036 50 0 DIAARN CSc1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000013006344 563875612 /nfs/dbraw/zinc/87/56/12/563875612.db2.gz IKZWYXWFIJOROY-UHFFFAOYSA-N 0 0 310.422 4.162 50 0 DIAARN CC(C)c1cccc(NC(=O)CCc2ccc3[nH]cnc3c2)c1 ZINC000075478863 563876002 /nfs/dbraw/zinc/87/60/02/563876002.db2.gz XKDBPUVIIQJQAZ-UHFFFAOYSA-N 0 0 307.397 4.258 50 0 DIAARN CC(C)c1nc2cc(CCC(=O)Nc3ccccc3)ccc2[nH]1 ZINC000075478769 563876164 /nfs/dbraw/zinc/87/61/64/563876164.db2.gz KVSRWWHZEMJEES-UHFFFAOYSA-N 0 0 307.397 4.258 50 0 DIAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cccc(F)c1 ZINC000013015423 563876641 /nfs/dbraw/zinc/87/66/41/563876641.db2.gz VJGQACCNQROFJV-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN COc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 ZINC000000390312 563879221 /nfs/dbraw/zinc/87/92/21/563879221.db2.gz NRIVKIVSQWVBHY-UHFFFAOYSA-N 0 0 315.419 4.280 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)c2ccccc2Br)[C@H]1C ZINC000245264668 563881689 /nfs/dbraw/zinc/88/16/89/563881689.db2.gz DSLGRQCCJXUQJF-SUNKGSAMSA-N 0 0 310.235 4.004 50 0 DIAARN CCc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000001892704 563882748 /nfs/dbraw/zinc/88/27/48/563882748.db2.gz DGQUSOAHCBPMFH-UHFFFAOYSA-N 0 0 303.402 4.260 50 0 DIAARN CCc1nc(CN2CC=C(c3c[nH]c4ccccc43)CC2)cs1 ZINC000089289927 563884374 /nfs/dbraw/zinc/88/43/74/563884374.db2.gz BNCICGCXUQPXKE-UHFFFAOYSA-N 0 0 323.465 4.476 50 0 DIAARN Cc1ccc2oc(-c3ccccc3)c/c(=N\C[C@H]3CCCO3)c2c1 ZINC000001916577 563885479 /nfs/dbraw/zinc/88/54/79/563885479.db2.gz VLBQGFUEJQQIBW-QGSQVHNNSA-N 0 0 319.404 4.488 50 0 DIAARN CCOc1ccc(-n2c(C)c3c(c2C)c(OC)cccc3=O)cc1 ZINC000000488328 563887123 /nfs/dbraw/zinc/88/71/23/563887123.db2.gz FMKPASLBKPXDNK-UHFFFAOYSA-N 0 0 323.392 4.015 50 0 biogenic DIAARN O=C(CNc1cccc(F)c1)Nc1cccc(Cl)c1Cl ZINC000007971914 563890445 /nfs/dbraw/zinc/89/04/45/563890445.db2.gz CISYYAMSGVKCBI-UHFFFAOYSA-N 0 0 313.159 4.183 50 0 DIAARN CCc1cccc(C)c1NC(=O)CNc1ccc(Cl)cc1F ZINC000007972694 563891484 /nfs/dbraw/zinc/89/14/84/563891484.db2.gz KLIPFYLATJNMAE-UHFFFAOYSA-N 0 0 320.795 4.401 50 0 DIAARN Cc1ccc(CNc2ncnc3c(-c4ccccc4)noc32)cc1 ZINC000064658342 563891868 /nfs/dbraw/zinc/89/18/68/563891868.db2.gz LZWFKXQWLCFPII-UHFFFAOYSA-N 0 0 316.364 4.205 50 0 DIAARN CCCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657523 563892331 /nfs/dbraw/zinc/89/23/31/563892331.db2.gz KBPYMPIGDSKSHG-UHFFFAOYSA-N 0 0 316.401 4.035 50 0 DIAARN COC(=O)c1cc2ccsc2n1Cc1cccc(Cl)c1 ZINC000064659197 563892402 /nfs/dbraw/zinc/89/24/02/563892402.db2.gz YXTFSUWHXOOTOA-UHFFFAOYSA-N 0 0 305.786 4.191 50 0 DIAARN CN1C(=S)S[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000169685750 563895187 /nfs/dbraw/zinc/89/51/87/563895187.db2.gz VWLWUCKZXTYFGA-HOTGVXAUSA-N 0 0 314.479 4.279 50 0 in-vitro DIAARN Cc1ccc(C(=O)N2CCC[C@H](OCc3cccc(C)c3)C2)cc1 ZINC000036314792 563895224 /nfs/dbraw/zinc/89/52/24/563895224.db2.gz GBOJVWDYTSYWTA-FQEVSTJZSA-N 0 0 323.436 4.125 50 0 DIAARN CN(Cc1ccccc1)C(=O)c1cncc(-c2ccc(F)cc2)c1 ZINC000036348868 563895365 /nfs/dbraw/zinc/89/53/65/563895365.db2.gz GTBBEJHKMSECBL-UHFFFAOYSA-N 0 0 320.367 4.160 50 0 DIAARN Cc1nnc(CSc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000007787272 563919202 /nfs/dbraw/zinc/91/92/02/563919202.db2.gz GBLSSEKEDJHARY-UHFFFAOYSA-N 0 0 308.712 4.343 50 0 DIAARN Clc1cccc(-c2nnc3sc(C4CC4)nn32)c1Cl ZINC000036360410 563896243 /nfs/dbraw/zinc/89/62/43/563896243.db2.gz XYVDTRNWHNADNU-UHFFFAOYSA-N 0 0 311.197 4.037 50 0 DIAARN O=C1C[C@@H](c2cccnc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000036359719 563896412 /nfs/dbraw/zinc/89/64/12/563896412.db2.gz OVSARKRYOJHGHV-LBPRGKRZSA-N 0 0 324.771 4.044 50 0 DIAARN Cc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1 ZINC000006842955 563896664 /nfs/dbraw/zinc/89/66/64/563896664.db2.gz WFPZLMCGVPBURX-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN Cc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000006842878 563896707 /nfs/dbraw/zinc/89/67/07/563896707.db2.gz NNZSPOLHVBECBH-GFCCVEGCSA-N 0 0 316.788 4.468 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@H](C)Oc3ccc(C)cc32)c(C)c1 ZINC000006842801 563896748 /nfs/dbraw/zinc/89/67/48/563896748.db2.gz VHOFBLBKISQBBT-HNNXBMFYSA-N 0 0 310.397 4.431 50 0 DIAARN CC[C@@H]1CN(C(=O)Nc2ccccc2F)c2ccccc2O1 ZINC000006845307 563897156 /nfs/dbraw/zinc/89/71/56/563897156.db2.gz HOJOQAPUMCDXAJ-GFCCVEGCSA-N 0 0 300.333 4.035 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CCOc1cccc(C)c1 ZINC000006867627 563897536 /nfs/dbraw/zinc/89/75/36/563897536.db2.gz AMWPQXLYCOJOPD-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN O=C(NCCCc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000006864148 563897538 /nfs/dbraw/zinc/89/75/38/563897538.db2.gz GPBHPOCNIHVVBJ-UHFFFAOYSA-N 0 0 322.330 4.460 50 0 DIAARN O=C(c1cccc2ccccc21)N1CCc2cc(F)c(F)cc21 ZINC000036393357 563898360 /nfs/dbraw/zinc/89/83/60/563898360.db2.gz PEDKBFXNBYYVLY-UHFFFAOYSA-N 0 0 309.315 4.321 50 0 DIAARN CCOc1ccc(C(C)=O)cc1CN(C)Cc1ccc(C)cc1 ZINC000006881550 563898444 /nfs/dbraw/zinc/89/84/44/563898444.db2.gz ZJSWPQBTHSVMDY-UHFFFAOYSA-N 0 0 311.425 4.228 50 0 DIAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1cccs1 ZINC000036398428 563898689 /nfs/dbraw/zinc/89/86/89/563898689.db2.gz VYURVYWYQGUPLE-GFCCVEGCSA-N 0 0 307.846 4.082 50 0 DIAARN Cc1nc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)sc1C ZINC000036420566 563899240 /nfs/dbraw/zinc/89/92/40/563899240.db2.gz ZYXIKPWAWUHPDO-TVQRCGJNSA-N 0 0 304.415 4.048 50 0 DIAARN Cc1ccccc1Cc1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000065137152 563899727 /nfs/dbraw/zinc/89/97/27/563899727.db2.gz NLHCBHOLJMKGSP-UHFFFAOYSA-N 0 0 316.364 4.026 50 0 DIAARN Cc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1C ZINC000065137155 563899744 /nfs/dbraw/zinc/89/97/44/563899744.db2.gz GSQNFRKXDKXVEV-UHFFFAOYSA-N 0 0 316.364 4.411 50 0 DIAARN O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000006926968 563899783 /nfs/dbraw/zinc/89/97/83/563899783.db2.gz WXEPALNYJSXAAT-UHFFFAOYSA-N 0 0 309.196 4.358 50 0 DIAARN CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2cccnc21 ZINC000065216744 563900813 /nfs/dbraw/zinc/90/08/13/563900813.db2.gz YXDHPAAOEDZATL-UHFFFAOYSA-N 0 0 313.788 4.352 50 0 DIAARN Cc1cc(O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl ZINC000006988753 563900848 /nfs/dbraw/zinc/90/08/48/563900848.db2.gz AMXVVDXXEGHWSV-KRWDZBQOSA-N 0 0 315.800 4.047 50 0 DIAARN CCCn1cc(C(=O)NCCC2=CCCCC2)c2cccnc21 ZINC000065216736 563900864 /nfs/dbraw/zinc/90/08/64/563900864.db2.gz VNKJFSCHYNGZPM-UHFFFAOYSA-N 0 0 311.429 4.067 50 0 DIAARN Cc1nc2ccc(NC(=O)CCOc3ccccc3)cc2s1 ZINC000006998317 563900993 /nfs/dbraw/zinc/90/09/93/563900993.db2.gz WDSUNLODYPNGOK-UHFFFAOYSA-N 0 0 312.394 4.012 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)on1 ZINC000007007268 563901130 /nfs/dbraw/zinc/90/11/30/563901130.db2.gz NWHDDZOQQIKRBH-UHFFFAOYSA-N 0 0 308.337 4.336 50 0 DIAARN O=C(CCCc1ccccc1)Nc1cnc(-c2ccccc2)nc1 ZINC000065225045 563901187 /nfs/dbraw/zinc/90/11/87/563901187.db2.gz CIVLOXWTIUHNJE-UHFFFAOYSA-N 0 0 317.392 4.105 50 0 DIAARN COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 ZINC000013127317 563901441 /nfs/dbraw/zinc/90/14/41/563901441.db2.gz KSGVQCLVXCCSCL-UHFFFAOYSA-N 0 0 300.745 4.111 50 0 DIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]1c1cccs1 ZINC000036621189 563901446 /nfs/dbraw/zinc/90/14/46/563901446.db2.gz KIMALSFXGGAFMS-HNNXBMFYSA-N 0 0 324.405 4.380 50 0 DIAARN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000036621120 563901460 /nfs/dbraw/zinc/90/14/60/563901460.db2.gz DWHLLCDRHNPLQF-GOSISDBHSA-N 0 0 312.388 4.181 50 0 DIAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620553 563901567 /nfs/dbraw/zinc/90/15/67/563901567.db2.gz YWAZFVGLPQDDAG-INIZCTEOSA-N 0 0 302.324 4.334 50 0 DIAARN O=C(NCCCc1ccccc1)c1cc2cn(C3CC3)cc2s1 ZINC000065285648 563902235 /nfs/dbraw/zinc/90/22/35/563902235.db2.gz PAUGXDQRAVMRCU-UHFFFAOYSA-N 0 0 324.449 4.400 50 0 DIAARN C[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)c1nccs1 ZINC000170068413 563903673 /nfs/dbraw/zinc/90/36/73/563903673.db2.gz IHQJRSOTMROSCF-NSHDSACASA-N 0 0 313.382 4.162 50 0 DIAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(C)c2)n1 ZINC000036748347 563904025 /nfs/dbraw/zinc/90/40/25/563904025.db2.gz SKGGOBZROVYSLO-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 ZINC000036776088 563904332 /nfs/dbraw/zinc/90/43/32/563904332.db2.gz LFJHGLBVBZUXOL-OAHLLOKOSA-N 0 0 319.408 4.071 50 0 DIAARN Cc1nnc(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)s1 ZINC000007180171 563904344 /nfs/dbraw/zinc/90/43/44/563904344.db2.gz JCIIDVJMECXKHS-SECBINFHSA-N 0 0 318.427 4.058 50 0 DIAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000007218537 563904614 /nfs/dbraw/zinc/90/46/14/563904614.db2.gz CZEINCONGRNWEV-CQSZACIVSA-N 0 0 322.191 4.247 50 0 DIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000007223223 563904647 /nfs/dbraw/zinc/90/46/47/563904647.db2.gz URHMQCPDZUAEKS-NSHDSACASA-N 0 0 306.768 4.227 50 0 DIAARN C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCC1 ZINC000007225226 563904655 /nfs/dbraw/zinc/90/46/55/563904655.db2.gz AVKHYXFYBTZONI-ZDUSSCGKSA-N 0 0 308.381 4.009 50 0 DIAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000007242466 563904916 /nfs/dbraw/zinc/90/49/16/563904916.db2.gz RVTJFHWHFRXCNR-GFCCVEGCSA-N 0 0 314.816 4.268 50 0 DIAARN Cc1ccc(Oc2ccc(N[C@H](C)C(=O)N3CCCC3)cc2)cc1 ZINC000007243380 563904944 /nfs/dbraw/zinc/90/49/44/563904944.db2.gz WAJYFHANSZNCQG-MRXNPFEDSA-N 0 0 324.424 4.210 50 0 DIAARN CC[C@@H](C)c1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1 ZINC000007238896 563904952 /nfs/dbraw/zinc/90/49/52/563904952.db2.gz SGKHUWGMLMINCE-GFCCVEGCSA-N 0 0 314.458 4.273 50 0 DIAARN CN(Cc1ccccc1F)C(=O)Cc1cccc2ccccc21 ZINC000007265744 563904963 /nfs/dbraw/zinc/90/49/63/563904963.db2.gz IHJJERHXVJNNLA-UHFFFAOYSA-N 0 0 307.368 4.180 50 0 DIAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)cc(F)c1 ZINC000007348688 563905371 /nfs/dbraw/zinc/90/53/71/563905371.db2.gz FSBMLRQIZIXBID-UHFFFAOYSA-N 0 0 311.715 4.188 50 0 DIAARN c1ccc(OCCCn2c3ccccc3nc2[C@@H]2CCCO2)cc1 ZINC000007343600 563905434 /nfs/dbraw/zinc/90/54/34/563905434.db2.gz RTESZEKANIAJBC-IBGZPJMESA-N 0 0 322.408 4.357 50 0 DIAARN O=c1ccc2ccc(OCc3ncc(-c4ccccc4)o3)cc2o1 ZINC000007393444 563905713 /nfs/dbraw/zinc/90/57/13/563905713.db2.gz BDSUQMVRJQMENA-UHFFFAOYSA-N 0 0 319.316 4.027 50 0 DIAARN Cc1ccccc1-c1noc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1 ZINC000007424953 563906042 /nfs/dbraw/zinc/90/60/42/563906042.db2.gz CZAHRIPYGHJQGF-UHFFFAOYSA-N 0 0 320.327 4.241 50 0 DIAARN COc1cc(N[C@H](C)c2cncc(F)c2)c(OC)cc1Cl ZINC000170592811 563906642 /nfs/dbraw/zinc/90/66/42/563906642.db2.gz QSVQUVGXRWDAIU-SECBINFHSA-N 0 0 310.756 4.064 50 0 DIAARN CC(C)(C)c1csc(-c2cccc(NC(=O)C3CC3)c2)n1 ZINC000170593534 563906955 /nfs/dbraw/zinc/90/69/55/563906955.db2.gz SYXCVPVEOXVEBD-UHFFFAOYSA-N 0 0 300.427 4.456 50 0 DIAARN C[C@@]1(Cc2ccccc2)CCCN1c1ccc(C(F)(F)F)nn1 ZINC000170596917 563907013 /nfs/dbraw/zinc/90/70/13/563907013.db2.gz ONTFCCUOEZGPPW-INIZCTEOSA-N 0 0 321.346 4.097 50 0 DIAARN CC(C)(Oc1cccc(Cl)c1)c1nc(-c2ccccn2)no1 ZINC000170609048 563907627 /nfs/dbraw/zinc/90/76/27/563907627.db2.gz HSGWNQINSJCWGN-UHFFFAOYSA-N 0 0 315.760 4.099 50 0 DIAARN Clc1ccc(-c2cnc(SCc3ncccn3)o2)cc1 ZINC000170611038 563907698 /nfs/dbraw/zinc/90/76/98/563907698.db2.gz DHAZJKFXAGDRFU-UHFFFAOYSA-N 0 0 303.774 4.077 50 0 DIAARN Cc1nc2scc(CC(C)C)c2c(N[C@H](C)c2ncc[nH]2)n1 ZINC000170616215 563908424 /nfs/dbraw/zinc/90/84/24/563908424.db2.gz KGRIHVDQZPIYAA-SNVBAGLBSA-N 0 0 315.446 4.094 50 0 DIAARN Cc1c(Cl)cccc1N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000007545503 563908620 /nfs/dbraw/zinc/90/86/20/563908620.db2.gz VHBDNYGZIOVUMP-KRWDZBQOSA-N 0 0 314.816 4.080 50 0 DIAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626862 563908712 /nfs/dbraw/zinc/90/87/12/563908712.db2.gz XYCMCXHSAPUUPG-HXUWFJFHSA-N 0 0 321.424 4.039 50 0 DIAARN Cc1noc([C@H](NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C(C)C)n1 ZINC000170625502 563908789 /nfs/dbraw/zinc/90/87/89/563908789.db2.gz ZPEBEMWMTGQKDF-DUVNUKRYSA-N 0 0 321.465 4.044 50 0 DIAARN Cc1nc2ccc(C(=O)Nc3cccc4[nH]ccc43)cc2s1 ZINC000071284591 563909123 /nfs/dbraw/zinc/90/91/23/563909123.db2.gz HFEHOLRLIAVWHK-UHFFFAOYSA-N 0 0 307.378 4.338 50 0 DIAARN COc1ccccc1[C@@H]1SC(C)=Nc2c1c(=O)[nH]n2C(C)C ZINC000071284947 563909137 /nfs/dbraw/zinc/90/91/37/563909137.db2.gz CFCUTGIXEBZEQF-AWEZNQCLSA-N 0 0 317.414 4.064 50 0 DIAARN COc1ccc(SCCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000010219602 563909359 /nfs/dbraw/zinc/90/93/59/563909359.db2.gz OWWSITBDPIKZER-UHFFFAOYSA-N 0 0 323.364 4.094 50 0 DIAARN Cc1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 ZINC000013320468 563909495 /nfs/dbraw/zinc/90/94/95/563909495.db2.gz NNQRBAYETSNCLH-UHFFFAOYSA-N 0 0 319.670 4.299 50 0 DIAARN CSc1cccc(NC(=O)NCCCc2ccccc2)c1 ZINC000013320058 563909501 /nfs/dbraw/zinc/90/95/01/563909501.db2.gz STDCMVUHIOGFID-UHFFFAOYSA-N 0 0 300.427 4.163 50 0 DIAARN Cc1cc(C)nc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000013326418 563909533 /nfs/dbraw/zinc/90/95/33/563909533.db2.gz WCLLDWGVOBTESK-UHFFFAOYSA-N 0 0 309.196 4.186 50 0 DIAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000014669481 563910860 /nfs/dbraw/zinc/91/08/60/563910860.db2.gz LKDYOAUVPVYHFN-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN Cc1cc(C)c(NC(=O)c2cn3c(cccc3C)n2)c(Cl)c1 ZINC000014669290 563910948 /nfs/dbraw/zinc/91/09/48/563910948.db2.gz UJQKOTXDZOKTIQ-UHFFFAOYSA-N 0 0 313.788 4.165 50 0 DIAARN O=C(Nc1cccc(-c2ncco2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000089779610 563911239 /nfs/dbraw/zinc/91/12/39/563911239.db2.gz COOIFZPGRLEHMY-IAGOWNOFSA-N 0 0 322.339 4.223 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC000089927278 563912328 /nfs/dbraw/zinc/91/23/28/563912328.db2.gz PBDLBYMFASZGIH-RKDXNWHRSA-N 0 0 320.742 4.062 50 0 DIAARN COc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2)cc1 ZINC000037350245 563912402 /nfs/dbraw/zinc/91/24/02/563912402.db2.gz PCFWEDGJBIIVLW-UHFFFAOYSA-N 0 0 300.745 4.253 50 0 DIAARN C[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC000089927279 563912425 /nfs/dbraw/zinc/91/24/25/563912425.db2.gz PBDLBYMFASZGIH-DTWKUNHWSA-N 0 0 320.742 4.062 50 0 DIAARN CCO[C@@H]1C[C@H](N(C)C(=O)CC2=CCCCC2)C12CCCC2 ZINC000170636785 563913705 /nfs/dbraw/zinc/91/37/05/563913705.db2.gz LKIJCCAINFLVIQ-DLBZAZTESA-N 0 0 305.462 4.073 50 0 DIAARN c1cc(Nc2ccnc(C3CC3)n2)cc(N2CCCCCC2)c1 ZINC000170637164 563913723 /nfs/dbraw/zinc/91/37/23/563913723.db2.gz WHSIFSOOPZSKAD-UHFFFAOYSA-N 0 0 308.429 4.478 50 0 DIAARN CC[C@H](Oc1ccccc1)c1nc(-c2cccc(OC)c2)no1 ZINC000007781520 563913901 /nfs/dbraw/zinc/91/39/01/563913901.db2.gz QNARMIBFCCFZJF-INIZCTEOSA-N 0 0 310.353 4.275 50 0 DIAARN CC(C)[C@@H](CCNC(=O)c1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000002098615 563913918 /nfs/dbraw/zinc/91/39/18/563913918.db2.gz MFCOUHMZEYYAKV-LSDHHAIUSA-N 0 0 323.502 4.345 50 0 biogenic DIAARN C[C@@H]1CCC[C@H](NC(=O)CSC/C=C/c2ccccc2)[C@H]1C ZINC000252452595 563915050 /nfs/dbraw/zinc/91/50/50/563915050.db2.gz QNPBJQMDZKYAIY-CBUONAHUSA-N 0 0 317.498 4.374 50 0 DIAARN O=c1oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 ZINC000002136830 563915420 /nfs/dbraw/zinc/91/54/20/563915420.db2.gz NFXINGCOLOPMQI-UHFFFAOYSA-N 0 0 310.393 4.310 50 0 biogenic DIAARN OC[C@H](CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000000395216 563915483 /nfs/dbraw/zinc/91/54/83/563915483.db2.gz WGBUYPUFZUPNQF-HNNXBMFYSA-N 0 0 304.393 4.358 50 0 in-vitro DIAARN O=C(c1cnc2sc3ccccc3n12)c1ccc(Cl)cc1 ZINC000000390179 563915488 /nfs/dbraw/zinc/91/54/88/563915488.db2.gz KRVHFRFRNSNHFQ-UHFFFAOYSA-N 0 0 312.781 4.433 50 0 DIAARN CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)cc1 ZINC000001096659 563915588 /nfs/dbraw/zinc/91/55/88/563915588.db2.gz OMDALYVWFCZQRV-UHFFFAOYSA-N 0 0 317.816 4.482 50 0 DIAARN COCc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000252484141 563915955 /nfs/dbraw/zinc/91/59/55/563915955.db2.gz FPTXJBJQUAFKRB-UHFFFAOYSA-N 0 0 308.740 4.270 50 0 DIAARN O=C(Nc1ccncc1F)N1CCCC2(CCCCC2)CC1 ZINC000252494031 563916224 /nfs/dbraw/zinc/91/62/24/563916224.db2.gz NIVHVHBHPKSGOJ-UHFFFAOYSA-N 0 0 305.397 4.189 50 0 DIAARN Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000252492890 563916266 /nfs/dbraw/zinc/91/62/66/563916266.db2.gz MWUAWQMAHCBXDV-UHFFFAOYSA-N 0 0 304.777 4.150 50 0 DIAARN CCN(C(=O)c1ccc2c(c1)nc(C(F)F)n2C)[C@H](C)C(C)C ZINC000252507862 563916410 /nfs/dbraw/zinc/91/64/10/563916410.db2.gz WVKABUAWWDHSOG-LLVKDONJSA-N 0 0 323.387 4.018 50 0 DIAARN CC(=O)c1c(F)cccc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000252517209 563916607 /nfs/dbraw/zinc/91/66/07/563916607.db2.gz BYKZATKQQYIETI-ZBEGNZNMSA-N 0 0 319.401 4.056 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1c2c(nc3ccccc31)CCC2 ZINC000007639113 563917564 /nfs/dbraw/zinc/91/75/64/563917564.db2.gz RXZNNGSROFZWSJ-UHFFFAOYSA-N 0 0 306.340 4.115 50 0 DIAARN CN(Cc1ccco1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000007643769 563917766 /nfs/dbraw/zinc/91/77/66/563917766.db2.gz BFRMBPGWENOEJR-UHFFFAOYSA-N 0 0 319.360 4.176 50 0 DIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1 ZINC000007706040 563917988 /nfs/dbraw/zinc/91/79/88/563917988.db2.gz FQFGSVUUGJFGSK-LLVKDONJSA-N 0 0 314.385 4.269 50 0 DIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccccc1 ZINC000007725397 563918222 /nfs/dbraw/zinc/91/82/22/563918222.db2.gz CEAHOVYLRFJSLN-UHFFFAOYSA-N 0 0 305.381 4.015 50 0 DIAARN Cc1cc(NC[C@H](c2ccccc2)[NH+](C)C)nc2ccccc12 ZINC000007735874 563918559 /nfs/dbraw/zinc/91/85/59/563918559.db2.gz AJLYMXUBVHRIBI-LJQANCHMSA-N 0 0 305.425 4.258 50 0 DIAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCCCCC1 ZINC000007754360 563918679 /nfs/dbraw/zinc/91/86/79/563918679.db2.gz GJRSUPWOFQOREY-UHFFFAOYSA-N 0 0 306.456 4.196 50 0 DIAARN CCOc1ccc(Oc2nc3cc(C)nn3c3ccccc32)cc1 ZINC000007737832 563918783 /nfs/dbraw/zinc/91/87/83/563918783.db2.gz VPCGWWWEGZWBHI-UHFFFAOYSA-N 0 0 319.364 4.382 50 0 DIAARN CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000007782222 563919234 /nfs/dbraw/zinc/91/92/34/563919234.db2.gz VLDZWPBXMHZEEG-OAHLLOKOSA-N 0 0 306.409 4.223 50 0 DIAARN Fc1cccc(-c2nc(-c3cccc(Br)c3)no2)c1 ZINC000007781118 563919306 /nfs/dbraw/zinc/91/93/06/563919306.db2.gz FROAXXJEFPJANF-UHFFFAOYSA-N 0 0 319.133 4.305 50 0 DIAARN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2)c(C)o1 ZINC000007782463 563919361 /nfs/dbraw/zinc/91/93/61/563919361.db2.gz HHJFYVFSVLVYCY-UHFFFAOYSA-N 0 0 309.365 4.332 50 0 DIAARN C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000007794318 563919442 /nfs/dbraw/zinc/91/94/42/563919442.db2.gz NSKOHECBBZMTND-GFCCVEGCSA-N 0 0 322.235 4.456 50 0 DIAARN O=C(COc1ccccc1)Nc1ccccc1SC(F)F ZINC000007793246 563919525 /nfs/dbraw/zinc/91/95/25/563919525.db2.gz GYBRSHKJAALUAD-UHFFFAOYSA-N 0 0 309.337 4.019 50 0 DIAARN C[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000007794315 563919540 /nfs/dbraw/zinc/91/95/40/563919540.db2.gz NSKOHECBBZMTND-LBPRGKRZSA-N 0 0 322.235 4.456 50 0 DIAARN CN(Cc1ccsc1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000007806219 563919627 /nfs/dbraw/zinc/91/96/27/563919627.db2.gz MEFWZOFRSWOTBJ-UHFFFAOYSA-N 0 0 319.817 4.084 50 0 DIAARN COc1ccc(C)cc1[C@H](C)Nc1cccc(C[S@@](C)=O)c1 ZINC000195552455 563919642 /nfs/dbraw/zinc/91/96/42/563919642.db2.gz FFQMDSAUTCKVOO-RCDICMHDSA-N 0 0 317.454 4.055 50 0 DIAARN C[S@@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000195553934 563919756 /nfs/dbraw/zinc/91/97/56/563919756.db2.gz DEOISGKJOUQSBW-WMZHIEFXSA-N 0 0 322.433 4.021 50 0 DIAARN Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 ZINC000195559077 563919771 /nfs/dbraw/zinc/91/97/71/563919771.db2.gz JYEZWNRBSFZXSL-HXUWFJFHSA-N 0 0 307.846 4.139 50 0 DIAARN C[C@@H](Sc1nccn1C1CC1)c1nc(-c2ccccc2)no1 ZINC000054783674 563920413 /nfs/dbraw/zinc/92/04/13/563920413.db2.gz LUHDYQSSTDREFI-LLVKDONJSA-N 0 0 312.398 4.121 50 0 DIAARN Cc1ccc(-n2c(SC(C)C)nc3ccccc3c2=O)cc1 ZINC000002268951 563920985 /nfs/dbraw/zinc/92/09/85/563920985.db2.gz BNUBQAKANAWNJA-UHFFFAOYSA-N 0 0 310.422 4.195 50 0 DIAARN COc1ccc([C@@H](NC(=O)c2ccc(F)cc2F)C(C)C)cc1 ZINC000007922891 563921021 /nfs/dbraw/zinc/92/10/21/563921021.db2.gz FSWAQXTZDDMHDQ-KRWDZBQOSA-N 0 0 319.351 4.101 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccsc1 ZINC000007926906 563921112 /nfs/dbraw/zinc/92/11/12/563921112.db2.gz WSMUPBYJDHGGBH-UHFFFAOYSA-N 0 0 316.470 4.250 50 0 DIAARN c1cc([C@@H]2CC(c3ccccn3)=NN2c2ccccc2)cs1 ZINC000019909987 563923620 /nfs/dbraw/zinc/92/36/20/563923620.db2.gz PRWGTGFRMAYHLA-SFHVURJKSA-N 0 0 305.406 4.499 50 0 DIAARN Cc1ccc(NC(=O)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000019891379 563923682 /nfs/dbraw/zinc/92/36/82/563923682.db2.gz AGIIZBXPMYTVFH-UHFFFAOYSA-N 0 0 304.349 4.110 50 0 DIAARN COC(=O)c1cccc2c3cc(Br)ccc3oc21 ZINC000019908923 563923693 /nfs/dbraw/zinc/92/36/93/563923693.db2.gz PWYVWGBVSHCYPA-UHFFFAOYSA-N 0 0 305.127 4.135 50 0 DIAARN COc1cccc2c1O[C@H](C(C)C)N1N=C(c3ccccc3)C[C@H]21 ZINC000025581559 563923730 /nfs/dbraw/zinc/92/37/30/563923730.db2.gz HMYJRLOFUIUWFT-YLJYHZDGSA-N 0 0 322.408 4.221 50 0 DIAARN Brc1ccc(C2=NCSc3ccccc3N2)cc1 ZINC000019799093 563923738 /nfs/dbraw/zinc/92/37/38/563923738.db2.gz CENQEOYIFWYKRG-UHFFFAOYSA-N 0 0 319.227 4.180 50 0 DIAARN CCc1ccccc1Nc1ncnc2c1ncn2-c1ccccc1 ZINC000019926118 563923757 /nfs/dbraw/zinc/92/37/57/563923757.db2.gz NMUARBMQNBJMES-UHFFFAOYSA-N 0 0 315.380 4.122 50 0 DIAARN CCC(=O)N1CCc2cc(-c3csc(-c4ccco4)n3)ccc21 ZINC000055049037 563926201 /nfs/dbraw/zinc/92/62/01/563926201.db2.gz CEGCFBADDQXTRL-UHFFFAOYSA-N 0 0 324.405 4.369 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013370724 563927505 /nfs/dbraw/zinc/92/75/05/563927505.db2.gz GCKMFJBGXUYNAG-MJUPKGCFSA-N 0 0 302.458 4.269 50 0 DIAARN COC(=O)[C@@H]1CC(/C=C\c2ccccc2)=N[C@@H]1c1ccccc1 ZINC000225354045 563927585 /nfs/dbraw/zinc/92/75/85/563927585.db2.gz OYLFMTAITWQLSG-QKXOAMIZSA-N 0 0 305.377 4.075 50 0 DIAARN Cc1nc2cc(NC(=O)N3CCC[C@@H]3c3ccco3)ccc2o1 ZINC000158139660 563928884 /nfs/dbraw/zinc/92/88/84/563928884.db2.gz GSDQVFTUFFDHOK-CQSZACIVSA-N 0 0 311.341 4.098 50 0 DIAARN Cc1cc(C)nc(Sc2nc(C)nc3c4ccccc4oc32)n1 ZINC000002454122 563929171 /nfs/dbraw/zinc/92/91/71/563929171.db2.gz CICQPJKIXQLROH-UHFFFAOYSA-N 0 0 322.393 4.242 50 0 DIAARN Cc1c2cc(F)ccc2oc1C(=O)NCc1ccccc1Cl ZINC000007952024 563929356 /nfs/dbraw/zinc/92/93/56/563929356.db2.gz PRWDHKRDYFELCD-UHFFFAOYSA-N 0 0 317.747 4.464 50 0 DIAARN CN(CC(=O)Nc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000013060676 563929385 /nfs/dbraw/zinc/92/93/85/563929385.db2.gz UMOYAVMMPYBDAA-UHFFFAOYSA-N 0 0 323.223 4.064 50 0 DIAARN CC(C)(C)[C@@H]1CCCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000078759392 563929908 /nfs/dbraw/zinc/92/99/08/563929908.db2.gz BIFSIJLYADAHJT-CYBMUJFWSA-N 0 0 317.399 4.094 50 0 DIAARN CC(C)Nc1cccc(CNC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000079072533 563930322 /nfs/dbraw/zinc/93/03/22/563930322.db2.gz MQWOTQNFUURDQK-FQEVSTJZSA-N 0 0 322.452 4.243 50 0 DIAARN O=C(CCc1ccccc1)Nc1ccc2[nH]c(C3CC3)nc2c1 ZINC000079498353 563930434 /nfs/dbraw/zinc/93/04/34/563930434.db2.gz ZONBKOIGFOWBBW-UHFFFAOYSA-N 0 0 305.381 4.012 50 0 DIAARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1 ZINC000079112288 563930493 /nfs/dbraw/zinc/93/04/93/563930493.db2.gz PCVMAMYJBRNRIM-MRXNPFEDSA-N 0 0 322.389 4.333 50 0 DIAARN Clc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000019881205 563930512 /nfs/dbraw/zinc/93/05/12/563930512.db2.gz MOJDOVILLUVRPK-UHFFFAOYSA-N 0 0 324.811 4.392 50 0 DIAARN CC(=O)N(c1nc(CSc2cccc(C)c2)cs1)C1CC1 ZINC000079350797 563930548 /nfs/dbraw/zinc/93/05/48/563930548.db2.gz BJFYWANYNWLOQH-UHFFFAOYSA-N 0 0 318.467 4.259 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)s1 ZINC000079493385 563930550 /nfs/dbraw/zinc/93/05/50/563930550.db2.gz FMKMFEXRIRJFCI-UHFFFAOYSA-N 0 0 314.414 4.012 50 0 DIAARN O=C(NCCCc1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000390828967 563930679 /nfs/dbraw/zinc/93/06/79/563930679.db2.gz CLSNZZIWXIVFTQ-UHFFFAOYSA-N 0 0 313.784 4.449 50 0 DIAARN O=C(NCc1nc(C2CCCCC2)cs1)c1cccs1 ZINC000390829616 563930690 /nfs/dbraw/zinc/93/06/90/563930690.db2.gz FKKFWSKMSUJKGP-UHFFFAOYSA-N 0 0 306.456 4.182 50 0 DIAARN CC[C@H](C(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1 ZINC000390829355 563930816 /nfs/dbraw/zinc/93/08/16/563930816.db2.gz DTZQYGDRFSLTOT-SFHVURJKSA-N 0 0 320.392 4.152 50 0 DIAARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000095116829 563930967 /nfs/dbraw/zinc/93/09/67/563930967.db2.gz FGXRMHKOYLCDOF-OAHLLOKOSA-N 0 0 322.389 4.333 50 0 DIAARN Cc1sc2ncnc(N[C@@H](C)c3nc4ccccc4[nH]3)c2c1C ZINC000095348624 563931080 /nfs/dbraw/zinc/93/10/80/563931080.db2.gz WEFQCXFYCLXEBT-JTQLQIEISA-N 0 0 323.425 4.358 50 0 DIAARN Cc1nc(N)sc1-c1ccnc(C2(C(F)(F)F)CCC2)c1 ZINC000095629718 563931751 /nfs/dbraw/zinc/93/17/51/563931751.db2.gz HKHLFUDDSOUCIZ-UHFFFAOYSA-N 0 0 313.348 4.080 50 0 DIAARN C[C@@H](Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)nc1 ZINC000095940748 563931934 /nfs/dbraw/zinc/93/19/34/563931934.db2.gz UBVVQNVTOPIUFP-CYBMUJFWSA-N 0 0 312.804 4.153 50 0 DIAARN NC(=S)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000095929428 563931979 /nfs/dbraw/zinc/93/19/79/563931979.db2.gz LEMVAUBCSCYVMI-UHFFFAOYSA-N 0 0 312.316 4.153 50 0 DIAARN Cc1nc2cc(CSc3nncc4ccccc43)ccc2[nH]1 ZINC000095941666 563932005 /nfs/dbraw/zinc/93/20/05/563932005.db2.gz FMTDZUZHBZEWHJ-UHFFFAOYSA-N 0 0 306.394 4.107 50 0 DIAARN O=C(O[C@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC=CCC1 ZINC000095947922 563932150 /nfs/dbraw/zinc/93/21/50/563932150.db2.gz DYPHUOIRNXXCII-KBXCAEBGSA-N 0 0 311.356 4.210 50 0 DIAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1c(F)cc(F)cc1F ZINC000095964189 563932692 /nfs/dbraw/zinc/93/26/92/563932692.db2.gz XDRBROUNSWLTBU-AWEZNQCLSA-N 0 0 323.314 4.208 50 0 DIAARN CC(=O)Nc1ccc(C)cc1NCc1coc(-c2ccccc2)n1 ZINC000095974975 563933615 /nfs/dbraw/zinc/93/36/15/563933615.db2.gz MXYSXKQIOXCXBD-UHFFFAOYSA-N 0 0 321.380 4.221 50 0 DIAARN Cc1ccc(-c2noc([C@H](C)S[C@@H]3CCO[C@@H]3C)n2)cc1F ZINC000095974102 563933688 /nfs/dbraw/zinc/93/36/88/563933688.db2.gz ZTHJVPNRICDCGC-UHIISALHSA-N 0 0 322.405 4.156 50 0 DIAARN CC(=O)c1csc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000095973283 563933747 /nfs/dbraw/zinc/93/37/47/563933747.db2.gz ICDWDSFDQXDPQG-BZNIZROVSA-N 0 0 313.422 4.319 50 0 DIAARN CC(C)C[C@@H]1C[C@@H](Nc2ncccc2C(F)(F)F)CCO1 ZINC000095990651 563934092 /nfs/dbraw/zinc/93/40/92/563934092.db2.gz TUGJGASTIVRGHQ-NWDGAFQWSA-N 0 0 302.340 4.106 50 0 DIAARN Fc1ccc([C@@H](NC2CCCCCCC2)c2ncon2)cc1F ZINC000095988504 563934189 /nfs/dbraw/zinc/93/41/89/563934189.db2.gz TUZAUBAKZAVGGS-MRXNPFEDSA-N 0 0 321.371 4.140 50 0 DIAARN CC(C)(C)[C@H](NCc1nnc(C2CC2)o1)c1ccc(F)cc1F ZINC000095985931 563934220 /nfs/dbraw/zinc/93/42/20/563934220.db2.gz DPTQIGFCLHOVCT-OAHLLOKOSA-N 0 0 321.371 4.102 50 0 DIAARN CC(C)c1nnc(CN[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000095985436 563934222 /nfs/dbraw/zinc/93/42/22/563934222.db2.gz PECXSDOJGKGCFH-JTQLQIEISA-N 0 0 313.323 4.063 50 0 DIAARN C[C@@H]1CC(C)(C)c2ccccc2N1Cc1nccn1C(F)F ZINC000096002343 563934751 /nfs/dbraw/zinc/93/47/51/563934751.db2.gz LYQBEAGSZUJGPM-GFCCVEGCSA-N 0 0 305.372 4.355 50 0 DIAARN O=C(Nc1cccc2cnccc21)c1cc(Cl)ccc1F ZINC000021218993 563934940 /nfs/dbraw/zinc/93/49/40/563934940.db2.gz GFRVJEFVYCXIAV-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN CC/C(=C\C(=O)NCc1cccc(OC)c1)c1ccc(C)cc1 ZINC000096035175 563935299 /nfs/dbraw/zinc/93/52/99/563935299.db2.gz IUDSNPUUQRQAKG-GHRIWEEISA-N 0 0 309.409 4.113 50 0 DIAARN O=C(/C=C/c1ccoc1)N(Cc1ccsc1)Cc1ccco1 ZINC000096120264 563935482 /nfs/dbraw/zinc/93/54/82/563935482.db2.gz FKAAVJGRQAASOK-ONEGZZNKSA-N 0 0 313.378 4.176 50 0 DIAARN CCC[C@]1(CCNC(=O)Cc2ccccc2)CCOC(C)(C)C1 ZINC000096116037 563935519 /nfs/dbraw/zinc/93/55/19/563935519.db2.gz GWHQTZWSVXHIJY-FQEVSTJZSA-N 0 0 317.473 4.111 50 0 biogenic DIAARN O=C(CCc1ccccc1F)N1CCC(c2ccsc2)CC1 ZINC000096120615 563935613 /nfs/dbraw/zinc/93/56/13/563935613.db2.gz LKYMWGYEOOFQIM-UHFFFAOYSA-N 0 0 317.429 4.226 50 0 DIAARN c1sc(NCc2ccccc2)nc1-c1ccc2nsnc2c1 ZINC000096124476 563935663 /nfs/dbraw/zinc/93/56/63/563935663.db2.gz KREONJOSJIBQHY-UHFFFAOYSA-N 0 0 324.434 4.427 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)Nc2nc(C3CC3)cs2)o1 ZINC000096157977 563935827 /nfs/dbraw/zinc/93/58/27/563935827.db2.gz PUPQXHSAPMVSTR-BJCHJDTNSA-N 0 0 314.410 4.389 50 0 DIAARN Cc1csc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000007968944 563936396 /nfs/dbraw/zinc/93/63/96/563936396.db2.gz KOXXJBZZVATNHN-CYBMUJFWSA-N 0 0 308.834 4.483 50 0 DIAARN O=S(=O)(/C=C\c1ccccc1)Nc1cccc2ccccc21 ZINC000096401275 563936642 /nfs/dbraw/zinc/93/66/42/563936642.db2.gz BZASMOABSJHJDA-YPKPFQOOSA-N 0 0 309.390 4.252 50 0 DIAARN CC(C)c1nnc(COc2ccc(Cl)c3c2C(=O)C[C@H]3C)o1 ZINC000096403348 563936644 /nfs/dbraw/zinc/93/66/44/563936644.db2.gz FJRSMQGUBOICPS-SECBINFHSA-N 0 0 320.776 4.115 50 0 DIAARN c1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1 ZINC000096407714 563936771 /nfs/dbraw/zinc/93/67/71/563936771.db2.gz NUIVQALTDJMDIV-UHFFFAOYSA-N 0 0 305.472 4.036 50 0 DIAARN CCc1ccc([C@@H]2CCCN2C(=O)CCc2ccsc2)o1 ZINC000096409938 563936817 /nfs/dbraw/zinc/93/68/17/563936817.db2.gz WABQQSIPNJRYKL-HNNXBMFYSA-N 0 0 303.427 4.200 50 0 DIAARN CC(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2C)c1 ZINC000096475321 563937118 /nfs/dbraw/zinc/93/71/18/563937118.db2.gz WSRINZSNISRWRG-UHFFFAOYSA-N 0 0 305.736 4.242 50 0 DIAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1cscn1 ZINC000096482941 563937360 /nfs/dbraw/zinc/93/73/60/563937360.db2.gz KCQDURWVLHCXKJ-UHFFFAOYSA-N 0 0 319.430 4.411 50 0 DIAARN Cc1cc2cccnc2c(N[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000097038501 563937638 /nfs/dbraw/zinc/93/76/38/563937638.db2.gz DAYKRWNQNOTUMP-LFVRLGFBSA-N 0 0 324.449 4.454 50 0 DIAARN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000055487801 563938277 /nfs/dbraw/zinc/93/82/77/563938277.db2.gz DGODBOKHKOYCBK-LJQANCHMSA-N 0 0 318.420 4.405 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(F)cc2Br)c1C ZINC000008060305 563946466 /nfs/dbraw/zinc/94/64/66/563946466.db2.gz AWHTWXCQJIJQKO-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN O=C(c1ccc(F)c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000028210427 563938897 /nfs/dbraw/zinc/93/88/97/563938897.db2.gz GCAJREBJKXMOKP-UHFFFAOYSA-N 0 0 315.363 4.060 50 0 DIAARN O=C(Nc1cc(-c2ccccc2)[nH]n1)c1c(F)cccc1Cl ZINC000028243275 563939217 /nfs/dbraw/zinc/93/92/17/563939217.db2.gz SBHWDUGKTMTZPK-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN CC(C)(C)NC(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000002616626 563939635 /nfs/dbraw/zinc/93/96/35/563939635.db2.gz MTSHUTAIMUKGMN-UHFFFAOYSA-N 0 0 310.422 4.492 50 0 DIAARN O=c1nc(-c2ccc(O)cc2)[nH]c2scc(-c3ccccc3)c21 ZINC000002633426 563939700 /nfs/dbraw/zinc/93/97/00/563939700.db2.gz VAIYQNCQDWBQOE-UHFFFAOYSA-N 0 0 320.373 4.024 50 0 DIAARN Cc1ccc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2c1 ZINC000002627973 563939811 /nfs/dbraw/zinc/93/98/11/563939811.db2.gz MIPNZJZYTFBLOG-UHFFFAOYSA-N 0 0 321.405 4.267 50 0 DIAARN O=C(NCc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000002638843 563939873 /nfs/dbraw/zinc/93/98/73/563939873.db2.gz JILIUZPPXVQBRU-UHFFFAOYSA-N 0 0 313.706 4.289 50 0 DIAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCC1 ZINC000002637238 563939932 /nfs/dbraw/zinc/93/99/32/563939932.db2.gz ORMXBBUAIYWMFA-UHFFFAOYSA-N 0 0 302.462 4.358 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1OC ZINC000002635869 563939945 /nfs/dbraw/zinc/93/99/45/563939945.db2.gz XBJCEEBLYHUYQC-UHFFFAOYSA-N 0 0 313.397 4.254 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cs1 ZINC000002647507 563940051 /nfs/dbraw/zinc/94/00/51/563940051.db2.gz CRJSJMPGXGTTNU-UHFFFAOYSA-N 0 0 308.406 4.300 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1cnc(Cl)c(Cl)c1 ZINC000002653203 563940059 /nfs/dbraw/zinc/94/00/59/563940059.db2.gz AFFPOPBALICLBX-UHFFFAOYSA-N 0 0 307.180 4.129 50 0 DIAARN CCN(C(=O)c1ccc(F)cc1)c1nc2c(cccc2C)s1 ZINC000002651097 563940145 /nfs/dbraw/zinc/94/01/45/563940145.db2.gz KRNVFGQOZXCWEG-UHFFFAOYSA-N 0 0 314.385 4.411 50 0 DIAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1C ZINC000002654891 563940293 /nfs/dbraw/zinc/94/02/93/563940293.db2.gz QWXMFSDTCRIHOG-UHFFFAOYSA-N 0 0 309.365 4.448 50 0 DIAARN CCC(CC)NC(=O)c1oc2ccc(Br)cc2c1C ZINC000002726277 563940355 /nfs/dbraw/zinc/94/03/55/563940355.db2.gz YJUFDRHUDQJUNQ-UHFFFAOYSA-N 0 0 324.218 4.422 50 0 DIAARN CCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000002721257 563940409 /nfs/dbraw/zinc/94/04/09/563940409.db2.gz YADUTCVFNGQLOR-UHFFFAOYSA-N 0 0 321.424 4.075 50 0 DIAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002750152 563940629 /nfs/dbraw/zinc/94/06/29/563940629.db2.gz PDYJEIDEPSKHKB-OAHLLOKOSA-N 0 0 322.880 4.205 50 0 DIAARN CCc1ccc(C(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000002873474 563941034 /nfs/dbraw/zinc/94/10/34/563941034.db2.gz XEMJXCSLRGVTDQ-UHFFFAOYSA-N 0 0 323.421 4.009 50 0 DIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(C)c1C ZINC000002908271 563941066 /nfs/dbraw/zinc/94/10/66/563941066.db2.gz OHOURYAQHASQKN-KRWDZBQOSA-N 0 0 311.429 4.412 50 0 DIAARN CCOc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000002887369 563941145 /nfs/dbraw/zinc/94/11/45/563941145.db2.gz WTGZJQZUAZUYTM-UHFFFAOYSA-N 0 0 319.401 4.096 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Cl)s1 ZINC000029170507 563941311 /nfs/dbraw/zinc/94/13/11/563941311.db2.gz KYKBZMKPWCCJCB-UHFFFAOYSA-N 0 0 318.829 4.132 50 0 DIAARN Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000029515437 563941324 /nfs/dbraw/zinc/94/13/24/563941324.db2.gz UDOKTPALCQSFLA-STQMWFEESA-N 0 0 314.454 4.237 50 0 DIAARN C/C=C/C=C\C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000226975569 563941337 /nfs/dbraw/zinc/94/13/37/563941337.db2.gz SDBGGTLKEOZNDR-SZTIJVIYSA-N 0 0 312.438 4.135 50 0 DIAARN CCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003036418 563941728 /nfs/dbraw/zinc/94/17/28/563941728.db2.gz PPCAZUKWAYGQDD-UHFFFAOYSA-N 0 0 304.393 4.432 50 0 DIAARN Cc1nc2c(s1)[C@H]([N@@H+](C)CCO[C@H]1CCCC[C@H]1C)CCC2 ZINC000230210234 563942048 /nfs/dbraw/zinc/94/20/48/563942048.db2.gz LLVBLQHSAUHJHY-XYPHTWIQSA-N 0 0 322.518 4.356 50 0 DIAARN Cc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)cc1 ZINC000003133763 563942231 /nfs/dbraw/zinc/94/22/31/563942231.db2.gz MQSVELGCRZRYNB-UHFFFAOYSA-N 0 0 317.314 4.449 50 0 DIAARN Cc1ccc(Cn2ccc(=O)c(OCc3ccccc3)c2C)cc1 ZINC000003128603 563942315 /nfs/dbraw/zinc/94/23/15/563942315.db2.gz ZEHUVZVGWJFFPC-UHFFFAOYSA-N 0 0 319.404 4.092 50 0 DIAARN COc1ccc(NC(=O)c2ccc(F)c(F)c2)c2ccccc12 ZINC000003164638 563942433 /nfs/dbraw/zinc/94/24/33/563942433.db2.gz GHPDRZZDRJAJCM-UHFFFAOYSA-N 0 0 313.303 4.379 50 0 DIAARN O=C(COC(=O)c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000003280007 563943440 /nfs/dbraw/zinc/94/34/40/563943440.db2.gz VVLVMWKYIFXAOS-UHFFFAOYSA-N 0 0 315.177 4.095 50 0 DIAARN O=C(Nc1cccc2ccccc21)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000003172280 563942604 /nfs/dbraw/zinc/94/26/04/563942604.db2.gz MDPHDBNWOHKZDF-XYPWUTKMSA-N 0 0 307.393 4.174 50 0 DIAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000003191637 563942624 /nfs/dbraw/zinc/94/26/24/563942624.db2.gz WVJIXLNZIMOQCA-DYVFJYSZSA-N 0 0 307.397 4.080 50 0 DIAARN Cc1ccc(C(NC(=O)N2CCCC2)=C(Cl)Cl)cc1F ZINC000003188194 563942642 /nfs/dbraw/zinc/94/26/42/563942642.db2.gz DZDODQGEKSZLJY-UHFFFAOYSA-N 0 0 317.191 4.043 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003182124 563942711 /nfs/dbraw/zinc/94/27/11/563942711.db2.gz JVXNTQCPRHMAPS-UHFFFAOYSA-N 0 0 319.335 4.309 50 0 DIAARN CC(C)CCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003215313 563942840 /nfs/dbraw/zinc/94/28/40/563942840.db2.gz UHFRTKPULNROCN-UHFFFAOYSA-N 0 0 308.381 4.271 50 0 DIAARN CCOc1ccccc1NC(=O)CSc1ccccc1Cl ZINC000003219297 563942956 /nfs/dbraw/zinc/94/29/56/563942956.db2.gz ITISGUUQNZHVSI-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN CCCCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 ZINC000003235846 563942994 /nfs/dbraw/zinc/94/29/94/563942994.db2.gz ZTMGXQHZMMFMFB-UHFFFAOYSA-N 0 0 317.429 4.091 50 0 DIAARN CC(C)c1ccccc1NC(=S)NC(=O)C1CCCCC1 ZINC000003245002 563943081 /nfs/dbraw/zinc/94/30/81/563943081.db2.gz MWGVXEBGYOKYEX-UHFFFAOYSA-N 0 0 304.459 4.203 50 0 DIAARN O=C1N[C@@H](c2ccc(Oc3ccccc3)cc2)Nc2ccccc21 ZINC000003241083 563943109 /nfs/dbraw/zinc/94/31/09/563943109.db2.gz IGZBXTSDZBGWQI-IBGZPJMESA-N 0 0 316.360 4.333 50 0 DIAARN CC(=O)c1sc(NC(=O)C2CCCC2)nc1-c1ccccc1 ZINC000003236141 563943138 /nfs/dbraw/zinc/94/31/38/563943138.db2.gz ILWQEHHROZMAJS-UHFFFAOYSA-N 0 0 314.410 4.141 50 0 DIAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1 ZINC000003246954 563943177 /nfs/dbraw/zinc/94/31/77/563943177.db2.gz HRLRUOUDTOYBHN-UHFFFAOYSA-N 0 0 322.124 4.207 50 0 DIAARN CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc(F)cc2)CC1 ZINC000003239742 563943193 /nfs/dbraw/zinc/94/31/93/563943193.db2.gz QMGXPYHZBCDBNM-UHFFFAOYSA-N 0 0 320.404 4.404 50 0 DIAARN Cc1ccccc1Nc1[nH]nc(N)c1-c1nc2ccccc2s1 ZINC000003236894 563943213 /nfs/dbraw/zinc/94/32/13/563943213.db2.gz UXWROARGUAVYGM-UHFFFAOYSA-N 0 0 321.409 4.321 50 0 DIAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OC(F)F ZINC000003362693 563943763 /nfs/dbraw/zinc/94/37/63/563943763.db2.gz HPVAXLFXGQDDKM-OAHLLOKOSA-N 0 0 317.335 4.095 50 0 DIAARN CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000003396797 563944012 /nfs/dbraw/zinc/94/40/12/563944012.db2.gz ZILOZUYDNJITAD-UHFFFAOYSA-N 0 0 311.381 4.030 50 0 DIAARN Cc1ccccc1CCNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000031035605 563944135 /nfs/dbraw/zinc/94/41/35/563944135.db2.gz GLGMVIIBILHDDX-UHFFFAOYSA-N 0 0 320.436 4.036 50 0 DIAARN Cc1ccc([C@H]2CCCN2C(=O)NCCc2ccccc2)cc1 ZINC000031038385 563944186 /nfs/dbraw/zinc/94/41/86/563944186.db2.gz VRJMQDGLCJTKFA-LJQANCHMSA-N 0 0 308.425 4.084 50 0 DIAARN Cc1cccc(NC(=O)N(C)CCCOc2ccc(F)cc2)c1 ZINC000031098867 563944234 /nfs/dbraw/zinc/94/42/34/563944234.db2.gz DCXYUOMVLKUYHJ-UHFFFAOYSA-N 0 0 316.376 4.067 50 0 DIAARN CSc1ccc([C@@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000031693503 563944810 /nfs/dbraw/zinc/94/48/10/563944810.db2.gz PQJMMSMHDJIGSC-RNCFNFMXSA-N 0 0 318.269 4.170 50 0 DIAARN C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000031880867 563944924 /nfs/dbraw/zinc/94/49/24/563944924.db2.gz ROADHYKXHSARAJ-NSHDSACASA-N 0 0 323.770 4.428 50 0 DIAARN Cc1nc(NC(=O)Cc2cccs2)sc1-c1ccccc1 ZINC000031968406 563945088 /nfs/dbraw/zinc/94/50/88/563945088.db2.gz AYTNWBOELGLCRZ-UHFFFAOYSA-N 0 0 314.435 4.361 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004073944 563945100 /nfs/dbraw/zinc/94/51/00/563945100.db2.gz QGKQXZFZOIQFBI-NTIOTCMSSA-N 0 0 306.490 4.141 50 0 biogenic DIAARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CCO1 ZINC000004082447 563945139 /nfs/dbraw/zinc/94/51/39/563945139.db2.gz KIQVNALXPHVLAB-XVMXLUHGSA-N 0 0 300.442 4.287 50 0 biogenic DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004081582 563945176 /nfs/dbraw/zinc/94/51/76/563945176.db2.gz JRNSSSJKIGAFCT-DXFHCHAVSA-N 0 0 302.458 4.125 50 0 biogenic DIAARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]43)[C@@H]1CC[C@@]21CCO1 ZINC000004082451 563945212 /nfs/dbraw/zinc/94/52/12/563945212.db2.gz KIQVNALXPHVLAB-QONVVCGCSA-N 0 0 300.442 4.287 50 0 biogenic DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NCCc2cccc3cccnc32)C1(C)C ZINC000032076163 563945367 /nfs/dbraw/zinc/94/53/67/563945367.db2.gz WGKRKUILWWALSA-QZTJIDSGSA-N 0 0 322.452 4.132 50 0 DIAARN Clc1cc(Cl)cc(-c2nn3c(nnc3C3CC3)s2)c1 ZINC000032093435 563945370 /nfs/dbraw/zinc/94/53/70/563945370.db2.gz CWOLURZFNSLDBV-UHFFFAOYSA-N 0 0 311.197 4.037 50 0 DIAARN O=C(Oc1ccc2c(c1)onc2-c1ccccc1)c1ccco1 ZINC000032094636 563945372 /nfs/dbraw/zinc/94/53/72/563945372.db2.gz VICJHUNUVOJZFT-UHFFFAOYSA-N 0 0 305.289 4.307 50 0 DIAARN Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)o1 ZINC000032341536 563945486 /nfs/dbraw/zinc/94/54/86/563945486.db2.gz FEMPESOISNVSOX-NSHDSACASA-N 0 0 300.383 4.031 50 0 DIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)c[nH]1 ZINC000032341962 563945569 /nfs/dbraw/zinc/94/55/69/563945569.db2.gz CLAHWVHGCMTUJN-VIFPVBQESA-N 0 0 319.817 4.111 50 0 DIAARN Cc1nc(CSCCC(=O)Nc2cc(C)ccc2F)cs1 ZINC000032450203 563945776 /nfs/dbraw/zinc/94/57/76/563945776.db2.gz ZHAZJJKUAUZXTO-UHFFFAOYSA-N 0 0 324.446 4.161 50 0 DIAARN CC(C)[C@@H](NC(=O)CCOc1cccc(F)c1)c1cccs1 ZINC000032421888 563945793 /nfs/dbraw/zinc/94/57/93/563945793.db2.gz VSENUIGLSMKZHY-QGZVFWFLSA-N 0 0 321.417 4.170 50 0 DIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000263433232 563945909 /nfs/dbraw/zinc/94/59/09/563945909.db2.gz SWQZOINEPAMWLN-RTBURBONSA-N 0 0 309.409 4.153 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000007990386 563946097 /nfs/dbraw/zinc/94/60/97/563946097.db2.gz TYNRJYZRCJZIAU-SFHVURJKSA-N 0 0 305.377 4.302 50 0 DIAARN C[C@]1(c2ccccc2)CCC[N@H+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263442887 563946313 /nfs/dbraw/zinc/94/63/13/563946313.db2.gz XBJOJBDYMQHSPM-NRFANRHFSA-N 0 0 323.436 4.329 50 0 DIAARN CC(C)OCc1ccc(C(=O)Nc2cccc3ncccc32)cc1 ZINC000008040056 563946336 /nfs/dbraw/zinc/94/63/36/563946336.db2.gz AAMFRDAZAJVDBE-UHFFFAOYSA-N 0 0 320.392 4.412 50 0 DIAARN COc1ccccc1CNC(=O)c1ccccc1SC(C)C ZINC000008041111 563946340 /nfs/dbraw/zinc/94/63/40/563946340.db2.gz YSXMNGCMCRSPLU-UHFFFAOYSA-N 0 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ZINC000952982278 1051126738 /nfs/dbraw/zinc/12/67/38/1051126738.db2.gz PHKVVLWKAYQXFX-QGZVFWFLSA-N 0 0 323.436 4.209 50 0 DIAARN O=C(CCC1CCCC1)N1CC[C@@H](CCOc2ccccc2)C1 ZINC000581788209 1051312848 /nfs/dbraw/zinc/31/28/48/1051312848.db2.gz CDORNVWJJQQOMN-SFHVURJKSA-N 0 0 315.457 4.274 50 0 DIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)CC3CCCC3)C2)cc1 ZINC000581788925 1051316241 /nfs/dbraw/zinc/31/62/41/1051316241.db2.gz BWIWOHKNOWDUSK-GOSISDBHSA-N 0 0 315.457 4.193 50 0 DIAARN O=C(Nc1ccccc1)c1c2ccccc2nc2c1CCCC2 ZINC000000264450 1051785799 /nfs/dbraw/zinc/78/57/99/1051785799.db2.gz TVWTWPJDLJNYRB-UHFFFAOYSA-N 0 0 302.377 4.366 50 0 DIAARN O=C(/C=C/c1cccnc1)N[C@@H](c1cccs1)C1CCCC1 ZINC000031803608 1051866850 /nfs/dbraw/zinc/86/68/50/1051866850.db2.gz OIQKVLWAMNNOGX-QZEKMECESA-N 0 0 312.438 4.204 50 0 DIAARN FC(F)(F)c1cccc(OCCCSc2ncccn2)c1 ZINC000002844267 1052282420 /nfs/dbraw/zinc/28/24/20/1052282420.db2.gz UVZFAGFUSKKXOX-UHFFFAOYSA-N 0 0 314.332 4.057 50 0 DIAARN CC(C)c1nc(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)cs1 ZINC000252550675 1052626954 /nfs/dbraw/zinc/62/69/54/1052626954.db2.gz SXHPDTBWEXKWKM-HIFRSBDPSA-N 0 0 306.475 4.451 50 0 DIAARN Cc1c(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)cnn1CC(C)C ZINC000252571015 1052627920 /nfs/dbraw/zinc/62/79/20/1052627920.db2.gz XOFLJDLQCLNHCE-FUHWJXTLSA-N 0 0 317.477 4.032 50 0 DIAARN O=C1Nc2ccccc2/C1=C\c1ccc(Br)s1 ZINC000033034267 1052654421 /nfs/dbraw/zinc/65/44/21/1052654421.db2.gz HBHNVADIVTWLTP-JXMROGBWSA-N 0 0 306.184 4.003 50 0 DIAARN COc1ccc(OC)c(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000033329218 1052728399 /nfs/dbraw/zinc/72/83/99/1052728399.db2.gz NWYZJGZDVZCBQS-YFHOEESVSA-N 0 0 317.772 4.009 50 0 DIAARN CCOc1ccc(NC(=O)/C=C\c2cccs2)cc1OCC ZINC000033405605 1052760326 /nfs/dbraw/zinc/76/03/26/1052760326.db2.gz JRDPKNJOIVRYMK-NTMALXAHSA-N 0 0 317.410 4.197 50 0 DIAARN COc1ccccc1-n1cnnc1SC/C=C\c1ccccc1 ZINC000033476374 1052781021 /nfs/dbraw/zinc/78/10/21/1052781021.db2.gz MMOVAWYKZWUEBY-YFHOEESVSA-N 0 0 323.421 4.081 50 0 DIAARN c1sc(C2CCCC2)nc1CN1CCC2(CCOCC2)CC1 ZINC000367068827 1052835848 /nfs/dbraw/zinc/83/58/48/1052835848.db2.gz RQKAQSKEWBQLAP-UHFFFAOYSA-N 0 0 320.502 4.193 50 0 DIAARN O=C(/C=C/c1ccco1)O[C@@H](c1ccccc1)c1ccncc1 ZINC000068284174 1053036496 /nfs/dbraw/zinc/03/64/96/1053036496.db2.gz WVIWZXNUIUSBCY-SGQUHAKNSA-N 0 0 305.333 4.021 50 0 DIAARN Fc1cccc(-c2nc(CN(Cc3ccccn3)C3CC3)co2)c1 ZINC000180871246 1053100506 /nfs/dbraw/zinc/10/05/06/1053100506.db2.gz QESORTMANMUVLO-UHFFFAOYSA-N 0 0 323.371 4.040 50 0 DIAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886333 1053138135 /nfs/dbraw/zinc/13/81/35/1053138135.db2.gz JTJAYVQZHCTXOF-LJQANCHMSA-N 0 0 322.408 4.204 50 0 DIAARN CCCOc1ccccc1N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000182098267 1053346523 /nfs/dbraw/zinc/34/65/23/1053346523.db2.gz QPULRUGCRBDQFK-HNNXBMFYSA-N 0 0 322.412 4.229 50 0 DIAARN Cc1ccc2c(ccc(C)c2NC(=O)CCc2ccccc2)n1 ZINC000198778177 1053693966 /nfs/dbraw/zinc/69/39/66/1053693966.db2.gz XEBYCWIFESCKTI-UHFFFAOYSA-N 0 0 304.393 4.423 50 0 DIAARN C[C@@H](c1ccccn1)N(C)Cc1cc(C(F)(F)F)ccc1F ZINC000183678910 1055053880 /nfs/dbraw/zinc/05/38/80/1055053880.db2.gz MYQURPIWVQRMSV-NSHDSACASA-N 0 0 312.310 4.433 50 0 DIAARN C[C@@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000004370124 1055687450 /nfs/dbraw/zinc/68/74/50/1055687450.db2.gz BRQAXEKVGOTNJM-FGSPNWDHSA-N 0 0 300.442 4.045 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003881346 1056011181 /nfs/dbraw/zinc/01/11/81/1056011181.db2.gz WRWBCPJQPDHXTJ-MKOCOSAPSA-N 0 0 304.474 4.061 50 0 biogenic DIAARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000012652879 1056416489 /nfs/dbraw/zinc/41/64/89/1056416489.db2.gz TTWYUPSVWLOIRF-GTYQWKCWSA-N 0 0 316.441 4.060 50 0 biogenic DIAARN Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)[C@@H](C)CCC3 ZINC000002362046 1056540851 /nfs/dbraw/zinc/54/08/51/1056540851.db2.gz FCOLWRCXKXFTIY-VIFPVBQESA-N 0 0 324.409 4.347 50 0 DIAARN COc1ccc(-c2nc(CN(C)Cc3ccccc3)c(C)o2)cc1 ZINC000011934395 1056874307 /nfs/dbraw/zinc/87/43/07/1056874307.db2.gz PJGRRMBKVDOZLW-UHFFFAOYSA-N 0 0 322.408 4.291 50 0 DIAARN Cc1ccsc1C(=O)[C@H]1CCCN(C/C=C/c2ccco2)C1 ZINC000012197922 1056983973 /nfs/dbraw/zinc/98/39/73/1056983973.db2.gz PISAIEFDMSGNQC-VFQAQYNWSA-N 0 0 315.438 4.258 50 0 DIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)[C@H](C)c1ccon1 ZINC000012208508 1056992171 /nfs/dbraw/zinc/99/21/71/1056992171.db2.gz VCEBMVZKQCZQGT-CYBMUJFWSA-N 0 0 312.369 4.179 50 0 DIAARN C[C@@H]1CCC[C@H](C)N1Cc1nc(Cc2ccccc2Cl)no1 ZINC000012315786 1057020949 /nfs/dbraw/zinc/02/09/49/1057020949.db2.gz NVSZLKCQPCNLJZ-BETUJISGSA-N 0 0 319.836 4.077 50 0 DIAARN O=C(NC[C@H](c1ccsc1)c1ccco1)Nc1cccs1 ZINC000618256881 1057638907 /nfs/dbraw/zinc/63/89/07/1057638907.db2.gz NFZVRBTYNCXKML-GFCCVEGCSA-N 0 0 318.423 4.356 50 0 DIAARN CCCCC(=O)Nc1ccc(NC(=O)C2CCC2)cc1Cl ZINC000822815986 1057812253 /nfs/dbraw/zinc/81/22/53/1057812253.db2.gz PQEDHAYNOXICGI-UHFFFAOYSA-N 0 0 308.809 4.207 50 0 DIAARN CCOc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000823383222 1057828277 /nfs/dbraw/zinc/82/82/77/1057828277.db2.gz JMHUIFUFTSTETP-QGZVFWFLSA-N 0 0 316.832 4.471 50 0 DIAARN Cc1cc(NC(=O)c2ccc(Cl)s2)n([C@@H](C)C2CC2)n1 ZINC001529195640 1058637092 /nfs/dbraw/zinc/63/70/92/1058637092.db2.gz MKHOWXHWQXWLLA-VIFPVBQESA-N 0 0 309.822 4.130 50 0 DIAARN CCO[C@H](C)c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1 ZINC001506417170 1063506831 /nfs/dbraw/zinc/50/68/31/1063506831.db2.gz OHXHGKDFWLFNPF-CQSZACIVSA-N 0 0 309.409 4.343 50 0 DIAARN CC(C)Nc1ccccc1C(=O)N(C)[C@H](c1ccccn1)C1CC1 ZINC001506416795 1063506847 /nfs/dbraw/zinc/50/68/47/1063506847.db2.gz MEGSERQZCJBFEZ-IBGZPJMESA-N 0 0 323.440 4.125 50 0 DIAARN CC(C)Cc1cc(CNCc2cccc(C(F)(F)F)c2)on1 ZINC001506397217 1063508876 /nfs/dbraw/zinc/50/88/76/1063508876.db2.gz JNFRYEAHJCBVEB-UHFFFAOYSA-N 0 0 312.335 4.182 50 0 DIAARN C[C@@H](c1cccs1)N(C)C(=O)C1=Cc2ccccc2OC=C1 ZINC001506420094 1063511576 /nfs/dbraw/zinc/51/15/76/1063511576.db2.gz UGWBFUFURYFOFV-ZDUSSCGKSA-N 0 0 311.406 4.257 50 0 DIAARN Cc1noc(C)c1C(=O)Nc1cccc2c1ccn2CC(C)C ZINC000095475822 185373304 /nfs/dbraw/zinc/37/33/04/185373304.db2.gz IQVKGJZDZAXRTC-UHFFFAOYSA-N 0 0 311.385 4.154 50 0 DIAARN CSC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000095509518 185375716 /nfs/dbraw/zinc/37/57/16/185375716.db2.gz YICZFBUZYKXHQR-SNVBAGLBSA-N 0 0 316.829 4.086 50 0 DIAARN CCO[C@@H](C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1 ZINC000076697327 185032153 /nfs/dbraw/zinc/03/21/53/185032153.db2.gz HUOHYFPYSLRLNA-NSHDSACASA-N 0 0 319.455 4.214 50 0 DIAARN CC(C)c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000096747793 185386160 /nfs/dbraw/zinc/38/61/60/185386160.db2.gz LTOSPHBCVZZMIO-QXMHVHEDSA-N 0 0 301.411 4.223 50 0 DIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccsc1 ZINC000096759080 185386641 /nfs/dbraw/zinc/38/66/41/185386641.db2.gz DMIGTNVLLYBWPO-XFFZJAGNSA-N 0 0 314.797 4.056 50 0 DIAARN COc1ccc2nc(/C=C\c3ccc(OC)c(O)c3)sc2c1 ZINC000096792651 185388407 /nfs/dbraw/zinc/38/84/07/185388407.db2.gz MGWCLUPARGNBIO-YWEYNIOJSA-N 0 0 313.378 4.190 50 0 DIAARN COc1ccc(/C=C\c2nc3cc(Cl)ccc3o2)cc1O ZINC000096792038 185388461 /nfs/dbraw/zinc/38/84/61/185388461.db2.gz NCVSTHGXDOIZNP-CLTKARDFSA-N 0 0 301.729 4.366 50 0 DIAARN Cc1noc(C)c1CN(C(=O)/C=C\c1ccco1)c1ccccc1 ZINC000096870937 185389940 /nfs/dbraw/zinc/38/99/40/185389940.db2.gz KOIIQMBNMTYZIL-KHPPLWFESA-N 0 0 322.364 4.131 50 0 DIAARN CCOCCCNC(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096904464 185390686 /nfs/dbraw/zinc/39/06/86/185390686.db2.gz AZUKRNQTUMZITH-HJWRWDBZSA-N 0 0 323.845 4.111 50 0 DIAARN Cc1cnc([C@@H](C)N2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000328596290 231235232 /nfs/dbraw/zinc/23/52/32/231235232.db2.gz CMJUEQBEJRVHHU-CQSZACIVSA-N 0 0 313.832 4.289 50 0 DIAARN Cc1nc(C)c(C[S@](=O)c2ccc3ccccc3c2)s1 ZINC000083078063 185212776 /nfs/dbraw/zinc/21/27/76/185212776.db2.gz LPZSPTLXJZCPHR-HXUWFJFHSA-N 0 0 301.436 4.221 50 0 DIAARN CCc1ccccc1NC(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000096911803 185391341 /nfs/dbraw/zinc/39/13/41/185391341.db2.gz YLNWKKYCYYECCO-SEYXRHQNSA-N 0 0 317.392 4.087 50 0 DIAARN O=c1[nH]c(C(Cl)=Cc2cccnc2)nc2ccc(Cl)cc12 ZINC000096919963 185391369 /nfs/dbraw/zinc/39/13/69/185391369.db2.gz SZBIKRIEBNNVNY-WUXMJOGZSA-N 0 0 318.163 4.121 50 0 DIAARN O=C(Nc1cccc(C(F)F)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000088378248 185247836 /nfs/dbraw/zinc/24/78/36/185247836.db2.gz AOYFUZYSJGORGH-CYBMUJFWSA-N 0 0 320.343 4.106 50 0 DIAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C)o1 ZINC000096920636 185391841 /nfs/dbraw/zinc/39/18/41/185391841.db2.gz VNHBSBBFLIDKES-XHPSBEMXSA-N 0 0 301.411 4.199 50 0 DIAARN O=C(/C=C\c1cc(Cl)ccc1Cl)OCc1cccnc1 ZINC000096927273 185391974 /nfs/dbraw/zinc/39/19/74/185391974.db2.gz OFRHLXYMLFSXRS-UTCJRWHESA-N 0 0 308.164 4.145 50 0 DIAARN COC(=O)c1occc1/C=C\c1nc2cc(C)c(C)cc2s1 ZINC000096930344 185392602 /nfs/dbraw/zinc/39/26/02/185392602.db2.gz VTHUVOINMSCILC-PLNGDYQASA-N 0 0 313.378 4.463 50 0 DIAARN Cc1nc(-c2ccco2)sc1CNC(=O)Nc1cccs1 ZINC000090593461 185305785 /nfs/dbraw/zinc/30/57/85/185305785.db2.gz RFTFJZLVMQNIIS-UHFFFAOYSA-N 0 0 319.411 4.095 50 0 DIAARN COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1F ZINC000090600195 185305808 /nfs/dbraw/zinc/30/58/08/185305808.db2.gz ZKJZTIHFXHTYHH-CQSZACIVSA-N 0 0 317.360 4.185 50 0 DIAARN FC(F)(F)c1nc(Cl)c2ccc(Br)cc2n1 ZINC000090550117 185302235 /nfs/dbraw/zinc/30/22/35/185302235.db2.gz VUSHNWRGQDDPJU-UHFFFAOYSA-N 0 0 311.488 4.065 50 0 DIAARN CC(C)(C)OC(=O)n1cc(Br)c2ccc(F)cc21 ZINC000090635736 185307665 /nfs/dbraw/zinc/30/76/65/185307665.db2.gz MAERWTKKEZHNEC-UHFFFAOYSA-N 0 0 314.154 4.326 50 0 DIAARN CC(C)(C)OC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000166845499 197699376 /nfs/dbraw/zinc/69/93/76/197699376.db2.gz RMEYTKODWQFCLB-UHFFFAOYSA-N 0 0 306.587 4.450 50 0 DIAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc2O1 ZINC000000082341 190611219 /nfs/dbraw/zinc/61/12/19/190611219.db2.gz DEMWANOKGOTRRL-OAHLLOKOSA-N 0 0 322.191 4.326 50 0 DIAARN CCOc1ccccc1-c1nccn1[C@@H]1COc2ccccc2C1 ZINC000082109556 192358078 /nfs/dbraw/zinc/35/80/78/192358078.db2.gz 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/nfs/dbraw/zinc/30/30/26/186303026.db2.gz GNYOEYRLBWPPSI-QWHCGFSZSA-N 0 0 303.475 4.457 50 0 DIAARN Cc1ccccc1OCCCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000072303341 191116753 /nfs/dbraw/zinc/11/67/53/191116753.db2.gz GKZLFHJDXVHBRW-DYESRHJHSA-N 0 0 323.436 4.374 50 0 DIAARN Cc1ccccc1OCCCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000072303340 191116891 /nfs/dbraw/zinc/11/68/91/191116891.db2.gz GKZLFHJDXVHBRW-LAUBAEHRSA-N 0 0 323.436 4.374 50 0 DIAARN CC(C)(C)OC(=O)CCC(C)(C)Nc1nc2ccccc2o1 ZINC000072307735 191118283 /nfs/dbraw/zinc/11/82/83/191118283.db2.gz HDJIRRIYSATMRE-UHFFFAOYSA-N 0 0 304.390 4.140 50 0 DIAARN CC(C)n1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cn1 ZINC000072309724 191119016 /nfs/dbraw/zinc/11/90/16/191119016.db2.gz SBEZUCYKFUEIQV-LLVKDONJSA-N 0 0 306.797 4.000 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1C ZINC000072333095 191125254 /nfs/dbraw/zinc/12/52/54/191125254.db2.gz DVUVOAKMPNVVAS-MSOLQXFVSA-N 0 0 322.387 4.180 50 0 DIAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccccn2)c(C)c1 ZINC000000036257 180673686 /nfs/dbraw/zinc/67/36/86/180673686.db2.gz GOBHPASRWREDCO-AWEZNQCLSA-N 0 0 300.427 4.126 50 0 DIAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1F ZINC000000036018 180673786 /nfs/dbraw/zinc/67/37/86/180673786.db2.gz AVAKPBHNMJXDON-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000000038549 180674651 /nfs/dbraw/zinc/67/46/51/180674651.db2.gz FXYKREXZVFSYJZ-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN Cc1ccnc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000000036599 180674503 /nfs/dbraw/zinc/67/45/03/180674503.db2.gz JEIZWSMHTMPHOV-UHFFFAOYSA-N 0 0 302.377 4.161 50 0 DIAARN CN(Cc1ccoc1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072407237 191152880 /nfs/dbraw/zinc/15/28/80/191152880.db2.gz OZWYRFSKVAXZBL-UHFFFAOYSA-N 0 0 307.353 4.048 50 0 DIAARN CCOc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000064112 180681225 /nfs/dbraw/zinc/68/12/25/180681225.db2.gz XNGNZAMTZUCCGN-KPKJPENVSA-N 0 0 301.773 4.391 50 0 DIAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1Cl ZINC000000041654 180675259 /nfs/dbraw/zinc/67/52/59/180675259.db2.gz GSIDQMLHKAPFCA-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1Br ZINC000000045956 180676907 /nfs/dbraw/zinc/67/69/07/180676907.db2.gz OPVAAJSUIURGPJ-LBPRGKRZSA-N 0 0 318.214 4.249 50 0 DIAARN O=C1C[C@@H](c2ccccc2)c2cnn(Cc3cccs3)c2N1 ZINC000072404277 191151648 /nfs/dbraw/zinc/15/16/48/191151648.db2.gz GUBWZKWNQDXVJR-AWEZNQCLSA-N 0 0 309.394 4.117 50 0 DIAARN COc1ccc(-c2c(C)c3ccc(C)cc3oc2=O)cc1OC ZINC000000057803 180679806 /nfs/dbraw/zinc/67/98/06/180679806.db2.gz QLFHSSBCQHAJPZ-UHFFFAOYSA-N 0 0 310.349 4.094 50 0 DIAARN Cc1c(CC(Cl)(Cl)Cl)c2c(n1O)CC(C)(C)CC2=O ZINC000000089490 180689261 /nfs/dbraw/zinc/68/92/61/180689261.db2.gz JUAZIIXNHHYISS-UHFFFAOYSA-N 0 0 324.635 4.102 50 0 DIAARN Cc1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1 ZINC000000071563 180684115 /nfs/dbraw/zinc/68/41/15/180684115.db2.gz MYWYAASHXRKDJV-UHFFFAOYSA-N 0 0 301.415 4.032 50 0 DIAARN CC(C)(C)C(=O)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000076032 180685091 /nfs/dbraw/zinc/68/50/91/180685091.db2.gz FERNCHDKWLTCSD-UHFFFAOYSA-N 0 0 322.714 4.053 50 0 DIAARN Clc1ccc(-c2noc([C@H]3CCc4ccccc4O3)n2)cc1 ZINC000000082358 180686648 /nfs/dbraw/zinc/68/66/48/180686648.db2.gz NLNRWCMVHOVJIE-OAHLLOKOSA-N 0 0 312.756 4.456 50 0 DIAARN C[C@@H](C(=O)N(C)Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000072417904 191156020 /nfs/dbraw/zinc/15/60/20/191156020.db2.gz IRQOBWGVDZXPJB-OAHLLOKOSA-N 0 0 320.392 4.104 50 0 DIAARN Fc1ccccc1CSc1nnc2sc3ccccc3n12 ZINC000000087396 180688293 /nfs/dbraw/zinc/68/82/93/180688293.db2.gz YFDSTDAERWPENG-UHFFFAOYSA-N 0 0 315.398 4.375 50 0 DIAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=S)Nc1ccccc1 ZINC000000098942 180691804 /nfs/dbraw/zinc/69/18/04/180691804.db2.gz UHRSJUUHKITPDP-CYBMUJFWSA-N 0 0 321.449 4.484 50 0 DIAARN Cc1cccc2[nH]c(-c3c[nH]nc3-c3ccc(F)cc3F)nc21 ZINC000072422926 191158494 /nfs/dbraw/zinc/15/84/94/191158494.db2.gz QWQLVQBWRVQFCS-UHFFFAOYSA-N 0 0 310.307 4.207 50 0 DIAARN Cc1cc(C[C@H](C)n2ccnc2-c2ccc(Cl)s2)n[nH]1 ZINC000072421452 191158693 /nfs/dbraw/zinc/15/86/93/191158693.db2.gz LMTQHMAXBRKXQH-JTQLQIEISA-N 0 0 306.822 4.100 50 0 DIAARN O=C(c1ccc2ncsc2c1)N1CCCC[C@H]1c1ccccn1 ZINC000072426361 191159366 /nfs/dbraw/zinc/15/93/66/191159366.db2.gz KHUFVXLYEYQULC-INIZCTEOSA-N 0 0 323.421 4.059 50 0 DIAARN CCc1cc(N[C@@H](C)c2cccc(OC)c2)n2nc(C)c(C)c2n1 ZINC000072428669 191161361 /nfs/dbraw/zinc/16/13/61/191161361.db2.gz AEAALHHFWCGGQA-AWEZNQCLSA-N 0 0 324.428 4.090 50 0 DIAARN COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2)c1 ZINC000000110299 180696177 /nfs/dbraw/zinc/69/61/77/180696177.db2.gz FFAWDCJMENBFIY-UHFFFAOYSA-N 0 0 319.364 4.086 50 0 DIAARN CC(C)c1cc(N[C@H](c2cccnc2)C(C)C)n2nccc2n1 ZINC000072430502 191163703 /nfs/dbraw/zinc/16/37/03/191163703.db2.gz PATVTCBWNQTXTF-SFHVURJKSA-N 0 0 309.417 4.057 50 0 DIAARN CCOC(=O)c1c(NC(C)=O)sc(Cl)c1-c1ccccc1 ZINC000000124556 180700763 /nfs/dbraw/zinc/70/07/63/180700763.db2.gz QEVKGDQYLWUNDZ-UHFFFAOYSA-N 0 0 323.801 4.204 50 0 DIAARN O=C(CCCc1ccccc1)Nc1cccc(Br)c1 ZINC000000135958 180704803 /nfs/dbraw/zinc/70/48/03/180704803.db2.gz WJAKPJSSBXGKJS-UHFFFAOYSA-N 0 0 318.214 4.411 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000000147323 180708465 /nfs/dbraw/zinc/70/84/65/180708465.db2.gz YKSCAJLNAMQKEJ-CSKARUKUSA-N 0 0 317.772 4.009 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000000148172 180708795 /nfs/dbraw/zinc/70/87/95/180708795.db2.gz ZHNSKANEAYHFKN-UHFFFAOYSA-N 0 0 320.824 4.323 50 0 DIAARN CCCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000000149525 180709484 /nfs/dbraw/zinc/70/94/84/180709484.db2.gz LFYFWXSFROUGLS-UHFFFAOYSA-N 0 0 311.381 4.261 50 0 DIAARN CCCC(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 ZINC000000151117 180709774 /nfs/dbraw/zinc/70/97/74/180709774.db2.gz PQOAJYRAXQLLQX-UHFFFAOYSA-N 0 0 304.415 4.336 50 0 DIAARN Cc1ccsc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072474706 191176964 /nfs/dbraw/zinc/17/69/64/191176964.db2.gz ABLGPUXUPUUJEC-OAHLLOKOSA-N 0 0 315.417 4.409 50 0 DIAARN CCN(CC)C(=O)[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000188805 180720282 /nfs/dbraw/zinc/72/02/82/180720282.db2.gz MHHOOEQCZIIIGO-CYBMUJFWSA-N 0 0 304.821 4.110 50 0 aggregator DIAARN COc1ccc(-c2noc(-c3ccc(C)c(C)c3)n2)cc1OC ZINC000000199809 180722887 /nfs/dbraw/zinc/72/28/87/180722887.db2.gz LJACVCCVFRQQDP-UHFFFAOYSA-N 0 0 310.353 4.038 50 0 DIAARN CC(C)Cn1c(SCc2ccccc2)nnc1-c1ccncc1 ZINC000000203513 180724361 /nfs/dbraw/zinc/72/43/61/180724361.db2.gz NXFGYHMKGPKABO-UHFFFAOYSA-N 0 0 324.453 4.288 50 0 DIAARN CC(C)(C)c1ccc(OC(=O)c2ccc3nsnc3c2)cc1 ZINC000000204831 180724761 /nfs/dbraw/zinc/72/47/61/180724761.db2.gz ZMHQYUSXUHEFCD-UHFFFAOYSA-N 0 0 312.394 4.208 50 0 DIAARN Clc1ccccc1[C@H]1C[C@@H](c2cccs2)Nc2ncnn21 ZINC000000222724 180731051 /nfs/dbraw/zinc/73/10/51/180731051.db2.gz QOAMIYOJENZPKL-QWHCGFSZSA-N 0 0 316.817 4.139 50 0 DIAARN O[C@H](c1nc2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000000228025 180732166 /nfs/dbraw/zinc/73/21/66/180732166.db2.gz GMYLVBDBFFVRSW-IBGZPJMESA-N 0 0 300.361 4.107 50 0 DIAARN CCOc1cc(CNc2ccccc2SC)ccc1OC ZINC000000279773 180745850 /nfs/dbraw/zinc/74/58/50/180745850.db2.gz DXNJKUVZRNFXMS-UHFFFAOYSA-N 0 0 303.427 4.428 50 0 DIAARN Oc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000000285052 180747639 /nfs/dbraw/zinc/74/76/39/180747639.db2.gz ZYMZFYQTMLOGQG-UHFFFAOYSA-N 0 0 306.184 4.431 50 0 DIAARN Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)no1 ZINC000000285350 180748432 /nfs/dbraw/zinc/74/84/32/180748432.db2.gz OZHLBNPSSYVRRR-UHFFFAOYSA-N 0 0 306.365 4.144 50 0 DIAARN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(C)ccc1C ZINC000000310083 180755435 /nfs/dbraw/zinc/75/54/35/180755435.db2.gz VBSLGZDEKRBTEV-UHFFFAOYSA-N 0 0 320.392 4.018 50 0 DIAARN CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000000311101 180756014 /nfs/dbraw/zinc/75/60/14/180756014.db2.gz IQPMMRNRUZCDGB-CQSZACIVSA-N 0 0 303.789 4.481 50 0 aggregator DIAARN Fc1ccc(COc2ccc(C(=S)N3CCCC3)cc2)cc1 ZINC000000306773 180754299 /nfs/dbraw/zinc/75/42/99/180754299.db2.gz IADBWZPPJICSOF-UHFFFAOYSA-N 0 0 315.413 4.176 50 0 DIAARN CCSc1nc2c(Cl)cccc2c(=O)n1-c1ccccc1 ZINC000000306472 180754537 /nfs/dbraw/zinc/75/45/37/180754537.db2.gz BHYUQLIWSDARDF-UHFFFAOYSA-N 0 0 316.813 4.151 50 0 DIAARN COc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000000307869 180754756 /nfs/dbraw/zinc/75/47/56/180754756.db2.gz YRYHPTVWHDSOAH-UHFFFAOYSA-N 0 0 324.376 4.306 50 0 biogenic DIAARN CCN(C(=O)c1c(C)onc1-c1ccccc1)c1ccccc1 ZINC000000318089 180758671 /nfs/dbraw/zinc/75/86/71/180758671.db2.gz DEJGVVWXWTXULI-UHFFFAOYSA-N 0 0 306.365 4.317 50 0 DIAARN Cc1ccc(C)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000000332943 180760835 /nfs/dbraw/zinc/76/08/35/180760835.db2.gz IOZSUMAYGKWYGZ-UHFFFAOYSA-N 0 0 320.175 4.411 50 0 DIAARN O=C(N[C@@H]1CCCc2ccccc21)c1csc2c1CCCC2 ZINC000000371765 180769104 /nfs/dbraw/zinc/76/91/04/180769104.db2.gz IMEHOKKRTGEXGN-QGZVFWFLSA-N 0 0 311.450 4.434 50 0 DIAARN CC(C)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000000374612 180770602 /nfs/dbraw/zinc/77/06/02/180770602.db2.gz NQPBYVMAAVASGG-CYBMUJFWSA-N 0 0 311.381 4.030 50 0 DIAARN O=C(Nc1cccc(CCc2ccccn2)c1)NC1CCCCC1 ZINC000000381811 180772498 /nfs/dbraw/zinc/77/24/98/180772498.db2.gz NORLBJYITANBEZ-UHFFFAOYSA-N 0 0 323.440 4.321 50 0 DIAARN c1c2ccccc2oc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000000383135 180773113 /nfs/dbraw/zinc/77/31/13/180773113.db2.gz GVLSMMHOYGMDPM-UHFFFAOYSA-N 0 0 318.361 4.266 50 0 DIAARN O=C(Cc1noc2ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000000385424 180774011 /nfs/dbraw/zinc/77/40/11/180774011.db2.gz XMROPAJEAODSKW-UHFFFAOYSA-N 0 0 320.270 4.028 50 0 DIAARN CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cl)cc1 ZINC000000348629 180763741 /nfs/dbraw/zinc/76/37/41/180763741.db2.gz DEMNLMWHSBKOET-UHFFFAOYSA-N 0 0 323.801 4.139 50 0 DIAARN c1ccc(Oc2ccc(NCn3nnc4ccccc43)cc2)cc1 ZINC000000352724 180764823 /nfs/dbraw/zinc/76/48/23/180764823.db2.gz YSEJXJGJTNRBMB-UHFFFAOYSA-N 0 0 316.364 4.293 50 0 DIAARN CSc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000363439 180766860 /nfs/dbraw/zinc/76/68/60/180766860.db2.gz GNENLVPVRNFINT-UHFFFAOYSA-N 0 0 322.227 4.423 50 0 DIAARN O=C(Nc1cccc(Br)c1)c1ccccc1Cl ZINC000000409479 180779378 /nfs/dbraw/zinc/77/93/78/180779378.db2.gz DNWAUXAOOQFSDF-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc21 ZINC000000408760 180779502 /nfs/dbraw/zinc/77/95/02/180779502.db2.gz BJYVONFMVDPYCK-UHFFFAOYSA-N 0 0 324.332 4.055 50 0 DIAARN CCOC(=O)C1=C2c3ccc4ccccc4c3CC[C@@]2(C)C(=O)C1 ZINC000000393200 180775477 /nfs/dbraw/zinc/77/54/77/180775477.db2.gz LMMSXWNQPAMFAS-NRFANRHFSA-N 0 0 320.388 4.082 50 0 DIAARN COc1cccc2c1OC(c1ccccc1)(c1ccccc1)O2 ZINC000000392983 180775525 /nfs/dbraw/zinc/77/55/25/180775525.db2.gz ITMRVAMLLUJSPT-UHFFFAOYSA-N 0 0 304.345 4.368 50 0 DIAARN CN(C(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000000396419 180776716 /nfs/dbraw/zinc/77/67/16/180776716.db2.gz FAEKLACFIBLOSF-UHFFFAOYSA-N 0 0 311.223 4.246 50 0 DIAARN CCN(CC)C(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000434721 180790395 /nfs/dbraw/zinc/79/03/95/180790395.db2.gz IJUDGERWGNGOPM-UHFFFAOYSA-N 0 0 323.436 4.325 50 0 DIAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC1 ZINC000000442806 180792384 /nfs/dbraw/zinc/79/23/84/180792384.db2.gz LVVGDBFGOXDCOZ-UHFFFAOYSA-N 0 0 322.767 4.069 50 0 DIAARN Cc1ccc(F)cc1N1C(=O)CS[C@H]1c1ccccc1F ZINC000000423997 180785042 /nfs/dbraw/zinc/78/50/42/180785042.db2.gz BNPXRXRTAPYGCR-INIZCTEOSA-N 0 0 305.349 4.052 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(F)c2)cc1F ZINC000000423837 180785268 /nfs/dbraw/zinc/78/52/68/180785268.db2.gz BUNXUFXMSVZMOV-INIZCTEOSA-N 0 0 305.349 4.052 50 0 DIAARN COc1ccc(C)cc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000000460523 180797930 /nfs/dbraw/zinc/79/79/30/180797930.db2.gz NDUNQENETWQGGV-VQHVLOKHSA-N 0 0 301.773 4.309 50 0 DIAARN COc1ccc(CCCC(=O)Nc2ccccc2F)c(C)c1 ZINC000000462371 180798602 /nfs/dbraw/zinc/79/86/02/180798602.db2.gz MMQXUZXJMSJQSA-UHFFFAOYSA-N 0 0 301.361 4.104 50 0 DIAARN CCOc1ccc2c(c1)oc(C)c(-c1ccccc1OC)c2=O ZINC000000462918 180798836 /nfs/dbraw/zinc/79/88/36/180798836.db2.gz WWLWQYQVBHETQU-UHFFFAOYSA-N 0 0 310.349 4.176 50 0 biogenic DIAARN Cc1c(Br)cc(C(=O)NC2CCCCC2)c(C)c1C ZINC000000468141 180800120 /nfs/dbraw/zinc/80/01/20/180800120.db2.gz DIQAXSYTRUBCEE-UHFFFAOYSA-N 0 0 324.262 4.437 50 0 DIAARN CN(C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000000443962 180793162 /nfs/dbraw/zinc/79/31/62/180793162.db2.gz OVYCSDYYUJPJCC-UHFFFAOYSA-N 0 0 305.830 4.334 50 0 DIAARN Cc1nc2ccccc2c2c1C(=O)N(CCC1=CCCCC1)C2=O ZINC000000469264 180800732 /nfs/dbraw/zinc/80/07/32/180800732.db2.gz KZSLTCCXVXTCOE-UHFFFAOYSA-N 0 0 320.392 4.030 50 0 DIAARN O=C(Nc1ccc(Cl)cn1)c1cccc(Cl)c1Cl ZINC000000449948 180794995 /nfs/dbraw/zinc/79/49/95/180794995.db2.gz KNBJUQBIICFPAU-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1F ZINC000000452170 180795465 /nfs/dbraw/zinc/79/54/65/180795465.db2.gz YSZHLBYQVUXVMD-UHFFFAOYSA-N 0 0 324.380 4.106 50 0 DIAARN CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000451911 180795471 /nfs/dbraw/zinc/79/54/71/180795471.db2.gz JZXCMDLJJVDTHX-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN Cc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc1C ZINC000000475155 180802515 /nfs/dbraw/zinc/80/25/15/180802515.db2.gz AYJBDJRTVLOZET-JTQLQIEISA-N 0 0 324.833 4.128 50 0 DIAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 ZINC000000477540 180803460 /nfs/dbraw/zinc/80/34/60/180803460.db2.gz HWGFUVWMPVGKQP-CQSZACIVSA-N 0 0 303.789 4.481 50 0 DIAARN O=C1N[C@H](c2cccc(Oc3ccccc3)c2)Nc2ccccc21 ZINC000000483575 180805211 /nfs/dbraw/zinc/80/52/11/180805211.db2.gz VSCOFHPRXFGWAC-LJQANCHMSA-N 0 0 316.360 4.333 50 0 DIAARN COc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1OC ZINC000000496436 180807493 /nfs/dbraw/zinc/80/74/93/180807493.db2.gz AXUYNHOCYZVAEF-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1Cc1ccco1 ZINC000000500344 180808253 /nfs/dbraw/zinc/80/82/53/180808253.db2.gz YFLRKXISNOEIDD-BLLLJJGKSA-N 0 0 318.804 4.466 50 0 DIAARN CC(C)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000000508069 180809537 /nfs/dbraw/zinc/80/95/37/180809537.db2.gz KDHONSYOOIASAQ-VIFPVBQESA-N 0 0 307.488 4.146 50 0 DIAARN CC(=O)OC[C@@]12CO[C@H](c3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000000519033 180811050 /nfs/dbraw/zinc/81/10/50/180811050.db2.gz VCHXOWGOUYSRMD-GOKSDJKOSA-N 0 0 314.425 4.156 50 0 biogenic DIAARN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1 ZINC000000516104 180811225 /nfs/dbraw/zinc/81/12/25/180811225.db2.gz NNDQFAWMWMCEBP-UHFFFAOYSA-N 0 0 323.783 4.358 50 0 DIAARN Cc1ccccc1N1C(=S)N=NC1Cc1ccc(Cl)cc1 ZINC000000520774 180811887 /nfs/dbraw/zinc/81/18/87/180811887.db2.gz SKKNQQQYZITNHY-UHFFFAOYSA-N 0 0 315.829 4.109 50 0 DIAARN Clc1cccc(-c2nnc3sc(-c4cccs4)nn32)c1 ZINC000000523656 180812482 /nfs/dbraw/zinc/81/24/82/180812482.db2.gz SKOLLXNUEPSYSU-UHFFFAOYSA-N 0 0 318.814 4.235 50 0 DIAARN Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 ZINC000000527442 180813341 /nfs/dbraw/zinc/81/33/41/180813341.db2.gz LFJVHRDTTPMBSX-UHFFFAOYSA-N 0 0 305.790 4.021 50 0 DIAARN Cc1cc(Br)cc(C)c1OC(=O)c1ccccc1 ZINC000000556139 180820776 /nfs/dbraw/zinc/82/07/76/180820776.db2.gz BIYVEWCTSUELJD-UHFFFAOYSA-N 0 0 305.171 4.285 50 0 DIAARN O=C(CSc1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000000574079 180824964 /nfs/dbraw/zinc/82/49/64/180824964.db2.gz KSQNGOUJCGXLAE-UHFFFAOYSA-N 0 0 318.398 4.166 50 0 DIAARN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000000609186 180827060 /nfs/dbraw/zinc/82/70/60/180827060.db2.gz RJOGKSLHMKYQDS-NSHDSACASA-N 0 0 307.365 4.225 50 0 DIAARN CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000557986 180821562 /nfs/dbraw/zinc/82/15/62/180821562.db2.gz UCZNWBLRBDINBC-UHFFFAOYSA-N 0 0 300.324 4.044 50 0 DIAARN CC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1 ZINC000000612740 180829036 /nfs/dbraw/zinc/82/90/36/180829036.db2.gz GNFJTRBLUFVMGS-UHFFFAOYSA-N 0 0 324.409 4.216 50 0 DIAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@H](C)O)c1C ZINC000000572468 180824264 /nfs/dbraw/zinc/82/42/64/180824264.db2.gz CIKMCBIZTJBKHQ-INIZCTEOSA-N 0 0 308.425 4.372 50 0 DIAARN Cc1cccc(-c2nnc(-c3ccc(NC(=O)C4CC4)cc3)o2)c1 ZINC000000621033 180831305 /nfs/dbraw/zinc/83/13/05/180831305.db2.gz QPTCSDSXXWLRLJ-UHFFFAOYSA-N 0 0 319.364 4.061 50 0 DIAARN Cc1cc(C)cc(N2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000000621451 180831556 /nfs/dbraw/zinc/83/15/56/180831556.db2.gz MZDGOOAAZLANFM-UHFFFAOYSA-N 0 0 315.829 4.493 50 0 DIAARN O=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1ccccc1 ZINC000000795389 180832489 /nfs/dbraw/zinc/83/24/89/180832489.db2.gz LPYVLJQANYJRNO-UHFFFAOYSA-N 0 0 322.408 4.001 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 ZINC000000860387 180836686 /nfs/dbraw/zinc/83/66/86/180836686.db2.gz KTFACLGYBQMEQR-CQSZACIVSA-N 0 0 301.817 4.020 50 0 DIAARN CC(=O)c1sc(Nc2ccc(OC(F)(F)F)cc2)nc1C ZINC000001017428 180841636 /nfs/dbraw/zinc/84/16/36/180841636.db2.gz HLIGIEZEFARWPW-UHFFFAOYSA-N 0 0 316.304 4.296 50 0 DIAARN O=C(Nc1ncccc1OCc1ccccc1)C1CCCCC1 ZINC000001017441 180841710 /nfs/dbraw/zinc/84/17/10/180841710.db2.gz UAHCNIWJGGHEOR-UHFFFAOYSA-N 0 0 310.397 4.179 50 0 DIAARN CCOc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(C)=O ZINC000001077161 180845834 /nfs/dbraw/zinc/84/58/34/180845834.db2.gz LAHPMOFMMMPVQD-LJQANCHMSA-N 0 0 322.408 4.091 50 0 DIAARN CC[C@@]1(C)Cc2c(sc3[nH]c(SC)nc(=S)c23)CO1 ZINC000001282620 180852578 /nfs/dbraw/zinc/85/25/78/180852578.db2.gz DWGYWSRWBNSTPT-ZDUSSCGKSA-N 0 0 312.485 4.317 50 0 DIAARN Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)o2)cs1 ZINC000001422656 180864721 /nfs/dbraw/zinc/86/47/21/180864721.db2.gz OEUWXHWFEADXGO-UHFFFAOYSA-N 0 0 323.830 4.447 50 0 DIAARN C[C@]12CCN(C(=S)Nc3ccccc3)[C@@]1(C)Nc1ccccc12 ZINC000001424572 180864740 /nfs/dbraw/zinc/86/47/40/180864740.db2.gz MFHJFBQUTBJMTR-RTBURBONSA-N 0 0 323.465 4.189 50 0 DIAARN CCCCOc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 ZINC000001779274 180895950 /nfs/dbraw/zinc/89/59/50/180895950.db2.gz VJGWXWWBLDPMRR-SDNWHVSQSA-N 0 0 309.409 4.195 50 0 DIAARN CCCCOc1ccc2c(C)cc(=O)oc2c1OCCCC ZINC000001805703 180897081 /nfs/dbraw/zinc/89/70/81/180897081.db2.gz FBBRMRALYRERAV-UHFFFAOYSA-N 0 0 304.386 4.459 50 0 DIAARN CCCCCc1nc2ccccc2c(=O)n1-c1cccc(C)c1 ZINC000001832476 180897700 /nfs/dbraw/zinc/89/77/00/180897700.db2.gz RUVDXJBZRBFHDM-UHFFFAOYSA-N 0 0 306.409 4.427 50 0 DIAARN CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000001822592 180898130 /nfs/dbraw/zinc/89/81/30/180898130.db2.gz QYXUNJISOHLWSO-UHFFFAOYSA-N 0 0 306.409 4.427 50 0 DIAARN CCc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000002051894 180907947 /nfs/dbraw/zinc/90/79/47/180907947.db2.gz GUDARKNRWASQLZ-UHFFFAOYSA-N 0 0 305.377 4.420 50 0 DIAARN CCCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000002052119 180908294 /nfs/dbraw/zinc/90/82/94/180908294.db2.gz YRURQWLPSORKBH-UHFFFAOYSA-N 0 0 319.257 4.387 50 0 DIAARN Cc1cccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000002069707 180908966 /nfs/dbraw/zinc/90/89/66/180908966.db2.gz FMOZMJVHJGPXKN-UHFFFAOYSA-N 0 0 318.438 4.369 50 0 DIAARN CC[C@@H](C(=O)NCCc1c[nH]c2ccc(C)cc12)c1ccccc1 ZINC000002205547 180915062 /nfs/dbraw/zinc/91/50/62/180915062.db2.gz KAPDNUXJGFUHEW-GOSISDBHSA-N 0 0 320.436 4.329 50 0 DIAARN COc1cccc(OCCSc2nc3ccccc3s2)c1 ZINC000002480181 180926181 /nfs/dbraw/zinc/92/61/81/180926181.db2.gz JERZFNFTNJMUMN-UHFFFAOYSA-N 0 0 317.435 4.476 50 0 DIAARN CCCCn1nc(NC(=O)CCC)c2cc3cccc(C)c3nc21 ZINC000002419115 180923291 /nfs/dbraw/zinc/92/32/91/180923291.db2.gz MJLWCVATMZIHIW-UHFFFAOYSA-N 0 0 324.428 4.432 50 0 DIAARN O=C(Nc1c(F)cccc1F)C1(c2ccccc2)CCCC1 ZINC000002512733 180929181 /nfs/dbraw/zinc/92/91/81/180929181.db2.gz UCCKJGBPHXBTSK-UHFFFAOYSA-N 0 0 301.336 4.415 50 0 DIAARN O=C(Nc1cc(F)cc(F)c1)C1(c2ccccc2)CCCC1 ZINC000002512648 180929242 /nfs/dbraw/zinc/92/92/42/180929242.db2.gz XTWAUKACKACWMJ-UHFFFAOYSA-N 0 0 301.336 4.415 50 0 DIAARN COc1ccc(Cl)cc1NCC[C@H](O)c1ccc(F)cc1 ZINC000002521073 180931635 /nfs/dbraw/zinc/93/16/35/180931635.db2.gz VARXYJUUTDNBCQ-HNNXBMFYSA-N 0 0 309.768 4.023 50 0 DIAARN CC(C)(C)c1c2c(nn1-c1ccccc1)-c1ccccc1C2=O ZINC000002543430 180933964 /nfs/dbraw/zinc/93/39/64/180933964.db2.gz VZJRZEZTGFAVIH-UHFFFAOYSA-N 0 0 302.377 4.381 50 0 DIAARN COC(=O)c1c(N)scc1-c1ccc(-c2ccccc2)cc1 ZINC000002575795 180936603 /nfs/dbraw/zinc/93/66/03/180936603.db2.gz JAEKOCDAFWCYBZ-UHFFFAOYSA-N 0 0 309.390 4.451 50 0 DIAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000002633152 180941920 /nfs/dbraw/zinc/94/19/20/180941920.db2.gz SLGUXKYLMNBFPV-OAHLLOKOSA-N 0 0 317.454 4.021 50 0 DIAARN COc1ccc(NC(=O)CCOc2ccccc2C)cc1Cl ZINC000002647234 180943427 /nfs/dbraw/zinc/94/34/27/180943427.db2.gz IUTNIVMFSZVSAN-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000002653655 180945027 /nfs/dbraw/zinc/94/50/27/180945027.db2.gz SPASKKFFTTZENE-MDZDMXLPSA-N 0 0 321.405 4.165 50 0 DIAARN Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1 ZINC000002669174 180946371 /nfs/dbraw/zinc/94/63/71/180946371.db2.gz LUEKFGCRPITIKV-UHFFFAOYSA-N 0 0 314.435 4.356 50 0 DIAARN CCOc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC(C)C ZINC000002752977 180952027 /nfs/dbraw/zinc/95/20/27/180952027.db2.gz CNZJNFJMTHHDBI-UHFFFAOYSA-N 0 0 317.360 4.264 50 0 DIAARN CCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002721305 180949282 /nfs/dbraw/zinc/94/92/82/180949282.db2.gz KAUOMBUKUKRRLD-OAHLLOKOSA-N 0 0 321.424 4.327 50 0 DIAARN CCCC[C@@H](CC)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000002733979 180949764 /nfs/dbraw/zinc/94/97/64/180949764.db2.gz APINFJLHEFKVMV-CQSZACIVSA-N 0 0 317.458 4.284 50 0 DIAARN CC(C)c1cc2c(s1)N[C@H](c1ccc(Cl)cc1)NC2=O ZINC000002735903 180950533 /nfs/dbraw/zinc/95/05/33/180950533.db2.gz GAWRTTHGIIKTSM-CYBMUJFWSA-N 0 0 306.818 4.379 50 0 DIAARN CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000002773735 180955109 /nfs/dbraw/zinc/95/51/09/180955109.db2.gz HQPJVGJCWARKBZ-VHSXEESVSA-N 0 0 304.217 4.066 50 0 DIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000002766404 180953947 /nfs/dbraw/zinc/95/39/47/180953947.db2.gz GWKHFZAUDFNXGQ-UHFFFAOYSA-N 0 0 314.435 4.336 50 0 DIAARN COc1cccc(OCCCOc2cccc3ccc(C)nc32)c1 ZINC000002824794 180961958 /nfs/dbraw/zinc/96/19/58/180961958.db2.gz SLRUQKYOOFGZKM-UHFFFAOYSA-N 0 0 323.392 4.400 50 0 DIAARN CCCCCc1nnc(NC(=O)[C@@H](CC)c2ccccc2)s1 ZINC000002854021 180964198 /nfs/dbraw/zinc/96/41/98/180964198.db2.gz YEOATUGLKHIGOP-AWEZNQCLSA-N 0 0 317.458 4.403 50 0 DIAARN CCc1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000002796921 180958925 /nfs/dbraw/zinc/95/89/25/180958925.db2.gz AVZQYHCMZLHHJY-UHFFFAOYSA-N 0 0 321.323 4.111 50 0 DIAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2cccs2)on1 ZINC000002802430 180959360 /nfs/dbraw/zinc/95/93/60/180959360.db2.gz AXNCXZHNPIAORX-AWEZNQCLSA-N 0 0 324.405 4.211 50 0 DIAARN CCOC(=O)c1c(NC(=O)CC)sc(C)c1-c1ccccc1 ZINC000002978406 180973273 /nfs/dbraw/zinc/97/32/73/180973273.db2.gz IFCWPAOLOPVCSD-UHFFFAOYSA-N 0 0 317.410 4.249 50 0 DIAARN CCCCC1CCC(C(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000002866562 180965363 /nfs/dbraw/zinc/96/53/63/180965363.db2.gz NLCCJRFAVDLAQF-UHFFFAOYSA-N 0 0 317.429 4.408 50 0 DIAARN Cc1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000002873360 180965729 /nfs/dbraw/zinc/96/57/29/180965729.db2.gz UKOQFOAJBXQYOL-UHFFFAOYSA-N 0 0 311.425 4.101 50 0 DIAARN O=C(Nc1ccccc1)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002900773 180968957 /nfs/dbraw/zinc/96/89/57/180968957.db2.gz JGEIVEXBGOHXBU-OAHLLOKOSA-N 0 0 306.192 4.141 50 0 DIAARN O=C(NCCCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002977436 180973676 /nfs/dbraw/zinc/97/36/76/180973676.db2.gz UUDWYJMAFYEFFS-UHFFFAOYSA-N 0 0 308.208 4.356 50 0 DIAARN Cc1cccc(CC(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000003104886 180981603 /nfs/dbraw/zinc/98/16/03/180981603.db2.gz PNANLBYTBDHSJL-UHFFFAOYSA-N 0 0 319.857 4.099 50 0 DIAARN C[C@@H](NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC000003121339 180982566 /nfs/dbraw/zinc/98/25/66/180982566.db2.gz HTPBJOMKIMAFQA-SECBINFHSA-N 0 0 320.380 4.306 50 0 DIAARN Cc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1C ZINC000003326924 181006157 /nfs/dbraw/zinc/00/61/57/181006157.db2.gz YANMTXZWVXPKGT-UHFFFAOYSA-N 0 0 302.443 4.239 50 0 DIAARN CCC(=O)c1ccc(OC(=O)c2ccc3ncsc3c2)cc1 ZINC000003281661 181000278 /nfs/dbraw/zinc/00/02/78/181000278.db2.gz OYKAYRISKWSBDG-UHFFFAOYSA-N 0 0 311.362 4.108 50 0 DIAARN COc1ccc(C)cc1Nc1ncnc2c3ccccc3oc21 ZINC000003285058 181000287 /nfs/dbraw/zinc/00/02/87/181000287.db2.gz YRBHBWLLAYQAIS-UHFFFAOYSA-N 0 0 305.337 4.437 50 0 DIAARN CCCOc1ccc(C(=O)Nc2cccc(CC)c2)cc1OC ZINC000003328560 181006179 /nfs/dbraw/zinc/00/61/79/181006179.db2.gz JVDPBDIVOMYYES-UHFFFAOYSA-N 0 0 313.397 4.299 50 0 DIAARN Cc1ccc(C)c(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000003327823 181006183 /nfs/dbraw/zinc/00/61/83/181006183.db2.gz FLHRITIBGHRYLE-UHFFFAOYSA-N 0 0 308.786 4.058 50 0 DIAARN Cc1cc2sc(NC(=O)Cc3ccsc3)nc2c(C)c1 ZINC000003287981 181000943 /nfs/dbraw/zinc/00/09/43/181000943.db2.gz IZONRKLZKLTEPD-UHFFFAOYSA-N 0 0 302.424 4.156 50 0 DIAARN CC(=O)Nc1ccc(SCC(=O)c2cc(C)ccc2C)cc1 ZINC000003293634 181001408 /nfs/dbraw/zinc/00/14/08/181001408.db2.gz TWEIMZZOZHODOG-UHFFFAOYSA-N 0 0 313.422 4.237 50 0 DIAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000003308004 181002602 /nfs/dbraw/zinc/00/26/02/181002602.db2.gz WDHVIUHVWCZGNV-LBPRGKRZSA-N 0 0 312.251 4.394 50 0 DIAARN CC(C)(C)C1CCC(OC(=O)COc2ccccc2F)CC1 ZINC000003310938 181002644 /nfs/dbraw/zinc/00/26/44/181002644.db2.gz PDCGAGXGYRHPMG-UHFFFAOYSA-N 0 0 308.393 4.353 50 0 DIAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCCC1 ZINC000003307046 181003068 /nfs/dbraw/zinc/00/30/68/181003068.db2.gz RMGKIAVGWSKKCA-UHFFFAOYSA-N 0 0 314.435 4.261 50 0 DIAARN CC(C)(C)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000003361232 181011785 /nfs/dbraw/zinc/01/17/85/181011785.db2.gz IWUXVJBWFFXFFX-UHFFFAOYSA-N 0 0 310.393 4.055 50 0 DIAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=O ZINC000003372715 181013113 /nfs/dbraw/zinc/01/31/13/181013113.db2.gz JCVNKBACDVSPGX-UHFFFAOYSA-N 0 0 303.576 4.013 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)c(C)c1 ZINC000003330294 181006800 /nfs/dbraw/zinc/00/68/00/181006800.db2.gz BSGHWDPDOVJABQ-UHFFFAOYSA-N 0 0 317.454 4.402 50 0 DIAARN CCN(c1ccc(NC(=O)CCc2ccccc2)cc1)C(C)C ZINC000003333335 181007188 /nfs/dbraw/zinc/00/71/88/181007188.db2.gz ZCKKFZCYUBTTDP-UHFFFAOYSA-N 0 0 310.441 4.493 50 0 DIAARN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000003329798 181007218 /nfs/dbraw/zinc/00/72/18/181007218.db2.gz JNFNPXRFLKOCOO-UHFFFAOYSA-N 0 0 321.417 4.232 50 0 DIAARN Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000003336850 181007672 /nfs/dbraw/zinc/00/76/72/181007672.db2.gz BNCBGONBJJILJV-SSDOTTSWSA-N 0 0 313.184 4.089 50 0 DIAARN Cc1ccc(NC(=S)N(C)Cc2ccccc2)cc1Cl ZINC000003338877 181008155 /nfs/dbraw/zinc/00/81/55/181008155.db2.gz KMPCFQDDTXJYOR-UHFFFAOYSA-N 0 0 304.846 4.477 50 0 DIAARN CCC(=O)Nc1ccc(-c2csc(N[C@H](C)CC)n2)cc1 ZINC000003346859 181009977 /nfs/dbraw/zinc/00/99/77/181009977.db2.gz KMIOAAYQRMAWTK-LLVKDONJSA-N 0 0 303.431 4.369 50 0 DIAARN Cc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1 ZINC000003352041 181010528 /nfs/dbraw/zinc/01/05/28/181010528.db2.gz AHLBEUUXTUMZLV-UHFFFAOYSA-N 0 0 321.471 4.297 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCC1 ZINC000003359611 181010888 /nfs/dbraw/zinc/01/08/88/181010888.db2.gz XRNDIUPKQVKFHW-UHFFFAOYSA-N 0 0 305.381 4.359 50 0 DIAARN Cc1csc(N(C(=O)c2cccs2)c2ccccc2)n1 ZINC000003455860 181022197 /nfs/dbraw/zinc/02/21/97/181022197.db2.gz JBOWRHQINUXQBH-UHFFFAOYSA-N 0 0 300.408 4.492 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)COC(=O)CCC1CCCC1 ZINC000003403086 181015994 /nfs/dbraw/zinc/01/59/94/181015994.db2.gz PNEMROOIJJNZPT-UHFFFAOYSA-N 0 0 323.820 4.101 50 0 DIAARN CCOc1ccccc1OCCCC(=O)OCCCC(C)C ZINC000003411518 181016394 /nfs/dbraw/zinc/01/63/94/181016394.db2.gz CQIYBGPWBHTPJV-UHFFFAOYSA-N 0 0 308.418 4.224 50 0 DIAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1F ZINC000003415146 181016749 /nfs/dbraw/zinc/01/67/49/181016749.db2.gz GGACFOBYLJHLLW-CMDGGOBGSA-N 0 0 309.262 4.496 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)CN(C)Cc2ccccc2)cc1 ZINC000003422375 181017491 /nfs/dbraw/zinc/01/74/91/181017491.db2.gz BCSJHSXWKBQZRC-INIZCTEOSA-N 0 0 310.441 4.271 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000003423108 181017570 /nfs/dbraw/zinc/01/75/70/181017570.db2.gz JRWJAMVXRRIWJH-SNVBAGLBSA-N 0 0 311.278 4.336 50 0 DIAARN COc1cc(Cl)c(C)cc1NC(=O)C1(c2ccccc2)CC1 ZINC000003422397 181017676 /nfs/dbraw/zinc/01/76/76/181017676.db2.gz KZNTWIXVKGYUHG-UHFFFAOYSA-N 0 0 315.800 4.327 50 0 DIAARN O=C(Cc1c(Cl)cccc1Cl)NC1CCCCCC1 ZINC000003428276 181018104 /nfs/dbraw/zinc/01/81/04/181018104.db2.gz MOLICCFOAQPYJU-UHFFFAOYSA-N 0 0 300.229 4.375 50 0 DIAARN O=C(NCC1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000003434487 181018807 /nfs/dbraw/zinc/01/88/07/181018807.db2.gz HXNIBQXJLIVIHO-UHFFFAOYSA-N 0 0 300.324 4.407 50 0 DIAARN C[C@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000003445017 181020909 /nfs/dbraw/zinc/02/09/09/181020909.db2.gz AEAHPNIVJWHJQM-NSHDSACASA-N 0 0 324.207 4.250 50 0 DIAARN Cc1ccc2c(CC(=O)N[C@@H](C)CCc3ccccc3)coc2c1 ZINC000003451678 181021626 /nfs/dbraw/zinc/02/16/26/181021626.db2.gz MQUIWDMMXPKDMG-INIZCTEOSA-N 0 0 321.420 4.421 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000003532832 181030840 /nfs/dbraw/zinc/03/08/40/181030840.db2.gz SCMHSZNJHFGABM-UHFFFAOYSA-N 0 0 321.332 4.072 50 0 DIAARN COc1ccc(-c2nnc(SCc3ccc(C)cc3)o2)cc1 ZINC000003458858 181022805 /nfs/dbraw/zinc/02/28/05/181022805.db2.gz FSYKILSVYFUUNW-UHFFFAOYSA-N 0 0 312.394 4.346 50 0 DIAARN Cc1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1 ZINC000003469758 181024094 /nfs/dbraw/zinc/02/40/94/181024094.db2.gz PGOLDYUZTIUVRM-CYBMUJFWSA-N 0 0 321.471 4.251 50 0 DIAARN CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000003472858 181024340 /nfs/dbraw/zinc/02/43/40/181024340.db2.gz LTHULEDOLKDKOY-LBPRGKRZSA-N 0 0 319.788 4.145 50 0 DIAARN Cc1ccc(Sc2cc(C(F)(F)F)nc(N(C)C)n2)cc1 ZINC000003469934 181024416 /nfs/dbraw/zinc/02/44/16/181024416.db2.gz ZZPXPKOFCBIVCN-UHFFFAOYSA-N 0 0 313.348 4.021 50 0 aggregator DIAARN O=C(Cc1ccccc1Cl)Nc1ccc(Br)cc1 ZINC000003481116 181025375 /nfs/dbraw/zinc/02/53/75/181025375.db2.gz STOBZWBDTAAQON-UHFFFAOYSA-N 0 0 324.605 4.284 50 0 DIAARN O=c1ccc2ccc(OCc3ccccc3C(F)(F)F)cc2o1 ZINC000003493866 181026277 /nfs/dbraw/zinc/02/62/77/181026277.db2.gz ZKFLESLZYKIUOB-UHFFFAOYSA-N 0 0 320.266 4.391 50 0 DIAARN CCOc1ccccc1NC(=O)COc1cc(C)ccc1Cl ZINC000003494296 181026352 /nfs/dbraw/zinc/02/63/52/181026352.db2.gz XZNXDMHGBRZGRI-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN Cc1ccccc1NC(=O)[C@H](C)Sc1ncnc2ccccc21 ZINC000003490760 181026366 /nfs/dbraw/zinc/02/63/66/181026366.db2.gz MYHUFOHWGLHJAQ-ZDUSSCGKSA-N 0 0 323.421 4.058 50 0 DIAARN CC(=O)c1ccccc1NC(=O)CSc1cc(C)ccc1C ZINC000003499221 181026944 /nfs/dbraw/zinc/02/69/44/181026944.db2.gz PKTWYHSYPUIVFF-UHFFFAOYSA-N 0 0 313.422 4.237 50 0 DIAARN COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 ZINC000003499276 181027033 /nfs/dbraw/zinc/02/70/33/181027033.db2.gz IPFLGENXWHILSC-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN Cc1cc(F)ccc1NC(=O)COc1cccc2ccccc21 ZINC000003524371 181029909 /nfs/dbraw/zinc/02/99/09/181029909.db2.gz MVVLNSUEMGALKT-UHFFFAOYSA-N 0 0 309.340 4.305 50 0 DIAARN Cc1cc(C)c(NC(=O)c2cccc(OC(F)F)c2)c(C)c1 ZINC000003547888 181032618 /nfs/dbraw/zinc/03/26/18/181032618.db2.gz PXMDOPHPPIPJDC-UHFFFAOYSA-N 0 0 305.324 4.466 50 0 DIAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000003547207 181033003 /nfs/dbraw/zinc/03/30/03/181033003.db2.gz YMQWCMFBTJZFHH-UHFFFAOYSA-N 0 0 313.328 4.361 50 0 DIAARN COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000003548198 181033082 /nfs/dbraw/zinc/03/30/82/181033082.db2.gz QVCXXKNMUVUTQX-UHFFFAOYSA-N 0 0 319.788 4.145 50 0 DIAARN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000003554347 181033923 /nfs/dbraw/zinc/03/39/23/181033923.db2.gz DPMOEMHUFHIHTM-CQSZACIVSA-N 0 0 317.816 4.041 50 0 DIAARN Cc1cccc(Nc2nnc(S[C@@H]3CCCC3=O)s2)c1C ZINC000003560923 181034508 /nfs/dbraw/zinc/03/45/08/181034508.db2.gz NISMSZISNDFSNT-CYBMUJFWSA-N 0 0 319.455 4.112 50 0 DIAARN Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4o3)ccc12 ZINC000003558435 181034756 /nfs/dbraw/zinc/03/47/56/181034756.db2.gz GYOIBDMVLOZVDX-UHFFFAOYSA-N 0 0 319.316 4.100 50 0 DIAARN COc1ccc(C(C)=O)cc1CSc1ncnc2ccccc21 ZINC000003580122 181036876 /nfs/dbraw/zinc/03/68/76/181036876.db2.gz HRGNACNVMITGCY-UHFFFAOYSA-N 0 0 324.405 4.133 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000003581304 181037392 /nfs/dbraw/zinc/03/73/92/181037392.db2.gz JQODGASJSGXYFC-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CCOc1ccc(NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000003588446 181037666 /nfs/dbraw/zinc/03/76/66/181037666.db2.gz ABNGJSUCQRYOCC-QGZVFWFLSA-N 0 0 324.424 4.415 50 0 DIAARN O=C(CSc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003598164 181038629 /nfs/dbraw/zinc/03/86/29/181038629.db2.gz ZEEVWIZRSYBYSC-QGZVFWFLSA-N 0 0 315.413 4.112 50 0 DIAARN CCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000003603150 181038779 /nfs/dbraw/zinc/03/87/79/181038779.db2.gz YMJBBUOVMOJNDR-UHFFFAOYSA-N 0 0 308.208 4.486 50 0 DIAARN CSc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000003608585 181040134 /nfs/dbraw/zinc/04/01/34/181040134.db2.gz BLRSKBORLPSZFC-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN CCOC(=O)c1c(C)n(C)c2ccc(OCc3ccccc3)cc21 ZINC000003877352 181051723 /nfs/dbraw/zinc/05/17/23/181051723.db2.gz ZIAAFANQXTVKEF-UHFFFAOYSA-N 0 0 323.392 4.242 50 0 DIAARN CCc1nc2cc(Oc3ccc4[nH]c(CC)nc4c3)ccc2[nH]1 ZINC000003909158 181057257 /nfs/dbraw/zinc/05/72/57/181057257.db2.gz QURLYJDPMOUIJS-UHFFFAOYSA-N 0 0 306.369 4.356 50 0 DIAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl ZINC000003885921 181052230 /nfs/dbraw/zinc/05/22/30/181052230.db2.gz GQUSSKTYONFZOT-UHFFFAOYSA-N 0 0 312.756 4.014 50 0 DIAARN Cc1cccc(N2C(=S)N=NC2c2c[nH]c3ccccc32)c1 ZINC000003885792 181052278 /nfs/dbraw/zinc/05/22/78/181052278.db2.gz RTHYPKREPKNNCU-UHFFFAOYSA-N 0 0 306.394 4.013 50 0 DIAARN COC(=O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003883842 181052416 /nfs/dbraw/zinc/05/24/16/181052416.db2.gz PJFYIQIKJYWJHM-UHFFFAOYSA-N 0 0 315.678 4.207 50 0 DIAARN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(Cl)c23)C1 ZINC000003887558 181052837 /nfs/dbraw/zinc/05/28/37/181052837.db2.gz RVNLJOQXBUQMNQ-JTQLQIEISA-N 0 0 321.877 4.065 50 0 DIAARN Cc1ccc(-c2nc3cnccn3c2Nc2cccc(C)c2)o1 ZINC000003896526 181053470 /nfs/dbraw/zinc/05/34/70/181053470.db2.gz ZTMPWXGAXDWHFS-UHFFFAOYSA-N 0 0 304.353 4.350 50 0 DIAARN Cc1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000003896518 181053640 /nfs/dbraw/zinc/05/36/40/181053640.db2.gz RWQNNBVIYUSIGK-UHFFFAOYSA-N 0 0 300.365 4.448 50 0 DIAARN Cc1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1 ZINC000003903057 181054914 /nfs/dbraw/zinc/05/49/14/181054914.db2.gz CJUPKBJQYUBNCX-QFULKBQASA-N 0 0 312.369 4.190 50 0 DIAARN CCCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003901578 181054925 /nfs/dbraw/zinc/05/49/25/181054925.db2.gz JJKXPKJVQBEWSJ-UHFFFAOYSA-N 0 0 308.333 4.166 50 0 biogenic DIAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccco2)on1 ZINC000003908414 181056619 /nfs/dbraw/zinc/05/66/19/181056619.db2.gz DQPQAGFBUKRZCY-UHFFFAOYSA-N 0 0 322.242 4.206 50 0 DIAARN CCN(C(=O)c1cccc(Br)c1)c1ccccc1 ZINC000004020009 181063247 /nfs/dbraw/zinc/06/32/47/181063247.db2.gz YJCLJFQBWRTANU-UHFFFAOYSA-N 0 0 304.187 4.116 50 0 DIAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004040486 181065999 /nfs/dbraw/zinc/06/59/99/181065999.db2.gz NQUQIAYCNLKMTR-QETMQDACSA-N 0 0 316.441 4.265 50 0 biogenic DIAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2C)o1 ZINC000004038561 181066032 /nfs/dbraw/zinc/06/60/32/181066032.db2.gz YCJHDCKVDLSWRK-UHFFFAOYSA-N 0 0 304.353 4.350 50 0 DIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 ZINC000003941075 181058002 /nfs/dbraw/zinc/05/80/02/181058002.db2.gz UXWAXGPNSGZILN-UHFFFAOYSA-N 0 0 303.833 4.286 50 0 DIAARN COc1ccccc1Cc1noc(/C=C/c2ccc(C)cc2)n1 ZINC000003913235 181058028 /nfs/dbraw/zinc/05/80/28/181058028.db2.gz GVEJBBQCPDUBEY-VAWYXSNFSA-N 0 0 306.365 4.148 50 0 DIAARN COc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCO4)cc1 ZINC000004090612 181072223 /nfs/dbraw/zinc/07/22/23/181072223.db2.gz LBGUQHLZUSSCSB-UHFFFAOYSA-N 0 0 319.360 4.116 50 0 biogenic DIAARN CCSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1 ZINC000004095128 181072755 /nfs/dbraw/zinc/07/27/55/181072755.db2.gz UEWAQCDIPUULSX-UHFFFAOYSA-N 0 0 316.813 4.490 50 0 DIAARN Cc1ncsc1C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C ZINC000004106869 181073943 /nfs/dbraw/zinc/07/39/43/181073943.db2.gz ZIXRWTTVYMUKNL-JTQLQIEISA-N 0 0 300.427 4.489 50 0 DIAARN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)C2(CCCCCC2)O1 ZINC000004108179 181074237 /nfs/dbraw/zinc/07/42/37/181074237.db2.gz LCHUXEFIYYSUQH-CYBMUJFWSA-N 0 0 306.381 4.129 50 0 DIAARN C[C@H]1CN(C(=O)Nc2ccc(F)cc2)C2(CCCCCC2)O1 ZINC000004108194 181074339 /nfs/dbraw/zinc/07/43/39/181074339.db2.gz LCHUXEFIYYSUQH-ZDUSSCGKSA-N 0 0 306.381 4.129 50 0 DIAARN CCCc1ccc(C(=O)NCc2ccccc2-n2cccc2)cc1 ZINC000004054800 181067422 /nfs/dbraw/zinc/06/74/22/181067422.db2.gz SQSQFDRQGOWPMX-UHFFFAOYSA-N 0 0 318.420 4.360 50 0 DIAARN Cc1ccc(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)cc1 ZINC000004057824 181067484 /nfs/dbraw/zinc/06/74/84/181067484.db2.gz WLCCBPXXWAARAK-OAHLLOKOSA-N 0 0 306.365 4.391 50 0 DIAARN Cc1cccc(C(=O)Nc2nnc(-c3ccccc3C)s2)c1 ZINC000004070349 181068427 /nfs/dbraw/zinc/06/84/27/181068427.db2.gz ZNBLVMZSGYDGQF-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CCCCC(=O)Nc1nnc(-c2c(C)cc(C)cc2C)s1 ZINC000004070325 181068444 /nfs/dbraw/zinc/06/84/44/181068444.db2.gz IQCNKLXHWJMCKU-UHFFFAOYSA-N 0 0 303.431 4.259 50 0 DIAARN Cc1cc(C)c(-c2nnc(NC(=O)C(C)(C)C)s2)c(C)c1 ZINC000004070329 181068768 /nfs/dbraw/zinc/06/87/68/181068768.db2.gz OVAMSAGPVUYDIW-UHFFFAOYSA-N 0 0 303.431 4.115 50 0 DIAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1 ZINC000004063150 181069031 /nfs/dbraw/zinc/06/90/31/181069031.db2.gz JMDWRSXOOKZTAC-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 aggregator DIAARN O=C(Nc1ccccc1F)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004078867 181070181 /nfs/dbraw/zinc/07/01/81/181070181.db2.gz OCXMMUQBABDNMK-UHFFFAOYSA-N 0 0 319.335 4.309 50 0 DIAARN CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000004079544 181070360 /nfs/dbraw/zinc/07/03/60/181070360.db2.gz TWXMDVGGDKBQMO-UHFFFAOYSA-N 0 0 316.426 4.061 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OCC ZINC000004177190 181082485 /nfs/dbraw/zinc/08/24/85/181082485.db2.gz IPOXNDKFZFESKK-UHFFFAOYSA-N 0 0 313.397 4.353 50 0 DIAARN Cc1cc2cc(CNC(=O)CCCc3ccccc3)ccc2[nH]1 ZINC000004138115 181077806 /nfs/dbraw/zinc/07/78/06/181077806.db2.gz SMCYFQRZGHGFJH-UHFFFAOYSA-N 0 0 306.409 4.115 50 0 DIAARN Cc1nnc(SCc2ccccc2F)n1-c1ccccc1C ZINC000004145816 181079063 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181099099 /nfs/dbraw/zinc/09/90/99/181099099.db2.gz UMVHOYWQCVOYQO-MJGOQNOKSA-N 0 0 324.811 4.210 50 0 DIAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1Cc1ccccc1 ZINC000004336078 181099150 /nfs/dbraw/zinc/09/91/50/181099150.db2.gz SRYDKGCVEBIMLP-UHFFFAOYSA-N 0 0 321.763 4.289 50 0 DIAARN O=C(COC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000004332586 181099193 /nfs/dbraw/zinc/09/91/93/181099193.db2.gz NWBNLYCLLJNACC-UHFFFAOYSA-N 0 0 320.300 4.219 50 0 DIAARN Clc1ccc(CSC2=NN[C@H](c3ccccn3)S2)cc1 ZINC000004365823 181102899 /nfs/dbraw/zinc/10/28/99/181102899.db2.gz WYHSUJVXWKALFN-ZDUSSCGKSA-N 0 0 321.858 4.274 50 0 DIAARN CC(=O)C1=NN(c2ccccc2)[C@@H]2c3cccc4cccc(c34)[C@H]12 ZINC000004334982 181099495 /nfs/dbraw/zinc/09/94/95/181099495.db2.gz OPLUJDQPTDLYSU-TZIWHRDSSA-N 0 0 312.372 4.443 50 0 DIAARN Clc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1 ZINC000004358281 181101637 /nfs/dbraw/zinc/10/16/37/181101637.db2.gz QIPHDQIQTBKYLF-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(F)cc2)cc1 ZINC000004354955 181101830 /nfs/dbraw/zinc/10/18/30/181101830.db2.gz HICUZKOFJCXILL-UHFFFAOYSA-N 0 0 319.343 4.007 50 0 DIAARN COc1ccc([C@H]2CN=N[C@@]23CCCc2ccccc2C3=O)cc1 ZINC000004419773 181108857 /nfs/dbraw/zinc/10/88/57/181108857.db2.gz SWFAVGSRKWPYGE-QUCCMNQESA-N 0 0 320.392 4.203 50 0 DIAARN COc1ccc([C@@H]2CN=N[C@]23CCCc2ccccc2C3=O)cc1 ZINC000004419774 181109002 /nfs/dbraw/zinc/10/90/02/181109002.db2.gz SWFAVGSRKWPYGE-AZUAARDMSA-N 0 0 320.392 4.203 50 0 DIAARN COCCC[C@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000182370726 199427681 /nfs/dbraw/zinc/42/76/81/199427681.db2.gz DBCYQTXEKBTZRH-BBRMVZONSA-N 0 0 309.837 4.066 50 0 DIAARN COc1ccc2c3c(c(=O)oc2c1OCC=C(C)C)CCCC3 ZINC000004387904 181105685 /nfs/dbraw/zinc/10/56/85/181105685.db2.gz YLYFXMRIQFDYOZ-UHFFFAOYSA-N 0 0 314.381 4.025 50 0 biogenic DIAARN Clc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000004541745 181121666 /nfs/dbraw/zinc/12/16/66/181121666.db2.gz XKDKQUBPJFYAPO-UHFFFAOYSA-N 0 0 324.811 4.392 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2ccc(F)cc2F)c1Cl ZINC000004542761 181122480 /nfs/dbraw/zinc/12/24/80/181122480.db2.gz ILJTXUBADOSHTJ-VMPITWQZSA-N 0 0 323.726 4.279 50 0 DIAARN COc1ccc(CCC(=O)Nc2ccccc2C)cc1Cl ZINC000004542185 181122528 /nfs/dbraw/zinc/12/25/28/181122528.db2.gz UWWMORNRWGPSET-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN CCCOc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000004545067 181122564 /nfs/dbraw/zinc/12/25/64/181122564.db2.gz PKHNTKSRLDIYJA-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN CCOC(=O)c1nn(-c2cccc(C)c2C)cc1-c1ccccc1 ZINC000004542266 181122589 /nfs/dbraw/zinc/12/25/89/181122589.db2.gz PHYCNCOATSRHAJ-UHFFFAOYSA-N 0 0 320.392 4.333 50 0 DIAARN Cc1ccc(C)c(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)c1 ZINC000004479484 181113073 /nfs/dbraw/zinc/11/30/73/181113073.db2.gz MBNZTNMXQYBSLS-ZHACJKMWSA-N 0 0 319.364 4.005 50 0 DIAARN CC(C)(C)c1csc(NC(=O)CSc2ccc(F)cc2)n1 ZINC000004496728 181114909 /nfs/dbraw/zinc/11/49/09/181114909.db2.gz FGYZLQBOGLHRLC-UHFFFAOYSA-N 0 0 324.446 4.311 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)NCc3ccco3)o2)cc1Cl ZINC000004504569 181116980 /nfs/dbraw/zinc/11/69/80/181116980.db2.gz NIFKWOPZZTVZMR-UHFFFAOYSA-N 0 0 315.756 4.431 50 0 DIAARN Cc1ccc(N2N=C(c3ccncc3)C[C@@H]2c2ccco2)cc1 ZINC000004566709 181125388 /nfs/dbraw/zinc/12/53/88/181125388.db2.gz JJQOAQZCJDICJO-GOSISDBHSA-N 0 0 303.365 4.339 50 0 DIAARN COc1ccc(N(C(=O)Nc2cccc(C)c2)C2=NCCC2)cc1 ZINC000004570559 181126256 /nfs/dbraw/zinc/12/62/56/181126256.db2.gz WANQHOXBHLWTLJ-UHFFFAOYSA-N 0 0 323.396 4.234 50 0 DIAARN COC1(c2ccccc2)c2ccccc2C(=O)c2ccccc21 ZINC000004578464 181126830 /nfs/dbraw/zinc/12/68/30/181126830.db2.gz WRFHGKCIQVXQCG-UHFFFAOYSA-N 0 0 300.357 4.169 50 0 DIAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3)C(=O)O2)cc1 ZINC000004611436 181129417 /nfs/dbraw/zinc/12/94/17/181129417.db2.gz ILZIZVHRBVSUAY-LGMDPLHJSA-N 0 0 305.377 4.329 50 0 DIAARN C[C@@]12CCc3ccccc3[C@]1(C)N(Cc1ccccc1)C(=O)O2 ZINC000004654052 181132515 /nfs/dbraw/zinc/13/25/15/181132515.db2.gz JLRBDLSMFZOAJI-UXHICEINSA-N 0 0 307.393 4.259 50 0 DIAARN Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)n1 ZINC000004663386 181133683 /nfs/dbraw/zinc/13/36/83/181133683.db2.gz HHZJIGACBACSGV-UHFFFAOYSA-N 0 0 318.804 4.150 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1Cl ZINC000004673049 181134614 /nfs/dbraw/zinc/13/46/14/181134614.db2.gz MJSIUPOGINLOMQ-UHFFFAOYSA-N 0 0 307.802 4.323 50 0 DIAARN CC1=C(C)[C@@H](Nc2ccc(C)cc2F)N(Cc2ccccc2)C1=O ZINC000004672728 181134739 /nfs/dbraw/zinc/13/47/39/181134739.db2.gz PDLFNNUNVADDST-IBGZPJMESA-N 0 0 324.399 4.251 50 0 DIAARN CCc1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000004673103 181134792 /nfs/dbraw/zinc/13/47/92/181134792.db2.gz ZSTUTJARVVTXKZ-UHFFFAOYSA-N 0 0 310.397 4.096 50 0 DIAARN CCc1cc(-c2n[nH]cc2-c2ccc(F)cc2)c(O)cc1OC ZINC000004647979 181131457 /nfs/dbraw/zinc/13/14/57/181131457.db2.gz OVIRPMDUVJLGGY-UHFFFAOYSA-N 0 0 312.344 4.159 50 0 DIAARN CCOc1ccc(/C=C\C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000004646420 181131583 /nfs/dbraw/zinc/13/15/83/181131583.db2.gz QXOBDQCKYXLLLA-WVUXNXBLSA-N 0 0 307.393 4.076 50 0 DIAARN C[C@H]1[C@H](NC(=O)/C=C/c2c(F)cccc2Cl)CCC[C@@H]1C ZINC000004652580 181131964 /nfs/dbraw/zinc/13/19/64/181131964.db2.gz CRIVOBJCBMEMDD-LJVCWSNESA-N 0 0 309.812 4.433 50 0 DIAARN FC(F)(F)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccnn21 ZINC000004652232 181132091 /nfs/dbraw/zinc/13/20/91/181132091.db2.gz PAMJYOLHRIDEGE-UHFFFAOYSA-N 0 0 321.346 4.216 50 0 DIAARN CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000004696339 181138530 /nfs/dbraw/zinc/13/85/30/181138530.db2.gz YFNGKCSIBQYZFI-SECBINFHSA-N 0 0 309.822 4.347 50 0 DIAARN CCSc1ccccc1C(=O)Nc1nnc(C(C)C)s1 ZINC000004696330 181138659 /nfs/dbraw/zinc/13/86/59/181138659.db2.gz VXZFOKIYFRRRNY-UHFFFAOYSA-N 0 0 307.444 4.026 50 0 DIAARN COc1cc(C)ccc1OCCCOc1ccccc1C(C)=O ZINC000004701940 181139135 /nfs/dbraw/zinc/13/91/35/181139135.db2.gz WAJWXOYEKWRBRK-UHFFFAOYSA-N 0 0 314.381 4.054 50 0 DIAARN Brc1ccc(CN2CCC(c3ccccc3)=N2)cc1 ZINC000004691497 181137015 /nfs/dbraw/zinc/13/70/15/181137015.db2.gz ADQKJIUIWZJQIN-UHFFFAOYSA-N 0 0 315.214 4.059 50 0 DIAARN O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1ccco1 ZINC000004692995 181137730 /nfs/dbraw/zinc/13/77/30/181137730.db2.gz QXZNMZLNFXWDJA-AQTBWJFISA-N 0 0 315.328 4.291 50 0 DIAARN Cc1ccc(C2=N/C(=C\c3ccc4ccccc4c3)C(=O)O2)cc1 ZINC000004714075 181141172 /nfs/dbraw/zinc/14/11/72/181141172.db2.gz NGKXGSJZKZTKJK-UYRXBGFRSA-N 0 0 313.356 4.493 50 0 DIAARN CO[C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000004723970 181142199 /nfs/dbraw/zinc/14/21/99/181142199.db2.gz RVGRHVRRAIIEDT-CQSZACIVSA-N 0 0 310.180 4.320 50 0 DIAARN CCC(CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000004723572 181142231 /nfs/dbraw/zinc/14/22/31/181142231.db2.gz UMMPPUOLLCJUML-VIFPVBQESA-N 0 0 304.217 4.066 50 0 DIAARN O=C(COC(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000004724024 181142346 /nfs/dbraw/zinc/14/23/46/181142346.db2.gz COEGTMVVBHGREQ-UHFFFAOYSA-N 0 0 308.308 4.019 50 0 DIAARN CCCCCc1nnc(NC(=O)c2cccc(Cl)c2)s1 ZINC000004723904 181142398 /nfs/dbraw/zinc/14/23/98/181142398.db2.gz VEBOSIRVAGUYQM-UHFFFAOYSA-N 0 0 309.822 4.177 50 0 DIAARN Cc1cccc(Nc2c(-c3ccc(O)cc3)nc3ncccn32)c1 ZINC000004734141 181144623 /nfs/dbraw/zinc/14/46/23/181144623.db2.gz TZUHTYIMCNBSJD-UHFFFAOYSA-N 0 0 316.364 4.154 50 0 DIAARN O=C(Nc1cccnc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004774182 181150143 /nfs/dbraw/zinc/15/01/43/181150143.db2.gz AAXKEJDNBMXEMP-UHFFFAOYSA-N 0 0 315.682 4.398 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000004775589 181150521 /nfs/dbraw/zinc/15/05/21/181150521.db2.gz JFQMKCWPZYHJAE-GFCCVEGCSA-N 0 0 323.314 4.420 50 0 DIAARN COc1ccc(/C=C(/C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000004819335 181156167 /nfs/dbraw/zinc/15/61/67/181156167.db2.gz SGLJBCSWJNBQTL-NBVRZTHBSA-N 0 0 309.409 4.151 50 0 DIAARN CCN(c1ccccc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000004821046 181156756 /nfs/dbraw/zinc/15/67/56/181156756.db2.gz LIUIXHNCIVIXHK-UHFFFAOYSA-N 0 0 317.454 4.135 50 0 DIAARN O[C@H](C1=C/C(=C\c2ccncc2)c2ccccc21)c1ccncc1 ZINC000004824118 181157359 /nfs/dbraw/zinc/15/73/59/181157359.db2.gz JTMFJLXJCCVSIM-ZDJZVTAXSA-N 0 0 312.372 4.148 50 0 in-vitro DIAARN O=C(NC1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 ZINC000004830000 181158333 /nfs/dbraw/zinc/15/83/33/181158333.db2.gz MTNHULRSYCAQMV-UHFFFAOYSA-N 0 0 313.485 4.144 50 0 DIAARN COc1ccc(C(F)(F)F)cc1NC(=O)c1cccs1 ZINC000004839292 181160715 /nfs/dbraw/zinc/16/07/15/181160715.db2.gz LGKXLLPNYOQLFW-UHFFFAOYSA-N 0 0 301.289 4.028 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000004841717 181161199 /nfs/dbraw/zinc/16/11/99/181161199.db2.gz CKBWOIIHIKXMDM-UHFFFAOYSA-N 0 0 322.177 4.403 50 0 DIAARN CCc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000004841990 181161510 /nfs/dbraw/zinc/16/15/10/181161510.db2.gz MEYKYXGZOOAUHN-UHFFFAOYSA-N 0 0 319.788 4.172 50 0 DIAARN CCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000004844427 181162080 /nfs/dbraw/zinc/16/20/80/181162080.db2.gz WDWGJKXRPSUNEE-FMIVXFBMSA-N 0 0 310.784 4.240 50 0 DIAARN CCC(=O)Oc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000004842597 181162087 /nfs/dbraw/zinc/16/20/87/181162087.db2.gz BPHBJCIBAPOFKQ-UHFFFAOYSA-N 0 0 308.337 4.027 50 0 DIAARN CC[C@@H](C)N1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O ZINC000004845694 181162412 /nfs/dbraw/zinc/16/24/12/181162412.db2.gz XZPFXOLNRBONQF-ZJQKUHDVSA-N 0 0 301.411 4.468 50 0 DIAARN CC(=O)Oc1ccc(/C=C/c2nc3ccccc3nc2Cl)cc1 ZINC000004860638 181164350 /nfs/dbraw/zinc/16/43/50/181164350.db2.gz SNJRQWUFFBZRRS-DHZHZOJOSA-N 0 0 324.767 4.379 50 0 DIAARN COc1ccc(OC)c(NC(=O)Nc2ccccc2Cl)c1 ZINC000004857938 181164677 /nfs/dbraw/zinc/16/46/77/181164677.db2.gz XPCRZVZUXJXJAF-UHFFFAOYSA-N 0 0 306.749 4.001 50 0 DIAARN Cc1ccc2cccc(OCc3nnc(-c4ccccc4)o3)c2n1 ZINC000004865935 181164991 /nfs/dbraw/zinc/16/49/91/181164991.db2.gz WRNAVJCZTCAJKI-UHFFFAOYSA-N 0 0 317.348 4.172 50 0 DIAARN Cc1noc(C)c1COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004890159 181168874 /nfs/dbraw/zinc/16/88/74/181168874.db2.gz IVCKZOVDFLDHGB-UHFFFAOYSA-N 0 0 324.380 4.009 50 0 DIAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1ccccc1 ZINC000004905210 181170764 /nfs/dbraw/zinc/17/07/64/181170764.db2.gz CTILCBOYBDHMRF-UHFFFAOYSA-N 0 0 323.465 4.314 50 0 DIAARN CCc1cc(Br)ccc1NC(=O)/C=C/c1ccco1 ZINC000004904881 181170922 /nfs/dbraw/zinc/17/09/22/181170922.db2.gz CYAMQKHKKXQIBD-SOFGYWHQSA-N 0 0 320.186 4.256 50 0 DIAARN Cc1ccccc1Nc1c(-c2ccccc2)nc2ncccn21 ZINC000004903136 181170994 /nfs/dbraw/zinc/17/09/94/181170994.db2.gz PBFABRVIOVDPDY-UHFFFAOYSA-N 0 0 300.365 4.448 50 0 DIAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000004868938 181166287 /nfs/dbraw/zinc/16/62/87/181166287.db2.gz QZEAUXUURIBGDT-CYBMUJFWSA-N 0 0 311.381 4.224 50 0 DIAARN Cc1nc2ccc(C(=O)O[C@H](C)c3ccccc3)cc2nc1C ZINC000004869004 181166371 /nfs/dbraw/zinc/16/63/71/181166371.db2.gz NHWLLCVXKMVUDF-CQSZACIVSA-N 0 0 306.365 4.165 50 0 DIAARN CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(F)cc1)=NO2 ZINC000004871586 181167409 /nfs/dbraw/zinc/16/74/09/181167409.db2.gz MTIUZVHFMVQNMK-IBGZPJMESA-N 0 0 310.372 4.074 50 0 DIAARN Cc1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccco1 ZINC000004914417 181172160 /nfs/dbraw/zinc/17/21/60/181172160.db2.gz ZNHFTBMXBLJNHU-LJQANCHMSA-N 0 0 318.376 4.355 50 0 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AVQZNPLKFBYRHU-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN C[C@@H]1CC(=O)N(Cc2ccccc2F)c2ccccc2S1 ZINC000005052691 181197751 /nfs/dbraw/zinc/19/77/51/181197751.db2.gz LROOGYIVOMDAJN-GFCCVEGCSA-N 0 0 301.386 4.243 50 0 DIAARN C[C@@H](CNC(=O)c1csc2c1CC[C@H](C)C2)c1ccccc1 ZINC000005070209 181200329 /nfs/dbraw/zinc/20/03/29/181200329.db2.gz IQUVBIQEFIRHCY-KBPBESRZSA-N 0 0 313.466 4.406 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1ccccc1 ZINC000005062645 181199171 /nfs/dbraw/zinc/19/91/71/181199171.db2.gz NVIVHVYLYCEBOP-LPHOPBHVSA-N 0 0 323.436 4.427 50 0 DIAARN CCc1nc(C)c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000077487880 191724687 /nfs/dbraw/zinc/72/46/87/191724687.db2.gz WXIZKBFQMNEDNM-HNNXBMFYSA-N 0 0 316.376 4.052 50 0 DIAARN COc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1 ZINC000005094428 181203362 /nfs/dbraw/zinc/20/33/62/181203362.db2.gz FLVZGHQJQDQDTJ-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN COC(=O)c1cc2oc3ccccc3c2n1Cc1cccc(F)c1 ZINC000005135120 181207693 /nfs/dbraw/zinc/20/76/93/181207693.db2.gz ACYZUFLIIHELAG-UHFFFAOYSA-N 0 0 323.323 4.362 50 0 DIAARN CC(C)c1nc(C[S@](=O)Cc2ccc(Cl)s2)cs1 ZINC000078394573 191856510 /nfs/dbraw/zinc/85/65/10/191856510.db2.gz IGACBDPYEQTXAS-GOSISDBHSA-N 0 0 319.904 4.430 50 0 DIAARN CCCc1cc(=O)[nH]c(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000005182280 181213819 /nfs/dbraw/zinc/21/38/19/181213819.db2.gz PSELNLFKCJSHLB-UHFFFAOYSA-N 0 0 316.470 4.312 50 0 DIAARN Cc1ccccc1C[S@@](=O)Cc1cccc(OC(F)F)c1 ZINC000078555963 191885113 /nfs/dbraw/zinc/88/51/13/191885113.db2.gz VWZOKFFORPVHPU-OAQYLSRUSA-N 0 0 310.365 4.045 50 0 DIAARN Cc1c(O)ccc2c(CSc3ccc(F)cc3)cc(=O)oc12 ZINC000005204075 181216387 /nfs/dbraw/zinc/21/63/87/181216387.db2.gz NJLFFJYWICDKDF-UHFFFAOYSA-N 0 0 316.353 4.238 50 0 DIAARN CCc1nc2c3ccccc3oc2c(Nc2ccc(O)cc2)n1 ZINC000005215499 181217562 /nfs/dbraw/zinc/21/75/62/181217562.db2.gz MTLVPEJAQVGQPO-UHFFFAOYSA-N 0 0 305.337 4.388 50 0 DIAARN C[C@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)C1CCCC1 ZINC000078657678 191905897 /nfs/dbraw/zinc/90/58/97/191905897.db2.gz SBTCLVDIHUYVQN-SNVBAGLBSA-N 0 0 306.349 4.124 50 0 DIAARN CCn1cc(NC(=O)NCCCc2ccccc2)c2ccccc21 ZINC000005266078 181224272 /nfs/dbraw/zinc/22/42/72/181224272.db2.gz OJBZVHJZSDWQEE-UHFFFAOYSA-N 0 0 321.424 4.416 50 0 DIAARN CC(C)Sc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005243332 181220780 /nfs/dbraw/zinc/22/07/80/181220780.db2.gz HOLCYBRESWUKSV-UHFFFAOYSA-N 0 0 314.454 4.495 50 0 DIAARN CC(C)C[C@@H]1SCC(=O)Nc2c1cnn2-c1ccc(F)cc1 ZINC000079494136 191943257 /nfs/dbraw/zinc/94/32/57/191943257.db2.gz BQTVAWLVZMWBHA-AWEZNQCLSA-N 0 0 319.405 4.433 50 0 DIAARN O=C(Nc1ccc(-n2cccc2)cc1)c1ccc2cc[nH]c2c1 ZINC000079493815 191943322 /nfs/dbraw/zinc/94/33/22/191943322.db2.gz SHRDOGHPYFHGRR-UHFFFAOYSA-N 0 0 301.349 4.211 50 0 DIAARN Cc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c(C)c1 ZINC000005264451 181223551 /nfs/dbraw/zinc/22/35/51/181223551.db2.gz ARXPCQNGMASGBT-UHFFFAOYSA-N 0 0 323.421 4.003 50 0 DIAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccn1 ZINC000005269620 181225161 /nfs/dbraw/zinc/22/51/61/181225161.db2.gz CJXZIYCRDBCIFO-UHFFFAOYSA-N 0 0 322.795 4.254 50 0 DIAARN Cc1c2c(nn1-c1nc(-c3ccc(F)cc3)cs1)CCCC2 ZINC000005274967 181225752 /nfs/dbraw/zinc/22/57/52/181225752.db2.gz DVPZPWNNFJGFMV-UHFFFAOYSA-N 0 0 313.401 4.322 50 0 DIAARN CC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc21 ZINC000005288086 181226574 /nfs/dbraw/zinc/22/65/74/181226574.db2.gz RCYKXKBZRNWHTO-NSHDSACASA-N 0 0 314.435 4.428 50 0 DIAARN C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC1CCCC1 ZINC000005297562 181227597 /nfs/dbraw/zinc/22/75/97/181227597.db2.gz JPGCWJFWERDYAF-LLVKDONJSA-N 0 0 320.483 4.101 50 0 DIAARN O=C(Nc1cnc2ccccc2c1)c1cc2cc(F)ccc2[nH]1 ZINC000005305154 181228441 /nfs/dbraw/zinc/22/84/41/181228441.db2.gz XSHSXYIKNGGLQQ-UHFFFAOYSA-N 0 0 305.312 4.108 50 0 DIAARN Cc1cccc(Cc2cnc(NC(=O)C3CCCC3)s2)c1 ZINC000005423068 181242172 /nfs/dbraw/zinc/24/21/72/181242172.db2.gz JCWPOFYSHGGOSX-UHFFFAOYSA-N 0 0 300.427 4.171 50 0 DIAARN CC(C)c1ccccc1Oc1nc2ccccc2n2cnnc12 ZINC000005425675 181242292 /nfs/dbraw/zinc/24/22/92/181242292.db2.gz RXIQWIJYPGLZIX-UHFFFAOYSA-N 0 0 304.353 4.193 50 0 DIAARN Fc1cccc(Cl)c1COc1ccc(-c2nnco2)cc1 ZINC000005429289 181242815 /nfs/dbraw/zinc/24/28/15/181242815.db2.gz WXNRLZIHMBIZJG-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1cccc(C)c1)C2 ZINC000005451220 181244909 /nfs/dbraw/zinc/24/49/09/181244909.db2.gz ILAMYCQZKFKPNW-QGZVFWFLSA-N 0 0 316.404 4.402 50 0 DIAARN Cc1cc(OCC(=O)NC2CCCC2)c(C(C)C)cc1Cl ZINC000005453745 181245834 /nfs/dbraw/zinc/24/58/34/181245834.db2.gz IRTDSSGBCITDBP-UHFFFAOYSA-N 0 0 309.837 4.209 50 0 DIAARN O=Nc1c(-c2ccccc2)nc2ccc(Br)cn21 ZINC000005532058 181254486 /nfs/dbraw/zinc/25/44/86/181254486.db2.gz AUGGZSUCWOMOPO-UHFFFAOYSA-N 0 0 302.131 4.162 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000005546026 181255267 /nfs/dbraw/zinc/25/52/67/181255267.db2.gz AARIBYDYSSRQAV-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 ZINC000005557284 181256735 /nfs/dbraw/zinc/25/67/35/181256735.db2.gz QKDRGRUDSJPPKT-UHFFFAOYSA-N 0 0 323.358 4.404 50 0 DIAARN CC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000005557497 181256741 /nfs/dbraw/zinc/25/67/41/181256741.db2.gz NJBFIFPHJBDITA-UHFFFAOYSA-N 0 0 321.298 4.089 50 0 DIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1 ZINC000005509004 181251095 /nfs/dbraw/zinc/25/10/95/181251095.db2.gz FNZXNCPUNGHMCJ-UHFFFAOYSA-N 0 0 316.404 4.034 50 0 in-vivo DIAARN Cc1cccc2c(CCNC(=O)c3ccc(Cl)cc3)c[nH]c21 ZINC000005509077 181251226 /nfs/dbraw/zinc/25/12/26/181251226.db2.gz ILKWXUSYXHCDOA-UHFFFAOYSA-N 0 0 312.800 4.102 50 0 DIAARN CCc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 ZINC000005579038 181260038 /nfs/dbraw/zinc/26/00/38/181260038.db2.gz VZOAKSPZUAEBIB-UHFFFAOYSA-N 0 0 309.394 4.020 50 0 DIAARN COc1ccc(-n2cc(-c3ccc(Cl)cc3)sc2=N)cc1 ZINC000005570198 181258333 /nfs/dbraw/zinc/25/83/33/181258333.db2.gz JMTBVPVQFZTNNN-UHFFFAOYSA-N 0 0 316.813 4.347 50 0 DIAARN COc1nc2ccccc2cc1-c1noc(-c2cccc(C)c2)n1 ZINC000005576890 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CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736438 182140976 /nfs/dbraw/zinc/14/09/76/182140976.db2.gz PXZWOKCAIIBRLS-UHFFFAOYSA-N 0 0 318.804 4.063 50 0 DIAARN Nc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000019736700 182140980 /nfs/dbraw/zinc/14/09/80/182140980.db2.gz JZKAUPOOCCXUIS-UHFFFAOYSA-N 0 0 315.587 4.481 50 0 DIAARN COc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1 ZINC000019737703 182141441 /nfs/dbraw/zinc/14/14/41/182141441.db2.gz HJVBWRWWPHANPL-UHFFFAOYSA-N 0 0 312.196 4.493 50 0 DIAARN Cc1nn(-c2cccc(Cl)c2)c2ncc(Br)cc12 ZINC000019807292 182152796 /nfs/dbraw/zinc/15/27/96/182152796.db2.gz NRFCSKNMYIEGHM-UHFFFAOYSA-N 0 0 322.593 4.145 50 0 DIAARN Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2cccc(Cl)c2)s1 ZINC000019927562 182165042 /nfs/dbraw/zinc/16/50/42/182165042.db2.gz PFXYOOGPKLQLML-ZANVPECISA-N 0 0 324.858 4.272 50 0 DIAARN CCc1nnc2c3ccccc3nc(Nc3ccc(C)cc3C)n12 ZINC000020177959 182194627 /nfs/dbraw/zinc/19/46/27/182194627.db2.gz VQZMDGSKVITAIN-UHFFFAOYSA-N 0 0 317.396 4.200 50 0 DIAARN CCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020136648 182190688 /nfs/dbraw/zinc/19/06/88/182190688.db2.gz WKIKAXLUPOLBEW-UHFFFAOYSA-N 0 0 301.386 4.266 50 0 DIAARN FC(F)(F)c1nccc(Oc2cccc(Br)c2)n1 ZINC000020358026 182211147 /nfs/dbraw/zinc/21/11/47/182211147.db2.gz IGTMJTBSYMLYBV-UHFFFAOYSA-N 0 0 319.080 4.050 50 0 DIAARN c1csc(-c2cccc(-c3ccn(Cc4ccccn4)n3)c2)n1 ZINC000020452735 182218797 /nfs/dbraw/zinc/21/87/97/182218797.db2.gz ITBHDSMKFMTCBG-UHFFFAOYSA-N 0 0 318.405 4.117 50 0 DIAARN Cc1cccc2c1cnn2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020464464 182221105 /nfs/dbraw/zinc/22/11/05/182221105.db2.gz QBTFPQLTDQXDIH-UHFFFAOYSA-N 0 0 319.286 4.444 50 0 DIAARN Cc1nnc2c3ccccc3nc(NC3CCCCCCC3)n12 ZINC000020565419 182232997 /nfs/dbraw/zinc/23/29/97/182232997.db2.gz ONBKUSYFBXHJGQ-UHFFFAOYSA-N 0 0 309.417 4.111 50 0 DIAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccc1 ZINC000020486838 182223764 /nfs/dbraw/zinc/22/37/64/182223764.db2.gz HBPWIERCAWZVOX-UHFFFAOYSA-N 0 0 308.356 4.059 50 0 DIAARN CCc1ccc(N(CC)C(=O)NCc2noc3ccccc23)cc1 ZINC000020516617 182226828 /nfs/dbraw/zinc/22/68/28/182226828.db2.gz GFHLOLLGEROKRJ-UHFFFAOYSA-N 0 0 323.396 4.126 50 0 DIAARN CCC(=O)c1ccc(OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000020572849 182234261 /nfs/dbraw/zinc/23/42/61/182234261.db2.gz BKUHEJPHYUNYMQ-UHFFFAOYSA-N 0 0 302.757 4.194 50 0 DIAARN CCn1ncc2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC000020615843 182239517 /nfs/dbraw/zinc/23/95/17/182239517.db2.gz ANDIIBXDRZXGSI-UHFFFAOYSA-N 0 0 321.302 4.146 50 0 DIAARN O=C(Cn1ccc2ccc(F)cc21)Nc1ccccc1Cl ZINC000020714792 182243282 /nfs/dbraw/zinc/24/32/82/182243282.db2.gz XPHSTVBAYJGVKR-UHFFFAOYSA-N 0 0 302.736 4.073 50 0 DIAARN O=C1C[C@H](c2ccccc2OCc2ccccc2)c2c[nH]nc2N1 ZINC000020730813 182244386 /nfs/dbraw/zinc/24/43/86/182244386.db2.gz OYOPLICHMBEKAL-OAHLLOKOSA-N 0 0 319.364 4.112 50 0 DIAARN CCC(=O)Nc1ccc(C)cc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020598221 182236471 /nfs/dbraw/zinc/23/64/71/182236471.db2.gz ODNXKCZTHQDDRO-UHFFFAOYSA-N 0 0 305.381 4.401 50 0 DIAARN Cc1nn(-c2ccccc2F)c2nc(C)cc(C(F)(F)F)c12 ZINC000020605640 182237269 /nfs/dbraw/zinc/23/72/69/182237269.db2.gz QSZZSNFZMKUONI-UHFFFAOYSA-N 0 0 309.266 4.195 50 0 DIAARN Cc1cccc(-c2noc(-c3ccccc3NC(=O)C3CC3)n2)c1 ZINC000020899970 182252588 /nfs/dbraw/zinc/25/25/88/182252588.db2.gz PRJOXCGBCJOQBO-UHFFFAOYSA-N 0 0 319.364 4.061 50 0 DIAARN Cc1cc(Nc2ccc(C)c(C)c2)n2nc(-c3ccco3)nc2n1 ZINC000021042039 182263160 /nfs/dbraw/zinc/26/31/60/182263160.db2.gz AKMMFCJUXUMBDK-UHFFFAOYSA-N 0 0 319.368 4.053 50 0 DIAARN COc1ccc([C@H](CC(=O)Nc2ccccc2)n2cccc2)cc1 ZINC000020997637 182257899 /nfs/dbraw/zinc/25/78/99/182257899.db2.gz IYUZSHNOAZSTCN-IBGZPJMESA-N 0 0 320.392 4.115 50 0 DIAARN Cc1ccc(NC(=O)C[C@H](c2ccco2)n2cccc2)c(C)c1 ZINC000020997354 182258001 /nfs/dbraw/zinc/25/80/01/182258001.db2.gz ARKADIVBVUMDNF-QGZVFWFLSA-N 0 0 308.381 4.316 50 0 DIAARN Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)n1cccc1 ZINC000020998797 182259161 /nfs/dbraw/zinc/25/91/61/182259161.db2.gz IIWOXFRBDUMJFK-HXUWFJFHSA-N 0 0 318.420 4.092 50 0 DIAARN COc1ccccc1NC(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000021016319 182260424 /nfs/dbraw/zinc/26/04/24/182260424.db2.gz PFHBROJIOSEMEE-SFHVURJKSA-N 0 0 320.392 4.115 50 0 DIAARN Cc1cccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)c1 ZINC000021016315 182261047 /nfs/dbraw/zinc/26/10/47/182261047.db2.gz ZLRAKLZECUZGNN-LJQANCHMSA-N 0 0 304.393 4.415 50 0 DIAARN CCCn1c2ccccc2nc1NC(=O)c1c(C)oc(C)c1C ZINC000021126912 182265957 /nfs/dbraw/zinc/26/59/57/182265957.db2.gz ZJTZMQQWGQYAQV-UHFFFAOYSA-N 0 0 311.385 4.217 50 0 DIAARN Cc1ccccc1Cn1c2ccccc2nc1CN1CCCCC1 ZINC000021171083 182268536 /nfs/dbraw/zinc/26/85/36/182268536.db2.gz LLDSHMLXRFWZNE-UHFFFAOYSA-N 0 0 319.452 4.379 50 0 DIAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720678 182286003 /nfs/dbraw/zinc/28/60/03/182286003.db2.gz DICNETMFCNVHMU-KRWDZBQOSA-N 0 0 300.402 4.144 50 0 DIAARN CCCCOc1ccc(CN2CCC[C@H]2c2cc(C)on2)cc1 ZINC000021720302 182286280 /nfs/dbraw/zinc/28/62/80/182286280.db2.gz JTCCDNMEPFOGEA-IBGZPJMESA-N 0 0 314.429 4.499 50 0 DIAARN CCOc1ccc(NC(=O)c2ncoc2-c2cccs2)cc1 ZINC000021641772 182281953 /nfs/dbraw/zinc/28/19/53/182281953.db2.gz QYPVPLNFHFGRDS-UHFFFAOYSA-N 0 0 314.366 4.054 50 0 DIAARN CCc1ccc(CCC(=O)Nc2cccc3cccnc32)cc1 ZINC000021653799 182282629 /nfs/dbraw/zinc/28/26/29/182282629.db2.gz BYJXOGVSGZWMGR-UHFFFAOYSA-N 0 0 304.393 4.369 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000021786628 182289244 /nfs/dbraw/zinc/28/92/44/182289244.db2.gz LDFDWIMVHWZJJO-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000021790774 182289270 /nfs/dbraw/zinc/28/92/70/182289270.db2.gz BZBWVIUWTNBXCM-OAHLLOKOSA-N 0 0 316.788 4.183 50 0 DIAARN C[C@H]1CCc2nc(NC(=O)c3ccc4ccccc4n3)sc2C1 ZINC000021797916 182289854 /nfs/dbraw/zinc/28/98/54/182289854.db2.gz YMWWCZLNAAWTEV-NSHDSACASA-N 0 0 323.421 4.068 50 0 DIAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ccccc1Cl ZINC000021791586 182290106 /nfs/dbraw/zinc/29/01/06/182290106.db2.gz QOBBEEMNKKWFFH-OAHLLOKOSA-N 0 0 316.788 4.183 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 ZINC000021895255 182296840 /nfs/dbraw/zinc/29/68/40/182296840.db2.gz SGQFCLJRANBWCD-KBPBESRZSA-N 0 0 310.441 4.165 50 0 DIAARN CC(C)OCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000021900334 182297328 /nfs/dbraw/zinc/29/73/28/182297328.db2.gz XFFSKUWTKSKBAY-UHFFFAOYSA-N 0 0 321.417 4.099 50 0 DIAARN C[C@@H]1CO[P@@](=O)([C@@H](NCc2ccccc2)c2ccccc2)O1 ZINC000022014757 182303898 /nfs/dbraw/zinc/30/38/98/182303898.db2.gz PDLSNYZPQRGGCF-SRVWHDFXSA-N 0 0 317.325 4.103 50 0 DIAARN Cc1ccoc1C(=O)N(Cc1c(C)noc1C)c1ccccc1 ZINC000022135195 182310789 /nfs/dbraw/zinc/31/07/89/182310789.db2.gz MBZSUXZBVQXECL-UHFFFAOYSA-N 0 0 310.353 4.040 50 0 DIAARN Cc1ccccc1C(=O)NC[C@@H]1Cc2cc(C(C)(C)C)ccc2O1 ZINC000022332490 182319003 /nfs/dbraw/zinc/31/90/03/182319003.db2.gz LQGRGRAFIMKSFW-KRWDZBQOSA-N 0 0 323.436 4.026 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@@H](NC(=O)[C@@H]1CC=CCC1)C3 ZINC000022331684 182319117 /nfs/dbraw/zinc/31/91/17/182319117.db2.gz RHALYAJGDMMTJM-HZPDHXFCSA-N 0 0 322.452 4.060 50 0 DIAARN CC(C)CN(C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022331342 182319134 /nfs/dbraw/zinc/31/91/34/182319134.db2.gz LWRPUNHOSYKDPF-UHFFFAOYSA-N 0 0 314.429 4.367 50 0 DIAARN C/C=C/C(=O)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000022337827 182319466 /nfs/dbraw/zinc/31/94/66/182319466.db2.gz FSRBZHNTAPTGIZ-KPUAHBEZSA-N 0 0 311.812 4.390 50 0 DIAARN O=C(NC(C1CC1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000022385253 182320265 /nfs/dbraw/zinc/32/02/65/182320265.db2.gz ZVXSMKOJBNWHKG-UHFFFAOYSA-N 0 0 305.421 4.123 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)NCC1(c2ccccc2)CC1 ZINC000022427138 182321199 /nfs/dbraw/zinc/32/11/99/182321199.db2.gz BUVWLJDPJRZIPL-MRXNPFEDSA-N 0 0 308.425 4.087 50 0 DIAARN Fc1ccc(CSc2nnc(NC3CC3)s2)c(Cl)c1 ZINC000022173675 182312053 /nfs/dbraw/zinc/31/20/53/182312053.db2.gz WDSGWDXIIVWZFQ-UHFFFAOYSA-N 0 0 315.826 4.197 50 0 DIAARN C[C@]1(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1(Cl)Cl ZINC000022192103 182312962 /nfs/dbraw/zinc/31/29/62/182312962.db2.gz RVMSTXNJZMBAOG-MRXNPFEDSA-N 0 0 320.219 4.461 50 0 DIAARN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000022552111 182326291 /nfs/dbraw/zinc/32/62/91/182326291.db2.gz JIMFQCNMAGDHGX-IPMKNSEASA-N 0 0 309.384 4.293 50 0 DIAARN CC(C)(C)c1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1 ZINC000022631938 182329166 /nfs/dbraw/zinc/32/91/66/182329166.db2.gz ZOQSHCVODDULIB-UHFFFAOYSA-N 0 0 324.380 4.162 50 0 DIAARN O=C(/C=C/c1ccc(Br)o1)NCCC1=CCCCC1 ZINC000022651204 182329811 /nfs/dbraw/zinc/32/98/11/182329811.db2.gz KBVTYAABUUTMFP-VQHVLOKHSA-N 0 0 324.218 4.062 50 0 DIAARN Cc1noc(-c2cccs2)c1C(=O)N[C@H](C)c1ccccc1 ZINC000022648865 182329849 /nfs/dbraw/zinc/32/98/49/182329849.db2.gz PDILUWQYIMIGDC-LLVKDONJSA-N 0 0 312.394 4.203 50 0 DIAARN O=C(NCC1(c2cccs2)CC1)c1c(F)cccc1Cl ZINC000022680081 182330327 /nfs/dbraw/zinc/33/03/27/182330327.db2.gz LTQPCOBKYYGYTK-UHFFFAOYSA-N 0 0 309.793 4.002 50 0 DIAARN CC(C)C(=O)Nc1ccccc1-c1nc(-c2cccs2)no1 ZINC000022462955 182321864 /nfs/dbraw/zinc/32/18/64/182321864.db2.gz OSYLEEDYPLROMX-UHFFFAOYSA-N 0 0 313.382 4.060 50 0 DIAARN COc1ccccc1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000022974483 182344129 /nfs/dbraw/zinc/34/41/29/182344129.db2.gz GRMGWBVBCRXDCC-HNNXBMFYSA-N 0 0 319.404 4.268 50 0 DIAARN Cc1cc2ncn(Cc3coc(-c4cccs4)n3)c2cc1C ZINC000022818041 182336157 /nfs/dbraw/zinc/33/61/57/182336157.db2.gz AMYLEGWEJATVEN-UHFFFAOYSA-N 0 0 309.394 4.418 50 0 DIAARN CC(C)CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022878419 182339009 /nfs/dbraw/zinc/33/90/09/182339009.db2.gz POKVKTPFMNBJAC-ZFAMOUDISA-N 0 0 319.448 4.446 50 0 DIAARN CCCn1ccnc1SCC(=O)c1c(C)[nH]c2ccccc21 ZINC000023295567 182356153 /nfs/dbraw/zinc/35/61/53/182356153.db2.gz RVLQCNXDAHWTSW-UHFFFAOYSA-N 0 0 313.426 4.058 50 0 DIAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccn2)c1 ZINC000023043541 182345668 /nfs/dbraw/zinc/34/56/68/182345668.db2.gz RNUYBZSIFZTPLD-UHFFFAOYSA-N 0 0 302.377 4.237 50 0 DIAARN C[C@@H]1CCc2sc(C(=O)Nc3nc4c(s3)CCC4)cc2C1 ZINC000023040840 182345773 /nfs/dbraw/zinc/34/57/73/182345773.db2.gz NBDHDXVZJJFFOF-SECBINFHSA-N 0 0 318.467 4.070 50 0 DIAARN Cc1ccc(C(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000023056607 182345906 /nfs/dbraw/zinc/34/59/06/182345906.db2.gz GNUOYPSBQHGUOI-UHFFFAOYSA-N 0 0 323.392 4.138 50 0 DIAARN COc1cc(F)ccc1NC(=O)c1cc2c(cccc2F)s1 ZINC000023132651 182350223 /nfs/dbraw/zinc/35/02/23/182350223.db2.gz PJIVNCDCCSNZAS-UHFFFAOYSA-N 0 0 319.332 4.440 50 0 DIAARN O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000023325087 182357169 /nfs/dbraw/zinc/35/71/69/182357169.db2.gz ZNBZZWJIBHZMCX-NSHDSACASA-N 0 0 302.374 4.244 50 0 DIAARN c1oc(-c2ccccc2)nc1COc1cccc2cccnc21 ZINC000023377396 182358282 /nfs/dbraw/zinc/35/82/82/182358282.db2.gz FXPQFFLFLMVDHP-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN C[C@H](NC(=O)CCc1ccccc1O)c1cccc2ccccc21 ZINC000023433795 182360944 /nfs/dbraw/zinc/36/09/44/182360944.db2.gz VDXXWYKUEQAOOL-HNNXBMFYSA-N 0 0 319.404 4.355 50 0 DIAARN CCOc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1OCC ZINC000023435746 182361338 /nfs/dbraw/zinc/36/13/38/182361338.db2.gz MEXADHXGHUMTGZ-LBPRGKRZSA-N 0 0 319.426 4.037 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000023625030 182364519 /nfs/dbraw/zinc/36/45/19/182364519.db2.gz YPUXIABGWTXLKJ-SNVBAGLBSA-N 0 0 320.742 4.455 50 0 DIAARN Cc1oc(-c2ccccc2)nc1CC(=O)Oc1cccc(C)c1 ZINC000024260500 182377983 /nfs/dbraw/zinc/37/79/83/182377983.db2.gz XEVVHEODCGWLFS-UHFFFAOYSA-N 0 0 307.349 4.107 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCC1=CCCCC1 ZINC000023791553 182369338 /nfs/dbraw/zinc/36/93/38/182369338.db2.gz NDUAICKYUHGADM-UHFFFAOYSA-N 0 0 323.440 4.109 50 0 DIAARN C[C@@H](Sc1nnc(-c2cccnc2)o1)c1ccc(F)cc1 ZINC000023893911 182369581 /nfs/dbraw/zinc/36/95/81/182369581.db2.gz DYMIHMNXTYZCKX-SNVBAGLBSA-N 0 0 301.346 4.124 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000023976105 182370551 /nfs/dbraw/zinc/37/05/51/182370551.db2.gz SCOLMFXCNQCHJM-YOEHRIQHSA-N 0 0 313.397 4.167 50 0 DIAARN O=C(CCCOc1ccccc1)Nc1cccc(Cl)c1F ZINC000024019982 182372384 /nfs/dbraw/zinc/37/23/84/182372384.db2.gz UNVKZIUTXXONQT-UHFFFAOYSA-N 0 0 307.752 4.277 50 0 DIAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(Cl)nc(Cl)c1 ZINC000024027583 182372692 /nfs/dbraw/zinc/37/26/92/182372692.db2.gz DQPIEPIXIBFLKJ-HNNXBMFYSA-N 0 0 321.207 4.270 50 0 DIAARN O=C(Nc1cccc2c1CCCC2)c1ccc(-n2ccnc2)cc1 ZINC000024050966 182373702 /nfs/dbraw/zinc/37/37/02/182373702.db2.gz ARVOYLDAWVSBPX-UHFFFAOYSA-N 0 0 317.392 4.003 50 0 DIAARN O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccoc1 ZINC000024756148 182389776 /nfs/dbraw/zinc/38/97/76/182389776.db2.gz VKSHOLHUSMDIOP-UHFFFAOYSA-N 0 0 319.769 4.414 50 0 DIAARN Cc1c(C(=O)Nc2ccccc2C)cnn1-c1cccc(C)c1 ZINC000024778135 182390758 /nfs/dbraw/zinc/39/07/58/182390758.db2.gz CNNANUQYGPBMRM-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN COc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 ZINC000024349230 182379617 /nfs/dbraw/zinc/37/96/17/182379617.db2.gz PGLRAWFOUUXSTC-UHFFFAOYSA-N 0 0 320.348 4.135 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000024475380 182381372 /nfs/dbraw/zinc/38/13/72/182381372.db2.gz RRFSSPXSIYIAKV-KBXCAEBGSA-N 0 0 308.425 4.366 50 0 DIAARN Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CCOc3ccccc32)c1C ZINC000024568112 182384179 /nfs/dbraw/zinc/38/41/79/182384179.db2.gz IOULPGDTBDKNCM-QGZVFWFLSA-N 0 0 320.392 4.038 50 0 DIAARN CC(C)NC(=S)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024633001 182385358 /nfs/dbraw/zinc/38/53/58/182385358.db2.gz QELRLMFJTWGIBY-SFHVURJKSA-N 0 0 324.449 4.395 50 0 DIAARN O=C(CCc1ccccc1)NCCSc1ccc(Cl)cc1 ZINC000024605954 182385392 /nfs/dbraw/zinc/38/53/92/182385392.db2.gz YQNOMTWOHALKFW-UHFFFAOYSA-N 0 0 319.857 4.181 50 0 DIAARN Cc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)n1 ZINC000024825499 182392583 /nfs/dbraw/zinc/39/25/83/182392583.db2.gz GSIQRODJWUSKEH-UHFFFAOYSA-N 0 0 303.361 4.414 50 0 DIAARN CC(C)CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000024883591 182393827 /nfs/dbraw/zinc/39/38/27/182393827.db2.gz HVAOFQKQWSAPKJ-UHFFFAOYSA-N 0 0 314.410 4.219 50 0 DIAARN Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000024960321 182396180 /nfs/dbraw/zinc/39/61/80/182396180.db2.gz QDCKGVJKJOGRTL-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN Cc1ccc(CCC(=O)Nc2cccc3cccnc32)c(C)c1 ZINC000024964604 182396349 /nfs/dbraw/zinc/39/63/49/182396349.db2.gz DVAMHQHQSJLGMJ-UHFFFAOYSA-N 0 0 304.393 4.423 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)c(C)o1 ZINC000024969666 182396968 /nfs/dbraw/zinc/39/69/68/182396968.db2.gz HZPUZUSCIXRAJA-UHFFFAOYSA-N 0 0 300.745 4.350 50 0 DIAARN Cc1ccc(/C=C\C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000098055048 193779264 /nfs/dbraw/zinc/77/92/64/193779264.db2.gz RMCBYHCYFXQCRR-HWOXTHGCSA-N 0 0 309.409 4.225 50 0 DIAARN CC(C)c1ccc([C@@H](NC(=O)C2CCOCC2)C(C)C)cc1 ZINC000026393064 182440259 /nfs/dbraw/zinc/44/02/59/182440259.db2.gz FMUDYQGIEZEZNR-SFHVURJKSA-N 0 0 303.446 4.050 50 0 DIAARN O=C(Nc1ccnn1C1CCCC1)Nc1ccccc1Cl ZINC000028247663 182516672 /nfs/dbraw/zinc/51/66/72/182516672.db2.gz MOKBIWVVDFCMRV-UHFFFAOYSA-N 0 0 304.781 4.296 50 0 DIAARN COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C ZINC000029052268 182550424 /nfs/dbraw/zinc/55/04/24/182550424.db2.gz RFTSSZJZXOSICM-GRSHGNNSSA-N 0 0 317.392 4.487 50 0 investigational DIAARN Cc1ccc(OCC(=O)Nc2ccc(C)c3ncccc23)cc1C ZINC000031092748 182606733 /nfs/dbraw/zinc/60/67/33/182606733.db2.gz BVLMQKNLBVVLTI-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN CCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1C ZINC000031112986 182607384 /nfs/dbraw/zinc/60/73/84/182607384.db2.gz VCLASHKUUCWWBY-UHFFFAOYSA-N 0 0 316.788 4.249 50 0 DIAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ncc(C)s3)s2)o1 ZINC000031228200 182609671 /nfs/dbraw/zinc/60/96/71/182609671.db2.gz HEYOPQSWDZZXOM-UHFFFAOYSA-N 0 0 319.411 4.037 50 0 DIAARN Clc1ccc(Cl)c(-c2nn3c(nnc3C3CC3)s2)c1 ZINC000032094596 182634327 /nfs/dbraw/zinc/63/43/27/182634327.db2.gz CXWZWYZCTRCZNS-UHFFFAOYSA-N 0 0 311.197 4.037 50 0 DIAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3o2)cc1C ZINC000031809266 182623982 /nfs/dbraw/zinc/62/39/82/182623982.db2.gz HBAORWHGXWHMRV-UHFFFAOYSA-N 0 0 308.381 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DIAARN CCCCC(=O)Nc1ccc(Oc2ccc(F)c(C)c2)nc1 ZINC000034840340 182740295 /nfs/dbraw/zinc/74/02/95/182740295.db2.gz JGPBUOWHPXKAMW-UHFFFAOYSA-N 0 0 302.349 4.450 50 0 DIAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)C(C)C ZINC000034913305 182743287 /nfs/dbraw/zinc/74/32/87/182743287.db2.gz RVFYVZRJLXIJNE-UHFFFAOYSA-N 0 0 311.360 4.043 50 0 DIAARN CC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCCC3 ZINC000035327054 182771371 /nfs/dbraw/zinc/77/13/71/182771371.db2.gz OFEUKKHEAMCSMO-UHFFFAOYSA-N 0 0 323.421 4.022 50 0 DIAARN CCCn1cnc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc21 ZINC000035453622 182776842 /nfs/dbraw/zinc/77/68/42/182776842.db2.gz GRYVHTJRHKIIJT-UHFFFAOYSA-N 0 0 322.343 4.302 50 0 DIAARN COc1cccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)c1 ZINC000035671976 182786087 /nfs/dbraw/zinc/78/60/87/182786087.db2.gz AZWKZEXJDCXMNX-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(C)o1 ZINC000036390756 182823263 /nfs/dbraw/zinc/82/32/63/182823263.db2.gz VZOMQSPETNCGNR-SNVBAGLBSA-N 0 0 322.202 4.150 50 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OOIMVPPTUXOJAE-UHFFFAOYSA-N 0 0 322.339 4.194 50 0 DIAARN C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000040097609 183034225 /nfs/dbraw/zinc/03/42/25/183034225.db2.gz IKSJNKBGNVIBLD-QMMMGPOBSA-N 0 0 312.266 4.126 50 0 DIAARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000040097597 183034265 /nfs/dbraw/zinc/03/42/65/183034265.db2.gz HILCABCLCRLHLY-UHFFFAOYSA-N 0 0 308.303 4.158 50 0 DIAARN COc1ccccc1CCNC(=O)Nc1cc(Cl)ccc1C ZINC000040099248 183034729 /nfs/dbraw/zinc/03/47/29/183034729.db2.gz GFTKINICBKEFPR-UHFFFAOYSA-N 0 0 318.804 4.021 50 0 DIAARN CN(Cc1ccsc1)C(=O)Nc1cccc2c1CCCC2 ZINC000040098145 183034849 /nfs/dbraw/zinc/03/48/49/183034849.db2.gz RDGABGIOUIUJSA-UHFFFAOYSA-N 0 0 300.427 4.291 50 0 DIAARN CCc1ccc(NC(=O)N(CC)Cc2cccc(F)c2)cc1 ZINC000040097940 183034915 /nfs/dbraw/zinc/03/49/15/183034915.db2.gz CIAJKZYNHLYZCO-UHFFFAOYSA-N 0 0 300.377 4.442 50 0 DIAARN COc1cccc(CNC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000040098074 183034919 /nfs/dbraw/zinc/03/49/19/183034919.db2.gz 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GWUOTRZZUQGRPI-UHFFFAOYSA-N 0 0 306.774 4.209 50 0 DIAARN CCc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478316 183076272 /nfs/dbraw/zinc/07/62/72/183076272.db2.gz RJBFAEJLFYQIDI-UHFFFAOYSA-N 0 0 309.344 4.031 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CCCc1nc(C(C)C)no1 ZINC000040515666 183088694 /nfs/dbraw/zinc/08/86/94/183088694.db2.gz ZWWCSVBQKUQKCQ-UHFFFAOYSA-N 0 0 321.808 4.116 50 0 DIAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000040525353 183092092 /nfs/dbraw/zinc/09/20/92/183092092.db2.gz SDHWUUXIOYOUBO-GFCCVEGCSA-N 0 0 300.324 4.110 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000040525390 183092105 /nfs/dbraw/zinc/09/21/05/183092105.db2.gz KGDYCFSKMRCQQD-GFCCVEGCSA-N 0 0 300.324 4.110 50 0 DIAARN Cc1cccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1C ZINC000040525352 183092172 /nfs/dbraw/zinc/09/21/72/183092172.db2.gz SDHWUUXIOYOUBO-LBPRGKRZSA-N 0 0 300.324 4.110 50 0 DIAARN Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040526404 183092811 /nfs/dbraw/zinc/09/28/11/183092811.db2.gz YXEOJMDZGSXEAH-GFCCVEGCSA-N 0 0 300.324 4.110 50 0 DIAARN CCN(C(=O)Nc1ccccc1OC)[C@H](C)c1cccc(O)c1 ZINC000040556388 183102548 /nfs/dbraw/zinc/10/25/48/183102548.db2.gz QESRAJAOVRIZPJ-CYBMUJFWSA-N 0 0 314.385 4.016 50 0 DIAARN Cc1cc(C)c2ccc(NC(=O)c3ccccc3Cl)nc2n1 ZINC000040818222 183137215 /nfs/dbraw/zinc/13/72/15/183137215.db2.gz VKBHJCNLBNTLFN-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN Fc1ccc(Br)cc1CNc1nc2ccccc2[nH]1 ZINC000041069482 183162196 /nfs/dbraw/zinc/16/21/96/183162196.db2.gz ZWZWQXYLGJDBGW-UHFFFAOYSA-N 0 0 320.165 4.077 50 0 DIAARN c1csc(C2=N[C@@H]3N=C(c4ccccc4)S[C@@H]3S2)c1 ZINC000041097572 183165319 /nfs/dbraw/zinc/16/53/19/183165319.db2.gz VQTDDZJWSUBKFQ-SMDDNHRTSA-N 0 0 302.449 4.087 50 0 DIAARN CCCc1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041122786 183168438 /nfs/dbraw/zinc/16/84/38/183168438.db2.gz HSDHLRRSYIUURE-HNNXBMFYSA-N 0 0 319.449 4.046 50 0 DIAARN Fc1cc(F)c2ncc(Br)c(Br)c2c1 ZINC000041702026 183217914 /nfs/dbraw/zinc/21/79/14/183217914.db2.gz PUCJXOCPUXUORV-UHFFFAOYSA-N 0 0 322.934 4.038 50 0 DIAARN Cc1c(C(=O)N2CCCCCCC2)sc2nc(C)nc(C)c12 ZINC000041816841 183221068 /nfs/dbraw/zinc/22/10/68/183221068.db2.gz NOTRACHMGUGAKO-UHFFFAOYSA-N 0 0 317.458 4.023 50 0 DIAARN Cc1ccc(CN[C@H](c2nccn2C)c2cccc(F)c2)c(C)c1 ZINC000042203988 183241929 /nfs/dbraw/zinc/24/19/29/183241929.db2.gz MRLGEHCQLRJUFJ-IBGZPJMESA-N 0 0 323.415 4.055 50 0 DIAARN O=C(/C=C\c1ccccc1)O[C@H](c1ccccc1)c1ccccn1 ZINC000042622218 183292245 /nfs/dbraw/zinc/29/22/45/183292245.db2.gz JPAQXNGFINDQDM-DDAIRQTISA-N 0 0 315.372 4.428 50 0 DIAARN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc2cc[nH]c2c1 ZINC000043031090 183331554 /nfs/dbraw/zinc/33/15/54/183331554.db2.gz KWLGPFXIPUSORA-NSHDSACASA-N 0 0 314.335 4.279 50 0 DIAARN O=C(Nc1cccc2cnccc21)N1CC[C@H]2CCCC[C@H]2C1 ZINC000043162319 183342346 /nfs/dbraw/zinc/34/23/46/183342346.db2.gz ZCQSAVUMBZLUAE-ZBFHGGJFSA-N 0 0 309.413 4.279 50 0 DIAARN Cc1[nH]nc2nc3ccccc3c(NCCc3ccccc3)c12 ZINC000043191050 183343760 /nfs/dbraw/zinc/34/37/60/183343760.db2.gz YQOJJMFGBNUHOE-UHFFFAOYSA-N 0 0 302.381 4.074 50 0 DIAARN CC(=O)Oc1ccc(C(=O)c2cccc(Cl)c2Cl)cc1 ZINC000043209979 183344155 /nfs/dbraw/zinc/34/41/55/183344155.db2.gz WSVHCSSYEJYAON-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN O=C(c1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000043210028 183344236 /nfs/dbraw/zinc/34/42/36/183344236.db2.gz ASHOVAKBDGRJMF-UHFFFAOYSA-N 0 0 313.553 4.473 50 0 DIAARN CC(=O)Oc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000043209987 183344561 /nfs/dbraw/zinc/34/45/61/183344561.db2.gz YYRMDSHBXDNBAG-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CCCCOc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 ZINC000043209783 183344606 /nfs/dbraw/zinc/34/46/06/183344606.db2.gz OQRLSPZBDMEJGT-UHFFFAOYSA-N 0 0 312.365 4.022 50 0 DIAARN CCOC(=O)CCCCCC(=O)c1cc(Cl)ccc1OC ZINC000043214382 183345151 /nfs/dbraw/zinc/34/51/51/183345151.db2.gz WXCACPWHCYEKTE-UHFFFAOYSA-N 0 0 312.793 4.045 50 0 DIAARN CCOC(=O)CCCCCC(=O)c1ccc(N(CC)CC)cc1 ZINC000043214362 183345207 /nfs/dbraw/zinc/34/52/07/183345207.db2.gz FERWMTNKQCKFFP-UHFFFAOYSA-N 0 0 319.445 4.229 50 0 DIAARN CC(C)Oc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000043214498 183345282 /nfs/dbraw/zinc/34/52/82/183345282.db2.gz WHNLCEQAZZZNHG-UHFFFAOYSA-N 0 0 320.429 4.226 50 0 DIAARN O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)cc1Cl ZINC000043212585 183345361 /nfs/dbraw/zinc/34/53/61/183345361.db2.gz MJJDNTVYBYWPRW-UHFFFAOYSA-N 0 0 323.175 4.270 50 0 DIAARN Fc1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1 ZINC000044091229 183395081 /nfs/dbraw/zinc/39/50/81/183395081.db2.gz VOOIDNQLKZAOLZ-UHFFFAOYSA-N 0 0 310.737 4.170 50 0 DIAARN C[C@@H](Nc1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000044874318 183445861 /nfs/dbraw/zinc/44/58/61/183445861.db2.gz APZONXIFITVFGQ-SNVBAGLBSA-N 0 0 301.296 4.188 50 0 DIAARN O=C(Nc1nc2ccccc2s1)N1CC[C@@H]1c1ccccc1 ZINC000045816986 183531070 /nfs/dbraw/zinc/53/10/70/183531070.db2.gz PCROOBZAIUGKEX-CQSZACIVSA-N 0 0 309.394 4.275 50 0 DIAARN Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)no1 ZINC000047129677 183581486 /nfs/dbraw/zinc/58/14/86/183581486.db2.gz RAANRLYDUFJLFQ-MRXNPFEDSA-N 0 0 317.364 4.175 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 ZINC000047323031 183587276 /nfs/dbraw/zinc/58/72/76/183587276.db2.gz PQSRBADXWVCRQF-CYBMUJFWSA-N 0 0 305.765 4.005 50 0 DIAARN CN(CC1CC1)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000047919618 183609187 /nfs/dbraw/zinc/60/91/87/183609187.db2.gz FMQBFHIFBMYUPI-UHFFFAOYSA-N 0 0 322.433 4.445 50 0 DIAARN Cc1noc(C)c1CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000048234706 183630470 /nfs/dbraw/zinc/63/04/70/183630470.db2.gz QZUNUJVTOZSQQQ-UHFFFAOYSA-N 0 0 321.380 4.216 50 0 DIAARN Cc1ccc(CNC(=O)CCCCC(=O)c2ccccc2)cc1 ZINC000048183367 183625408 /nfs/dbraw/zinc/62/54/08/183625408.db2.gz UOGHZWPVWFHSJB-UHFFFAOYSA-N 0 0 309.409 4.055 50 0 DIAARN O=C(Nc1cccc(-c2cnco2)c1)c1cc(Cl)ccc1F ZINC000048204948 183626924 /nfs/dbraw/zinc/62/69/24/183626924.db2.gz QUZFYJHUKCXBSC-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN CCCOc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC ZINC000048374931 183653644 /nfs/dbraw/zinc/65/36/44/183653644.db2.gz GRZDUJWLKRAHBB-LSDHHAIUSA-N 0 0 317.429 4.018 50 0 DIAARN CCCOc1ccc([C@@H](C)NC(=O)c2ccsc2)cc1OC ZINC000048501027 183663162 /nfs/dbraw/zinc/66/31/62/183663162.db2.gz JIGGSVOFKHKXDM-GFCCVEGCSA-N 0 0 319.426 4.037 50 0 DIAARN Cc1cccc(N(C)C(=O)c2ccc(Br)s2)c1 ZINC000049990815 183766798 /nfs/dbraw/zinc/76/67/98/183766798.db2.gz KYYSKFKGGDEGJC-UHFFFAOYSA-N 0 0 310.216 4.096 50 0 DIAARN C[C@H]1c2cccn2CCN1Cc1csc(Cc2ccccc2)n1 ZINC000051498789 183828251 /nfs/dbraw/zinc/82/82/51/183828251.db2.gz AGXQQBFDXMRZLF-HNNXBMFYSA-N 0 0 323.465 4.112 50 0 DIAARN O=C(Nc1nnc(-c2ccsc2)s1)N1CCCCCCC1 ZINC000052496893 183861822 /nfs/dbraw/zinc/86/18/22/183861822.db2.gz DLNBHBKQYHVIRX-UHFFFAOYSA-N 0 0 322.459 4.065 50 0 DIAARN CN(C(=O)c1ccc(-c2cnco2)cc1)[C@H]1CCc2ccccc21 ZINC000054520550 183943277 /nfs/dbraw/zinc/94/32/77/183943277.db2.gz GDTXXHYZUOXBEV-SFHVURJKSA-N 0 0 318.376 4.101 50 0 DIAARN CN(C(=O)c1ccc(-c2cnco2)cc1)[C@@H]1CCc2ccccc21 ZINC000054520549 183943401 /nfs/dbraw/zinc/94/34/01/183943401.db2.gz GDTXXHYZUOXBEV-GOSISDBHSA-N 0 0 318.376 4.101 50 0 DIAARN COc1ccc2ccccc2c1-c1nc2c(C3CC3)[nH]n(C)c-2n1 ZINC000055325474 183979802 /nfs/dbraw/zinc/97/98/02/183979802.db2.gz IXRJQFNEYRQYNZ-UHFFFAOYSA-N 0 0 318.380 4.003 50 0 DIAARN CC[C@H](C)N(Cc1sccc1C)C(=O)CC1CCOCC1 ZINC000055341619 183981098 /nfs/dbraw/zinc/98/10/98/183981098.db2.gz UPOBTCPCOQPFCT-AWEZNQCLSA-N 0 0 309.475 4.000 50 0 DIAARN CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc2cnccc21 ZINC000055357699 183981859 /nfs/dbraw/zinc/98/18/59/183981859.db2.gz RDFNMNGKCPLHAM-OAHLLOKOSA-N 0 0 319.408 4.071 50 0 DIAARN CCCN(Cc1ccc(SC)cc1)C(=O)c1occc1C ZINC000055357865 183981910 /nfs/dbraw/zinc/98/19/10/183981910.db2.gz DFKPRNBHTDCSNO-UHFFFAOYSA-N 0 0 303.427 4.362 50 0 DIAARN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000055902017 184000015 /nfs/dbraw/zinc/00/00/15/184000015.db2.gz CWLQZDSSQRSBBK-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN O=C(Nc1cccc2cccnc21)N1CCC[C@H]1C1CCCC1 ZINC000056563566 184015598 /nfs/dbraw/zinc/01/55/98/184015598.db2.gz JUKOQAJEFVBTJK-KRWDZBQOSA-N 0 0 309.413 4.421 50 0 DIAARN Cc1ccc(CC(=O)N(Cc2sccc2C)C(C)C)s1 ZINC000057052258 184026214 /nfs/dbraw/zinc/02/62/14/184026214.db2.gz MPOHNYSAVALDOM-UHFFFAOYSA-N 0 0 307.484 4.406 50 0 DIAARN Nc1nc(Cl)cc(N2CCC[C@H]2c2cccc3ccccc32)n1 ZINC000057148558 184028451 /nfs/dbraw/zinc/02/84/51/184028451.db2.gz OMMRFNQAWFTVNY-HNNXBMFYSA-N 0 0 324.815 4.207 50 0 DIAARN O=C(NCc1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1 ZINC000057416199 184037870 /nfs/dbraw/zinc/03/78/70/184037870.db2.gz ULJWKGKGTIXKCT-UHFFFAOYSA-N 0 0 319.191 4.405 50 0 DIAARN CCSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000057853883 184057924 /nfs/dbraw/zinc/05/79/24/184057924.db2.gz IPRGBOTWAYPESX-UHFFFAOYSA-N 0 0 301.440 4.032 50 0 DIAARN C[C@@H]1CCCCN1C(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000058080438 184073518 /nfs/dbraw/zinc/07/35/18/184073518.db2.gz MGXHETGYJMKMCP-SSDOTTSWSA-N 0 0 307.608 4.056 50 0 DIAARN CCn1ncc2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc21 ZINC000058087504 184073769 /nfs/dbraw/zinc/07/37/69/184073769.db2.gz UNPMCRYULCTFJI-CQSZACIVSA-N 0 0 307.397 4.189 50 0 DIAARN Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c(C)o1 ZINC000058194948 184086745 /nfs/dbraw/zinc/08/67/45/184086745.db2.gz UUOICXHAZNZKCX-UHFFFAOYSA-N 0 0 312.291 4.123 50 0 DIAARN Cc1nc(CN2CCC[C@H]2c2ccsc2)nc2ccccc12 ZINC000058225413 184090219 /nfs/dbraw/zinc/09/02/19/184090219.db2.gz DKEWJVQWAIGQSI-KRWDZBQOSA-N 0 0 309.438 4.337 50 0 DIAARN CCCCN(CC)c1ccc(C(=O)Nc2ncc(C)s2)cc1 ZINC000058155821 184081389 /nfs/dbraw/zinc/08/13/89/184081389.db2.gz NEMOIJIFRXIIJJ-UHFFFAOYSA-N 0 0 317.458 4.330 50 0 DIAARN COC(=O)c1cnc(/C=C/c2ccc(Cl)cc2Cl)s1 ZINC000058160234 184082033 /nfs/dbraw/zinc/08/20/33/184082033.db2.gz AHVUJHTUZHENHJ-HWKANZROSA-N 0 0 314.193 4.407 50 0 DIAARN O=C(NCc1cc2ccccc2[nH]1)c1cc2c(s1)CCCCC2 ZINC000058357587 184108828 /nfs/dbraw/zinc/10/88/28/184108828.db2.gz HUSRDWFHHFZCHM-UHFFFAOYSA-N 0 0 324.449 4.428 50 0 DIAARN CCN(c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1)C(C)C ZINC000058367062 184109555 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ZINC000268712138 526686358 /nfs/dbraw/zinc/68/63/58/526686358.db2.gz DLVQXQLGGNRIBF-MRVPVSSYSA-N 0 0 322.821 4.069 50 0 DIAARN O=C(CSc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12 ZINC000012524797 527061340 /nfs/dbraw/zinc/06/13/40/527061340.db2.gz QSCOGWSEJDVUPQ-UHFFFAOYSA-N 0 0 307.378 4.019 50 0 DIAARN CC(C)n1cc(CN(C)c2ccc(Oc3ccccc3)cc2)nn1 ZINC000328593515 528561087 /nfs/dbraw/zinc/56/10/87/528561087.db2.gz CZUNFRXEZMOCPD-UHFFFAOYSA-N 0 0 322.412 4.288 50 0 DIAARN CC[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(F)cc1 ZINC000328592469 529238359 /nfs/dbraw/zinc/23/83/59/529238359.db2.gz SCCXIIJTESPBBW-MRXNPFEDSA-N 0 0 321.392 4.056 50 0 DIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2cccc(C)c2)CO1 ZINC000002117563 536095299 /nfs/dbraw/zinc/09/52/99/536095299.db2.gz GWZWKYGUDAABTI-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN COc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1C ZINC000015580666 536532322 /nfs/dbraw/zinc/53/23/22/536532322.db2.gz JVGQJWCITRXGCT-UHFFFAOYSA-N 0 0 324.424 4.246 50 0 DIAARN COC(=O)c1cc(F)cc(-c2ccccc2OC(F)(F)F)c1 ZINC000097757132 563541646 /nfs/dbraw/zinc/54/16/46/563541646.db2.gz MWJZWBCIGGLXNQ-UHFFFAOYSA-N 0 0 314.234 4.178 50 0 DIAARN O=C1CS[C@@H](c2ccccc2)N1c1ccc(F)c(Cl)c1 ZINC000000180316 563575697 /nfs/dbraw/zinc/57/56/97/563575697.db2.gz YLNKPJQUYXTALW-HNNXBMFYSA-N 0 0 307.777 4.258 50 0 DIAARN CCOC(=O)Cc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000000259031 563582805 /nfs/dbraw/zinc/58/28/05/563582805.db2.gz ZURBXKMAWOBNQY-UHFFFAOYSA-N 0 0 303.789 4.058 50 0 DIAARN CC(C)C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000000306666 563587082 /nfs/dbraw/zinc/58/70/82/563587082.db2.gz PNEPXGCGMFBSLN-UHFFFAOYSA-N 0 0 303.431 4.097 50 0 DIAARN CC[C@H]1CCCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000003257935 563614293 /nfs/dbraw/zinc/61/42/93/563614293.db2.gz DAMAHWBTDSQGCW-HNNXBMFYSA-N 0 0 311.878 4.364 50 0 DIAARN COc1cc(-c2cc(OC)c(C)cc2OC)c(OC)cc1C ZINC000000163123 563618029 /nfs/dbraw/zinc/61/80/29/563618029.db2.gz SIOPNRTXPDDOHV-UHFFFAOYSA-N 0 0 302.370 4.005 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000102371481 563659345 /nfs/dbraw/zinc/65/93/45/563659345.db2.gz SFXIUBLQLZXSLE-DVOMOZLQSA-N 0 0 321.848 4.244 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1Cl ZINC000044845574 563685606 /nfs/dbraw/zinc/68/56/06/563685606.db2.gz GYOBZERUBUGXCP-CYBMUJFWSA-N 0 0 302.805 4.483 50 0 DIAARN O=C(NCc1cccc(O)c1)Nc1cccc(Cl)c1Cl ZINC000049255262 563700652 /nfs/dbraw/zinc/70/06/52/563700652.db2.gz OSKSATJWDXSQMX-UHFFFAOYSA-N 0 0 311.168 4.021 50 0 DIAARN Cc1c(Br)cccc1N(C)C(=O)OC(C)(C)C ZINC000221286683 563723446 /nfs/dbraw/zinc/72/34/46/563723446.db2.gz OGZGAMPNJQYFRH-UHFFFAOYSA-N 0 0 300.196 4.129 50 0 DIAARN C[C@@H]1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]2OCOCC[Si](C)(C)C ZINC000169832274 563849344 /nfs/dbraw/zinc/84/93/44/563849344.db2.gz IWVSAXUYFJNSAT-FSDCSDTHSA-N 0 0 312.526 4.099 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)c1cnc(C(C)C)nc1C ZINC000075436971 563871095 /nfs/dbraw/zinc/87/10/95/563871095.db2.gz WFBRXTNAUBOUPA-UHFFFAOYSA-N 0 0 303.793 4.123 50 0 DIAARN CCCNc1nnc(SCc2cccc(C(C)C)n2)s1 ZINC000122949025 563872112 /nfs/dbraw/zinc/87/21/12/563872112.db2.gz PIDOJXVMAICPKV-UHFFFAOYSA-N 0 0 308.476 4.171 50 0 DIAARN CC(C)(C)CC(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000064678022 563892074 /nfs/dbraw/zinc/89/20/74/563892074.db2.gz LBNMJLXXOAUHQM-UHFFFAOYSA-N 0 0 303.446 4.130 50 0 DIAARN CSc1ncc(Nc2nc(-c3ccccc3)cs2)cn1 ZINC000003219730 563906139 /nfs/dbraw/zinc/90/61/39/563906139.db2.gz GNYCKVTUXTWHSM-UHFFFAOYSA-N 0 0 300.412 4.066 50 0 DIAARN O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1 ZINC000250263115 563909953 /nfs/dbraw/zinc/90/99/53/563909953.db2.gz VPEDRNOGVZLOPO-UHFFFAOYSA-N 0 0 310.140 4.348 50 0 DIAARN CN(C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C1CCCCCC1 ZINC000170631349 563908987 /nfs/dbraw/zinc/90/89/87/563908987.db2.gz GGLIQAFVDOZMCE-NVXWUHKLSA-N 0 0 324.509 4.192 50 0 DIAARN CSc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000000365070 563912904 /nfs/dbraw/zinc/91/29/04/563912904.db2.gz JGPRRVKJUGCFBX-UHFFFAOYSA-N 0 0 312.188 4.016 50 0 DIAARN CCC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccco1 ZINC000002096444 563913837 /nfs/dbraw/zinc/91/38/37/563913837.db2.gz FIZUPGJAHFQCFC-MRXNPFEDSA-N 0 0 303.402 4.441 50 0 biogenic DIAARN CC(C)C[C@H]1C[C@@H](Nc2ncccc2C(F)(F)F)CCO1 ZINC000095990652 563934069 /nfs/dbraw/zinc/93/40/69/563934069.db2.gz TUGJGASTIVRGHQ-RYUDHWBXSA-N 0 0 302.340 4.106 50 0 DIAARN CCCC[C@@H](CC)CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000009581774 563956900 /nfs/dbraw/zinc/95/69/00/563956900.db2.gz NUSGHRPQUUHVEO-CYBMUJFWSA-N 0 0 302.418 4.123 50 0 DIAARN C[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000000130345 563221852 /nfs/dbraw/zinc/22/18/52/563221852.db2.gz IURAJASMCSTTBV-VIFPVBQESA-N 0 0 320.845 4.361 50 0 DIAARN Cc1c(C=O)c(C=O)c(C)n1-c1cccc(SC(F)F)c1 ZINC000000314427 563240338 /nfs/dbraw/zinc/24/03/38/563240338.db2.gz GURLZUSLPAXQAA-UHFFFAOYSA-N 0 0 309.337 4.034 50 0 DIAARN O=C(/C=C/c1ccccc1)Nc1cccc(Br)c1 ZINC000000443073 563254572 /nfs/dbraw/zinc/25/45/72/563254572.db2.gz IHWKXVBHNSPIGD-MDZDMXLPSA-N 0 0 302.171 4.101 50 0 DIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1C ZINC000000449842 563256138 /nfs/dbraw/zinc/25/61/38/563256138.db2.gz NQFAKIBZLNMPBA-MRXNPFEDSA-N 0 0 303.789 4.445 50 0 DIAARN Cc1nc(CSc2ncnc3sc4c(c32)CCC4)cs1 ZINC000000387219 563249358 /nfs/dbraw/zinc/24/93/58/563249358.db2.gz RCRBJHXJBKWOQE-UHFFFAOYSA-N 0 0 319.480 4.237 50 0 DIAARN CO[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000609707 563268124 /nfs/dbraw/zinc/26/81/24/563268124.db2.gz KHJLURTTWWTHPM-AWEZNQCLSA-N 0 0 310.180 4.320 50 0 DIAARN CC(C)CCNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002061882 563298774 /nfs/dbraw/zinc/29/87/74/563298774.db2.gz KBNRCLXHOYERHO-UHFFFAOYSA-N 0 0 324.635 4.188 50 0 DIAARN O=C(CCNc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000002565429 563309930 /nfs/dbraw/zinc/30/99/30/563309930.db2.gz DOTJVVRVTMPACS-UHFFFAOYSA-N 0 0 322.177 4.273 50 0 DIAARN O=C(NCCSc1ccccc1)Nc1cccc(Cl)c1 ZINC000002874558 563316175 /nfs/dbraw/zinc/31/61/75/563316175.db2.gz VIGAOLIOWOHIMT-UHFFFAOYSA-N 0 0 306.818 4.254 50 0 DIAARN COc1cc(SC)ccc1C(=O)N[C@H](C)CCCC(C)C ZINC000002990838 563320089 /nfs/dbraw/zinc/32/00/89/563320089.db2.gz HUVTWJOKQBGTGW-CYBMUJFWSA-N 0 0 309.475 4.362 50 0 DIAARN CCc1ccc(CN(C)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000026245629 563424819 /nfs/dbraw/zinc/42/48/19/563424819.db2.gz YPSXENVREMGGRR-CYBMUJFWSA-N 0 0 302.443 4.213 50 0 DIAARN CCN(Cc1cccc(F)c1)C(=O)N[C@H](C)c1cccs1 ZINC000026245537 563425112 /nfs/dbraw/zinc/42/51/12/563425112.db2.gz UKICTQMGZLYLSS-GFCCVEGCSA-N 0 0 306.406 4.180 50 0 DIAARN C[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1F ZINC000030549959 563436846 /nfs/dbraw/zinc/43/68/46/563436846.db2.gz DOFVJGSOWBPYRA-VIFPVBQESA-N 0 0 309.793 4.300 50 0 DIAARN CCc1csc(-c2ccc(CNC(=O)CC(C)(C)C)cc2)n1 ZINC000097938109 563460844 /nfs/dbraw/zinc/46/08/44/563460844.db2.gz IKTJRZCFZRTWKA-UHFFFAOYSA-N 0 0 316.470 4.425 50 0 DIAARN O=C(CSC1CCCCC1)Nc1ccc(F)c(Cl)c1 ZINC000000149423 563224749 /nfs/dbraw/zinc/22/47/49/563224749.db2.gz XUWOUYYSBMUZED-UHFFFAOYSA-N 0 0 301.814 4.484 50 0 DIAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000000028118 563211139 /nfs/dbraw/zinc/21/11/39/563211139.db2.gz QXZANJZDOXEGLQ-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN Brc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000000321311 563240765 /nfs/dbraw/zinc/24/07/65/563240765.db2.gz QYHFSGVWIZTNPA-UHFFFAOYSA-N 0 0 305.200 4.477 50 0 DIAARN S=C(Nc1ccccc1)Nc1ccccc1Br ZINC000000032056 563211243 /nfs/dbraw/zinc/21/12/43/563211243.db2.gz RHCLDRNURYJHJR-UHFFFAOYSA-N 0 0 307.216 4.258 50 0 DIAARN Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(C)c1Cl ZINC000000037167 563211357 /nfs/dbraw/zinc/21/13/57/563211357.db2.gz PAWVSMXYNVFDOE-UHFFFAOYSA-N 0 0 303.576 4.149 50 0 DIAARN Cc1sc2nc3n(c(=O)c2c1C)C(C)(C)Cc1ccccc1-3 ZINC000000036744 563211380 /nfs/dbraw/zinc/21/13/80/563211380.db2.gz FVOSORNOFIJGEW-UHFFFAOYSA-N 0 0 310.422 4.033 50 0 DIAARN COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000035969 563211429 /nfs/dbraw/zinc/21/14/29/563211429.db2.gz HBXTWSAQJYPCGH-JTQLQIEISA-N 0 0 324.207 4.493 50 0 DIAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccnc1 ZINC000000047037 563211870 /nfs/dbraw/zinc/21/18/70/563211870.db2.gz YQRXTNQUPCQTPW-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN c1ccc2nc3c(nc2c1)Sc1nc2ccccc2nc1S3 ZINC000000047314 563211889 /nfs/dbraw/zinc/21/18/89/563211889.db2.gz CFLHFRUIYUCACJ-UHFFFAOYSA-N 0 0 320.402 4.189 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C ZINC000000060954 563212259 /nfs/dbraw/zinc/21/22/59/563212259.db2.gz VBEQCFJJMLVZTE-UHFFFAOYSA-N 0 0 312.413 4.102 50 0 DIAARN O=C(NCc1ccco1)c1sc2cc(F)ccc2c1Cl ZINC000000062271 563212390 /nfs/dbraw/zinc/21/23/90/563212390.db2.gz XJABITLESQDJQJ-UHFFFAOYSA-N 0 0 309.749 4.217 50 0 DIAARN O=C(NCc1csc2ccccc12)c1ccc(Cl)cc1 ZINC000000069452 563212823 /nfs/dbraw/zinc/21/28/23/563212823.db2.gz XWAPDMUXBBJCLF-UHFFFAOYSA-N 0 0 301.798 4.485 50 0 DIAARN c1sc2ncnc(NCc3ccccn3)c2c1-c1ccccc1 ZINC000000066559 563212825 /nfs/dbraw/zinc/21/28/25/563212825.db2.gz CBJBZIZSNJVHIQ-UHFFFAOYSA-N 0 0 318.405 4.365 50 0 DIAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000000069771 563212832 /nfs/dbraw/zinc/21/28/32/563212832.db2.gz VVMNWAXILRYPHV-UHFFFAOYSA-N 0 0 307.349 4.087 50 0 DIAARN Cc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1 ZINC000000073479 563213406 /nfs/dbraw/zinc/21/34/06/563213406.db2.gz CJCUDSNXWJATTI-UHFFFAOYSA-N 0 0 309.344 4.329 50 0 DIAARN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1O ZINC000000079871 563213915 /nfs/dbraw/zinc/21/39/15/563213915.db2.gz GXPGPKKGLCOHCD-HNNXBMFYSA-N 0 0 319.360 4.028 50 0 DIAARN Cc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1C ZINC000000078855 563214127 /nfs/dbraw/zinc/21/41/27/563214127.db2.gz LILGWFMBDPAOAC-UHFFFAOYSA-N 0 0 316.364 4.200 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc2O1 ZINC000000082332 563214365 /nfs/dbraw/zinc/21/43/65/563214365.db2.gz GZJYYTDPEQCUOZ-HNNXBMFYSA-N 0 0 321.298 4.038 50 0 DIAARN Cc1cc(F)ccc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000000081759 563214541 /nfs/dbraw/zinc/21/45/41/563214541.db2.gz SJHAMDVGHYWGDP-UHFFFAOYSA-N 0 0 315.369 4.088 50 0 DIAARN Fc1ccc2ncc(-c3ccc(Br)s3)nc2c1 ZINC000000083264 563214669 /nfs/dbraw/zinc/21/46/69/563214669.db2.gz AZAOQJQBSOWFJM-UHFFFAOYSA-N 0 0 309.163 4.260 50 0 DIAARN CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 ZINC000000086856 563215342 /nfs/dbraw/zinc/21/53/42/563215342.db2.gz SFNQOGDRQDZZFF-UHFFFAOYSA-N 0 0 310.397 4.284 50 0 DIAARN CCc1cccc(C)c1NC(=O)COc1cccc(Cl)c1 ZINC000000094095 563215792 /nfs/dbraw/zinc/21/57/92/563215792.db2.gz VWZAXISPLDFTPC-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN Cc1cc(O)cc(C)c1NC(=O)c1ccccc1Br ZINC000000092401 563215895 /nfs/dbraw/zinc/21/58/95/563215895.db2.gz VTQRGZRRVSPJAJ-UHFFFAOYSA-N 0 0 320.186 4.024 50 0 DIAARN O=C(C[C@@H]1OC(=O)c2ccccc21)c1cc(Cl)ccc1Cl ZINC000000098449 563216447 /nfs/dbraw/zinc/21/64/47/563216447.db2.gz LFCDQZLQKOFSPV-HNNXBMFYSA-N 0 0 321.159 4.478 50 0 DIAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C)cc1 ZINC000000098361 563216464 /nfs/dbraw/zinc/21/64/64/563216464.db2.gz KDTQBCSSCKZXQC-UHFFFAOYSA-N 0 0 306.365 4.464 50 0 DIAARN CCOc1ccccc1NC(=O)c1ccccc1Br ZINC000000101485 563217070 /nfs/dbraw/zinc/21/70/70/563217070.db2.gz OKIZAWCPQBVGSN-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000000102533 563217483 /nfs/dbraw/zinc/21/74/83/563217483.db2.gz WWOFYZRLHVKJCR-CYBMUJFWSA-N 0 0 319.426 4.010 50 0 DIAARN Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000104182 563217667 /nfs/dbraw/zinc/21/76/67/563217667.db2.gz LDOBFWSOGCXTDE-UHFFFAOYSA-N 0 0 324.405 4.136 50 0 DIAARN Cc1c(C)n(C[C@H](O)CNc2ccccc2C)c2ccccc12 ZINC000000106219 563218004 /nfs/dbraw/zinc/21/80/04/563218004.db2.gz IXHIKKBSKAKOPK-QGZVFWFLSA-N 0 0 308.425 4.040 50 0 DIAARN O=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000000107413 563218086 /nfs/dbraw/zinc/21/80/86/563218086.db2.gz KGFVNFMTJQEBGX-UHFFFAOYSA-N 0 0 314.182 4.265 50 0 DIAARN COc1ccc2[nH]c(C(=O)Nc3ccccc3Cl)cc2c1 ZINC000000114530 563219458 /nfs/dbraw/zinc/21/94/58/563219458.db2.gz DGKUOENXHCVUGQ-UHFFFAOYSA-N 0 0 300.745 4.082 50 0 DIAARN Cc1nc(-c2nnc(SCc3ccccc3Cl)o2)cs1 ZINC000000121021 563219826 /nfs/dbraw/zinc/21/98/26/563219826.db2.gz MNBXAFIKSNEOFK-UHFFFAOYSA-N 0 0 323.830 4.447 50 0 DIAARN CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C ZINC000000117996 563219837 /nfs/dbraw/zinc/21/98/37/563219837.db2.gz DEVCZLMVNZTDTN-WMZOPIPTSA-N 0 0 317.429 4.131 50 0 DIAARN Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000000123045 563220501 /nfs/dbraw/zinc/22/05/01/563220501.db2.gz VHHFGVFUDZMDCD-UHFFFAOYSA-N 0 0 323.577 4.493 50 0 DIAARN COc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000124212 563221164 /nfs/dbraw/zinc/22/11/64/563221164.db2.gz YGMNPZZRWZOONH-UHFFFAOYSA-N 0 0 317.694 4.341 50 0 DIAARN Cc1cccc(-n2c(=O)c3ccccc3nc2-c2cccs2)c1 ZINC000000127405 563221229 /nfs/dbraw/zinc/22/12/29/563221229.db2.gz LNCNYQYDXDTKGQ-UHFFFAOYSA-N 0 0 318.401 4.423 50 0 DIAARN CC(C)c1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000000130219 563221844 /nfs/dbraw/zinc/22/18/44/563221844.db2.gz UARDZXVQBMGAOJ-UHFFFAOYSA-N 0 0 307.349 4.169 50 0 DIAARN Cc1c(C)c(C)c(CN2C(=O)c3ccccc3C2=O)c(C)c1C ZINC000000136758 563222766 /nfs/dbraw/zinc/22/27/66/563222766.db2.gz NBQDUYHXANYCAX-UHFFFAOYSA-N 0 0 307.393 4.025 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000137021 563222970 /nfs/dbraw/zinc/22/29/70/563222970.db2.gz NFBRPJZILIFAKN-UHFFFAOYSA-N 0 0 311.381 4.008 50 0 DIAARN CCOC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000000141075 563223201 /nfs/dbraw/zinc/22/32/01/563223201.db2.gz POLOULHEBXOTJL-UHFFFAOYSA-N 0 0 319.382 4.160 50 0 DIAARN CN(C)c1cc(-c2ccc(Cl)cc2Cl)oc(=O)c1Cl ZINC000000142404 563223413 /nfs/dbraw/zinc/22/34/13/563223413.db2.gz QYYYBVBBCSVOOM-UHFFFAOYSA-N 0 0 318.587 4.333 50 0 DIAARN CNc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000000144229 563224043 /nfs/dbraw/zinc/22/40/43/563224043.db2.gz RGOKGZCGPOFYFI-DGCLKSJQSA-N 0 0 308.853 4.326 50 0 DIAARN Cc1ccc2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1)O2 ZINC000000148632 563224608 /nfs/dbraw/zinc/22/46/08/563224608.db2.gz UOPFUPABVMSJMO-INIZCTEOSA-N 0 0 317.182 4.464 50 0 DIAARN Fc1cccc(F)c1-c1nc(-c2cccc(-n3cccc3)c2)no1 ZINC000000150582 563225086 /nfs/dbraw/zinc/22/50/86/563225086.db2.gz WYKLRHCTYDASCC-UHFFFAOYSA-N 0 0 323.302 4.473 50 0 DIAARN CCN(C(=O)c1ccc2c(c1)CCO2)c1cccc2ccccc21 ZINC000000155635 563225711 /nfs/dbraw/zinc/22/57/11/563225711.db2.gz OFRGABZZIUHIAG-UHFFFAOYSA-N 0 0 317.388 4.441 50 0 DIAARN CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000000159463 563225728 /nfs/dbraw/zinc/22/57/28/563225728.db2.gz UMVHOYWQCVOYQO-HKUYNNGSSA-N 0 0 324.811 4.210 50 0 DIAARN CCOC(=O)Cc1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000000165891 563226417 /nfs/dbraw/zinc/22/64/17/563226417.db2.gz ZEWYLZBYOBLIOK-UHFFFAOYSA-N 0 0 303.427 4.213 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000000171499 563226968 /nfs/dbraw/zinc/22/69/68/563226968.db2.gz BEFGPIDCHOCQQU-UHFFFAOYSA-N 0 0 303.814 4.021 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000000168956 563226987 /nfs/dbraw/zinc/22/69/87/563226987.db2.gz PIKBUAQLZAAWMJ-UHFFFAOYSA-N 0 0 322.408 4.096 50 0 DIAARN COc1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000171427 563227048 /nfs/dbraw/zinc/22/70/48/563227048.db2.gz UCPKKODIINQTSR-UHFFFAOYSA-N 0 0 324.302 4.036 50 0 DIAARN O=C(O[C@H]1CCCCc2cccnc21)c1ccc(Cl)cc1 ZINC000000172553 563227331 /nfs/dbraw/zinc/22/73/31/563227331.db2.gz CEUKOSAGSSSYKZ-HNNXBMFYSA-N 0 0 301.773 4.360 50 0 DIAARN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCCCCC1 ZINC000000171606 563227342 /nfs/dbraw/zinc/22/73/42/563227342.db2.gz ZPJMXRBYDRMPTG-UHFFFAOYSA-N 0 0 323.845 4.058 50 0 DIAARN Cc1c(/C=C/C(=O)Nc2nccs2)sc2ccccc12 ZINC000000172449 563227434 /nfs/dbraw/zinc/22/74/34/563227434.db2.gz GIGLZPLSVGYSRJ-VOTSOKGWSA-N 0 0 300.408 4.318 50 0 DIAARN Cc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2o1 ZINC000000172218 563227540 /nfs/dbraw/zinc/22/75/40/563227540.db2.gz DGBNPVGFUMBWKN-UHFFFAOYSA-N 0 0 320.270 4.407 50 0 DIAARN O=C1c2cccc3cccc(c32)C(=O)N1c1cccc(Cl)c1 ZINC000000174821 563228111 /nfs/dbraw/zinc/22/81/11/563228111.db2.gz MRVPOPCWVUFBDU-UHFFFAOYSA-N 0 0 307.736 4.294 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000000183773 563228486 /nfs/dbraw/zinc/22/84/86/563228486.db2.gz JUCHRTZHMFOHRD-ZDUSSCGKSA-N 0 0 311.381 4.378 50 0 DIAARN CC(=O)Oc1ccc2c(=O)c(-c3ccccc3C)c(C)oc2c1C ZINC000000189935 563229148 /nfs/dbraw/zinc/22/91/48/563229148.db2.gz JHZFQFGFYSOHPC-UHFFFAOYSA-N 0 0 322.360 4.311 50 0 biogenic DIAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1ccccc1 ZINC000000192517 563229785 /nfs/dbraw/zinc/22/97/85/563229785.db2.gz VOXLNVHDHAMBKT-UHFFFAOYSA-N 0 0 307.736 4.294 50 0 DIAARN O=C(Nc1ccc2c(c1)C(=O)OC2)Nc1cccc2ccccc21 ZINC000000197141 563229832 /nfs/dbraw/zinc/22/98/32/563229832.db2.gz KEWRZZASCVMIEP-UHFFFAOYSA-N 0 0 318.332 4.154 50 0 DIAARN Clc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 ZINC000000205859 563230322 /nfs/dbraw/zinc/23/03/22/563230322.db2.gz PYZUEWQLYBBSCE-CVEARBPZSA-N 0 0 310.788 4.078 50 0 DIAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccco3)ccc2n1 ZINC000000213113 563230827 /nfs/dbraw/zinc/23/08/27/563230827.db2.gz VZIJHBFWXKXHKB-UHFFFAOYSA-N 0 0 323.396 4.235 50 0 DIAARN CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000000210374 563230983 /nfs/dbraw/zinc/23/09/83/563230983.db2.gz RGGCHKVBJKBTEF-UHFFFAOYSA-N 0 0 318.214 4.111 50 0 DIAARN CC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000000213173 563231024 /nfs/dbraw/zinc/23/10/24/563231024.db2.gz LMXJWHIMXNCRLH-UHFFFAOYSA-N 0 0 321.346 4.399 50 0 DIAARN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(C=O)ccc1O2 ZINC000000225511 563231480 /nfs/dbraw/zinc/23/14/80/563231480.db2.gz VTYYJHDETHHNEN-FQEVSTJZSA-N 0 0 305.377 4.029 50 0 DIAARN Clc1ccccc1[C@H]1C[C@H](c2cccs2)Nc2ncnn21 ZINC000000222727 563231538 /nfs/dbraw/zinc/23/15/38/563231538.db2.gz QOAMIYOJENZPKL-CHWSQXEVSA-N 0 0 316.817 4.139 50 0 DIAARN O=C(Cc1cccs1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000000235316 563232185 /nfs/dbraw/zinc/23/21/85/563232185.db2.gz UJEXUDYAXAQIQX-UHFFFAOYSA-N 0 0 321.401 4.160 50 0 DIAARN O=C(/C=C/c1ccccc1)Nc1ccccc1Br ZINC000000239033 563232202 /nfs/dbraw/zinc/23/22/02/563232202.db2.gz FZGNQEIHILPJBW-ZHACJKMWSA-N 0 0 302.171 4.101 50 0 DIAARN Cc1cc(C)n(Cc2cc(C)c(Cn3nc(C)cc3C)cc2C)n1 ZINC000000233873 563232234 /nfs/dbraw/zinc/23/22/34/563232234.db2.gz VDSSBNSBAQMOQC-UHFFFAOYSA-N 0 0 322.456 4.027 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000000241981 563232686 /nfs/dbraw/zinc/23/26/86/563232686.db2.gz XHLLVDGHRAJQTN-GJZGRUSLSA-N 0 0 305.299 4.448 50 0 DIAARN CCc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000000248906 563233414 /nfs/dbraw/zinc/23/34/14/563233414.db2.gz FPCWLVOPKZQGJI-UHFFFAOYSA-N 0 0 317.454 4.248 50 0 DIAARN CC(C)(C)Cc1nnc(NC(=O)CCC2CCCCC2)s1 ZINC000000249701 563233526 /nfs/dbraw/zinc/23/35/26/563233526.db2.gz JPXANYFHAYTWNN-UHFFFAOYSA-N 0 0 309.479 4.426 50 0 DIAARN CCN(C(=O)c1ccc(Br)cc1)c1ccccc1C ZINC000000245908 563233581 /nfs/dbraw/zinc/23/35/81/563233581.db2.gz SIIIYUKCCPJNNZ-UHFFFAOYSA-N 0 0 318.214 4.424 50 0 DIAARN C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000000247049 563233588 /nfs/dbraw/zinc/23/35/88/563233588.db2.gz MCCXVGYSWHWHDK-CQSZACIVSA-N 0 0 317.454 4.024 50 0 DIAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccs1 ZINC000000248618 563233639 /nfs/dbraw/zinc/23/36/39/563233639.db2.gz RWRCLPVMCRTBAG-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN Oc1ccccc1-c1cc(-c2cccc(Br)c2)n[nH]1 ZINC000000265245 563234680 /nfs/dbraw/zinc/23/46/80/563234680.db2.gz FGHOGCHUXQGOKD-UHFFFAOYSA-N 0 0 315.170 4.212 50 0 DIAARN O=C(Cc1ccccc1)Nc1nc2c(cccc2Cl)s1 ZINC000000273541 563235341 /nfs/dbraw/zinc/23/53/41/563235341.db2.gz NJIYMNLPJUIFIX-UHFFFAOYSA-N 0 0 302.786 4.131 50 0 DIAARN Cc1cc(C)nc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000000285325 563236018 /nfs/dbraw/zinc/23/60/18/563236018.db2.gz JZXSWEMDCWWTTA-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000289479 563236485 /nfs/dbraw/zinc/23/64/85/563236485.db2.gz DPFMDPXSJVNVSW-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN CC(=O)Nc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000000293031 563236645 /nfs/dbraw/zinc/23/66/45/563236645.db2.gz OZTUMTHXZYHSLP-UHFFFAOYSA-N 0 0 320.179 4.495 50 0 DIAARN COc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1OC ZINC000000296025 563237190 /nfs/dbraw/zinc/23/71/90/563237190.db2.gz JTVXEUVVRXXBNA-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN CC(C)c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000000293707 563237205 /nfs/dbraw/zinc/23/72/05/563237205.db2.gz DKHFKPJZQHTZGS-UHFFFAOYSA-N 0 0 316.213 4.221 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cccc3ccccc32)cc1C ZINC000000303361 563237789 /nfs/dbraw/zinc/23/77/89/563237789.db2.gz IVFNUNKSGFZPLO-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)c1ccccc1F ZINC000000304534 563238556 /nfs/dbraw/zinc/23/85/56/563238556.db2.gz CFHWPECZNCQHRJ-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN COc1ccc(-c2cc(=O)oc3cc(OC(C)C)ccc32)cc1 ZINC000000307795 563238867 /nfs/dbraw/zinc/23/88/67/563238867.db2.gz IQZVNQGJSYGWQY-UHFFFAOYSA-N 0 0 310.349 4.256 50 0 biogenic DIAARN Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 ZINC000000307938 563238952 /nfs/dbraw/zinc/23/89/52/563238952.db2.gz WGECAKJNTJLNRI-UHFFFAOYSA-N 0 0 307.752 4.113 50 0 DIAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)OC12CCCCC2 ZINC000000310599 563239640 /nfs/dbraw/zinc/23/96/40/563239640.db2.gz QUFGMIBQKJGADM-KRWDZBQOSA-N 0 0 323.392 4.044 50 0 DIAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1 ZINC000000314987 563240125 /nfs/dbraw/zinc/24/01/25/563240125.db2.gz ORWUCDFSZHIGLQ-FMIVXFBMSA-N 0 0 301.773 4.391 50 0 DIAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1 ZINC000000316884 563240226 /nfs/dbraw/zinc/24/02/26/563240226.db2.gz NECVDTDPTQYYCD-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN O=c1ccc2ccc(OCc3ccc(F)cc3Cl)cc2o1 ZINC000000315228 563240408 /nfs/dbraw/zinc/24/04/08/563240408.db2.gz ZFZXBEHAFMERMU-UHFFFAOYSA-N 0 0 304.704 4.165 50 0 biogenic DIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000000317274 563240791 /nfs/dbraw/zinc/24/07/91/563240791.db2.gz FGDAATIGEKLDSL-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1C ZINC000000333028 563241418 /nfs/dbraw/zinc/24/14/18/563241418.db2.gz VZOQJPHLRMSXMN-UHFFFAOYSA-N 0 0 306.365 4.059 50 0 DIAARN CC(C)=CCSc1ncnc(SCC=C(C)C)c1C=O ZINC000000336645 563242159 /nfs/dbraw/zinc/24/21/59/563242159.db2.gz VNNDQZQMABBQDZ-UHFFFAOYSA-N 0 0 308.472 4.406 50 0 DIAARN COc1ccc(CNc2cccc(C)c2)cc1Br ZINC000000355113 563243818 /nfs/dbraw/zinc/24/38/18/563243818.db2.gz DPQYMSPPMBBGCO-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN COc1ccc(CNC(=O)c2oc3cc(C)c(C)cc3c2C)cc1 ZINC000000353020 563243833 /nfs/dbraw/zinc/24/38/33/563243833.db2.gz JKEFDOVTMGATIY-UHFFFAOYSA-N 0 0 323.392 4.297 50 0 DIAARN c1ccc(-c2ccccc2NCn2nnc3ccccc32)cc1 ZINC000000352725 563243848 /nfs/dbraw/zinc/24/38/48/563243848.db2.gz MMGJACDDPHZDHZ-UHFFFAOYSA-N 0 0 300.365 4.168 50 0 DIAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000000359076 563244204 /nfs/dbraw/zinc/24/42/04/563244204.db2.gz QYRHHBNLGKZYGT-CYBMUJFWSA-N 0 0 301.361 4.357 50 0 DIAARN CCc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 ZINC000000361207 563244912 /nfs/dbraw/zinc/24/49/12/563244912.db2.gz UYWDWYRDAXNXIG-UHFFFAOYSA-N 0 0 318.829 4.029 50 0 DIAARN Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000364040 563245198 /nfs/dbraw/zinc/24/51/98/563245198.db2.gz JDPAJUXTGMMWRM-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN CCc1nnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000000363657 563245370 /nfs/dbraw/zinc/24/53/70/563245370.db2.gz XKJJJIWCBFMMTQ-LBPRGKRZSA-N 0 0 317.458 4.041 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000364826 563245936 /nfs/dbraw/zinc/24/59/36/563245936.db2.gz PQTSTSUAQFKNGZ-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN O=C(Cc1cccc2ccccc21)Nc1cc(Cl)ccc1O ZINC000000365149 563246043 /nfs/dbraw/zinc/24/60/43/563246043.db2.gz XLXGPRVJKDBBPR-UHFFFAOYSA-N 0 0 311.768 4.380 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1c(C)cccc1C ZINC000000372739 563246631 /nfs/dbraw/zinc/24/66/31/563246631.db2.gz RLBKUWGDBGMFKQ-UHFFFAOYSA-N 0 0 301.411 4.286 50 0 DIAARN CC[C@@H](C(=O)Nc1nnc(CC(C)(C)C)s1)c1ccccc1 ZINC000000380303 563247588 /nfs/dbraw/zinc/24/75/88/563247588.db2.gz RTIYNXAARRLWIN-CYBMUJFWSA-N 0 0 317.458 4.259 50 0 DIAARN CCOc1ccccc1NC(=O)COc1c(C)cc(C)cc1C ZINC000000377893 563247691 /nfs/dbraw/zinc/24/76/91/563247691.db2.gz USXLMYLXMUZKLI-UHFFFAOYSA-N 0 0 313.397 4.028 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Br)o1 ZINC000000382543 563248319 /nfs/dbraw/zinc/24/83/19/563248319.db2.gz CGULCIMLBKQMDL-UHFFFAOYSA-N 0 0 314.566 4.256 50 0 DIAARN Cc1cccc(-c2nn3c(nnc3-c3cc(C)cc(C)c3)s2)c1 ZINC000000385015 563248791 /nfs/dbraw/zinc/24/87/91/563248791.db2.gz RYTGTWMKKGPXBY-UHFFFAOYSA-N 0 0 320.421 4.445 50 0 DIAARN Cc1ccc(-c2nn3c(nnc3-c3cccc(F)c3)s2)c(C)c1 ZINC000000385557 563248804 /nfs/dbraw/zinc/24/88/04/563248804.db2.gz DFFBBSNGDKGJQQ-UHFFFAOYSA-N 0 0 324.384 4.276 50 0 DIAARN Cc1c(C(=O)Nc2cccc(C)c2C)cnn1-c1ccccc1 ZINC000000385028 563248831 /nfs/dbraw/zinc/24/88/31/563248831.db2.gz LBQIKKFEBKJIES-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1 ZINC000000386938 563249338 /nfs/dbraw/zinc/24/93/38/563249338.db2.gz ZWRZMOOSKFCSPP-UHFFFAOYSA-N 0 0 316.360 4.163 50 0 DIAARN Cc1cc(NC(=O)Nc2ccccc2)ccc1Br ZINC000000388951 563249387 /nfs/dbraw/zinc/24/93/87/563249387.db2.gz YABXNSWIECGTEF-UHFFFAOYSA-N 0 0 305.175 4.402 50 0 DIAARN COc1ccc(NC(=O)Nc2ccccc2OC)c(Cl)c1 ZINC000000398807 563250581 /nfs/dbraw/zinc/25/05/81/563250581.db2.gz DARUWHMVRABLGC-UHFFFAOYSA-N 0 0 306.749 4.001 50 0 DIAARN O=S(=O)(c1ccc2ccccc2c1)[C@H]1C[C@H]1c1ccccc1 ZINC000000399865 563250872 /nfs/dbraw/zinc/25/08/72/563250872.db2.gz VDIAJAOJFDLKAO-OALUTQOASA-N 0 0 308.402 4.170 50 0 DIAARN COc1ccc(OC)c(NC(=O)Nc2cccc(Cl)c2C)c1 ZINC000000399438 563251284 /nfs/dbraw/zinc/25/12/84/563251284.db2.gz KDRGYOWOUMLUMX-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN Clc1cc(Cl)c(I)cc1Cl ZINC000000403336 563251472 /nfs/dbraw/zinc/25/14/72/563251472.db2.gz KKXMBRLCXIPURK-UHFFFAOYSA-N 0 0 307.345 4.251 50 0 DIAARN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000000405707 563251608 /nfs/dbraw/zinc/25/16/08/563251608.db2.gz SXPZYAMTSWFSFT-UHFFFAOYSA-N 0 0 317.797 4.294 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000406786 563251824 /nfs/dbraw/zinc/25/18/24/563251824.db2.gz ODWSPKDUUDFACC-IRXDYDNUSA-N 0 0 324.815 4.386 50 0 DIAARN CCCn1c(SCc2ccccc2)nc2ccccc2c1=O ZINC000000408959 563252138 /nfs/dbraw/zinc/25/21/38/563252138.db2.gz XCPXWUZNJOEBQA-UHFFFAOYSA-N 0 0 310.422 4.099 50 0 DIAARN CCc1cc(-c2nn(C)c(C)c2Oc2ccccc2)c(O)cc1O ZINC000000408264 563252275 /nfs/dbraw/zinc/25/22/75/563252275.db2.gz HGVCIRWJWGJAQQ-UHFFFAOYSA-N 0 0 324.380 4.161 50 0 DIAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(C)c(C)c2)no1 ZINC000000423730 563252902 /nfs/dbraw/zinc/25/29/02/563252902.db2.gz IJJIEZNBPMKPMZ-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN Cc1ccc([C@@H](NC(=O)C(F)(F)F)c2ccccc2)cc1C ZINC000000438148 563253957 /nfs/dbraw/zinc/25/39/57/563253957.db2.gz KNIFHARTTIHJPU-HNNXBMFYSA-N 0 0 307.315 4.071 50 0 DIAARN Cc1ccc(-c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000000440177 563254050 /nfs/dbraw/zinc/25/40/50/563254050.db2.gz MJIDPRBEWMTYMD-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(Cl)c1C ZINC000000437965 563254067 /nfs/dbraw/zinc/25/40/67/563254067.db2.gz JYGSDCCCPLHSHB-INIZCTEOSA-N 0 0 303.789 4.445 50 0 DIAARN O=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000000442483 563254319 /nfs/dbraw/zinc/25/43/19/563254319.db2.gz QFMIVGGIWMMZFP-UHFFFAOYSA-N 0 0 324.405 4.231 50 0 DIAARN Cc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)o1 ZINC000000443110 563254360 /nfs/dbraw/zinc/25/43/60/563254360.db2.gz MSEWEANURNVZBX-BQYQJAHWSA-N 0 0 306.159 4.002 50 0 DIAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000442449 563254371 /nfs/dbraw/zinc/25/43/71/563254371.db2.gz SBKVVGWHTLRCFR-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CCOc1ccc(-c2c(C)sc(N)c2C(=O)OC(C)C)cc1 ZINC000000442704 563254552 /nfs/dbraw/zinc/25/45/52/563254552.db2.gz DOMWCAKSBBBAMT-UHFFFAOYSA-N 0 0 319.426 4.270 50 0 DIAARN CCC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000000444434 563255092 /nfs/dbraw/zinc/25/50/92/563255092.db2.gz XLWBEMDVOIMWQB-UHFFFAOYSA-N 0 0 318.376 4.441 50 0 DIAARN O=C(Nc1ccc2ccccc2c1)Nc1ccc2nccnc2c1 ZINC000000445663 563255616 /nfs/dbraw/zinc/25/56/16/563255616.db2.gz DZZKZFKYHJTGBW-UHFFFAOYSA-N 0 0 314.348 4.427 50 0 DIAARN O=S(=O)(NC1CCCCCCC1)c1ccc2ccccc2c1 ZINC000000449862 563256101 /nfs/dbraw/zinc/25/61/01/563256101.db2.gz RTMDTQDCTJVWLA-UHFFFAOYSA-N 0 0 317.454 4.231 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CCSc1ccccc1 ZINC000000452035 563256878 /nfs/dbraw/zinc/25/68/78/563256878.db2.gz VGBHXKFKBLJEIV-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN COc1ccc(NC(=O)CCSc2ccccc2)cc1Cl ZINC000000453591 563257297 /nfs/dbraw/zinc/25/72/97/563257297.db2.gz LLVLTAAVGCJFNR-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN Cc1cc(C)cc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 ZINC000000455746 563257937 /nfs/dbraw/zinc/25/79/37/563257937.db2.gz VNNSHMQIZMGXHT-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN COc1ccc(C(=O)Sc2ccc(Cl)cc2)cc1OC ZINC000000459091 563258545 /nfs/dbraw/zinc/25/85/45/563258545.db2.gz HXZLPWRTIGTCLO-UHFFFAOYSA-N 0 0 308.786 4.290 50 0 aggregator DIAARN Cc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000000463336 563259073 /nfs/dbraw/zinc/25/90/73/563259073.db2.gz DKFDCHYVRSKAQJ-UHFFFAOYSA-N 0 0 324.424 4.003 50 0 DIAARN Cc1ccc(SCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000000465431 563259730 /nfs/dbraw/zinc/25/97/30/563259730.db2.gz DHQWRWLHNCWOAB-UHFFFAOYSA-N 0 0 318.467 4.061 50 0 DIAARN COc1ccc(CCNC(=O)Nc2cccc3ccccc32)cc1 ZINC000000472002 563260554 /nfs/dbraw/zinc/26/05/54/563260554.db2.gz UDMLNIQJUGKMQQ-UHFFFAOYSA-N 0 0 320.392 4.213 50 0 DIAARN OCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000000470420 563260627 /nfs/dbraw/zinc/26/06/27/563260627.db2.gz ZCAUYVFFDSLPOE-UHFFFAOYSA-N 0 0 301.144 4.204 50 0 DIAARN CC(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000000471786 563260669 /nfs/dbraw/zinc/26/06/69/563260669.db2.gz ALBKVJYJAIZIPG-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)s1 ZINC000000474864 563261924 /nfs/dbraw/zinc/26/19/24/563261924.db2.gz HDHLDDPDNLCXNA-UHFFFAOYSA-N 0 0 303.280 4.467 50 0 DIAARN Cc1cnn(C(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000000477199 563262213 /nfs/dbraw/zinc/26/22/13/563262213.db2.gz AOJWYLUMAXGQSF-UHFFFAOYSA-N 0 0 313.360 4.095 50 0 DIAARN CC(C)COc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000000479436 563262218 /nfs/dbraw/zinc/26/22/18/563262218.db2.gz XMGFYMRDASCWAT-UHFFFAOYSA-N 0 0 305.324 4.252 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000000477758 563262458 /nfs/dbraw/zinc/26/24/58/563262458.db2.gz HACBMVSQJYCBKE-UHFFFAOYSA-N 0 0 324.424 4.404 50 0 DIAARN O=C1N[C@@H](c2cccc(Oc3ccccc3)c2)Nc2ccccc21 ZINC000000483574 563262892 /nfs/dbraw/zinc/26/28/92/563262892.db2.gz VSCOFHPRXFGWAC-IBGZPJMESA-N 0 0 316.360 4.333 50 0 DIAARN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000000510557 563264034 /nfs/dbraw/zinc/26/40/34/563264034.db2.gz UUOKPJZLLBLEMZ-OVCLIPMQSA-N 0 0 324.424 4.193 50 0 DIAARN COc1ccc(O[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000000514298 563264060 /nfs/dbraw/zinc/26/40/60/563264060.db2.gz JFTXUIHVHINUBI-AWEZNQCLSA-N 0 0 321.376 4.254 50 0 DIAARN O=C(NC[C@H]1CCCO1)c1cc2sc3ccccc3c2s1 ZINC000000521928 563264200 /nfs/dbraw/zinc/26/42/00/563264200.db2.gz JAXPGUWEBUKIHN-SNVBAGLBSA-N 0 0 317.435 4.025 50 0 DIAARN O=C(C[C@@H](c1ccco1)c1ccc(F)cc1)Nc1nccs1 ZINC000000509833 563264274 /nfs/dbraw/zinc/26/42/74/563264274.db2.gz MVLMVSXMSNTRNG-CYBMUJFWSA-N 0 0 316.357 4.036 50 0 DIAARN COc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000514424 563264336 /nfs/dbraw/zinc/26/43/36/563264336.db2.gz BLFIVTKIOIJXIT-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn32)c1 ZINC000000533529 563265556 /nfs/dbraw/zinc/26/55/56/563265556.db2.gz LMAZXSRXTMOVNW-UHFFFAOYSA-N 0 0 306.394 4.137 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000000562905 563266498 /nfs/dbraw/zinc/26/64/98/563266498.db2.gz LNXXTQQUUBWHAR-LLVKDONJSA-N 0 0 307.365 4.393 50 0 DIAARN COc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 ZINC000000558597 563266713 /nfs/dbraw/zinc/26/67/13/563266713.db2.gz WWLHKRZTQJKBIC-UHFFFAOYSA-N 0 0 310.353 4.098 50 0 DIAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(F)cc1 ZINC000000569380 563267214 /nfs/dbraw/zinc/26/72/14/563267214.db2.gz ICLBTYNISFPRMU-UHFFFAOYSA-N 0 0 318.779 4.332 50 0 DIAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1 ZINC000001002848 563274046 /nfs/dbraw/zinc/27/40/46/563274046.db2.gz VQZUWUMKYZMARD-UHFFFAOYSA-N 0 0 315.587 4.223 50 0 DIAARN CCn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000000572725 563267709 /nfs/dbraw/zinc/26/77/09/563267709.db2.gz GEQBDFRSENVDRQ-UHFFFAOYSA-N 0 0 301.187 4.486 50 0 DIAARN Cc1ccc(N2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000000608492 563268106 /nfs/dbraw/zinc/26/81/06/563268106.db2.gz HNHAAEPASPXPRB-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN Nc1c2cc3c(nc2sc1C(=O)c1cccs1)CCCC3 ZINC000000587007 563268219 /nfs/dbraw/zinc/26/82/19/563268219.db2.gz NKIQAZLECYEDLU-UHFFFAOYSA-N 0 0 314.435 4.050 50 0 DIAARN C[C@@H](c1ccccc1)N1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000000608583 563268274 /nfs/dbraw/zinc/26/82/74/563268274.db2.gz JHAWAUUVCWMSHB-NSHDSACASA-N 0 0 315.829 4.497 50 0 DIAARN CCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000000609209 563268284 /nfs/dbraw/zinc/26/82/84/563268284.db2.gz SBABFWCEKQOOOE-UHFFFAOYSA-N 0 0 300.358 4.046 50 0 DIAARN CCOc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000000609916 563268764 /nfs/dbraw/zinc/26/87/64/563268764.db2.gz XRYNNBNMRLIYKU-NSHDSACASA-N 0 0 320.339 4.246 50 0 DIAARN Cc1nc(C)c(-c2csc(Nc3ccc(C)cn3)n2)s1 ZINC000000613452 563269430 /nfs/dbraw/zinc/26/94/30/563269430.db2.gz CKADCKVRGQAUAK-UHFFFAOYSA-N 0 0 302.428 4.330 50 0 DIAARN CCc1ccc2oc(C(=O)NCc3ccc(OC)cc3)c(C)c2c1 ZINC000000615665 563269909 /nfs/dbraw/zinc/26/99/09/563269909.db2.gz YIKCHDYIEBIVQL-UHFFFAOYSA-N 0 0 323.392 4.242 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1C ZINC000000618693 563270388 /nfs/dbraw/zinc/27/03/88/563270388.db2.gz HXBKFKGENYBOBT-UHFFFAOYSA-N 0 0 323.845 4.374 50 0 DIAARN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)N1CCCC1 ZINC000000618776 563270507 /nfs/dbraw/zinc/27/05/07/563270507.db2.gz CKOYIYXDWNYION-UHFFFAOYSA-N 0 0 311.168 4.136 50 0 DIAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026362 563271141 /nfs/dbraw/zinc/27/11/41/563271141.db2.gz PHHFRLQOOMKCHB-CQSZACIVSA-N 0 0 316.228 4.084 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000000621287 563271148 /nfs/dbraw/zinc/27/11/48/563271148.db2.gz AVUHNGKKSVCRTQ-LLVKDONJSA-N 0 0 307.365 4.393 50 0 DIAARN O=C(c1ccco1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000000620277 563271303 /nfs/dbraw/zinc/27/13/03/563271303.db2.gz VEIXLXIVAMCBLZ-SFHVURJKSA-N 0 0 316.360 4.271 50 0 DIAARN O=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000000732161 563271824 /nfs/dbraw/zinc/27/18/24/563271824.db2.gz IDXLMJHZUJKUQZ-UHFFFAOYSA-N 0 0 300.720 4.144 50 0 DIAARN CCC(CC)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000000804645 563271969 /nfs/dbraw/zinc/27/19/69/563271969.db2.gz BJLQXIDMXPQJKG-UHFFFAOYSA-N 0 0 309.822 4.347 50 0 DIAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)C3CCCCC3)c12 ZINC000000858680 563272335 /nfs/dbraw/zinc/27/23/35/563272335.db2.gz CCIRREXCHGCHOG-UHFFFAOYSA-N 0 0 314.381 4.150 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)Nc2ccccc2Cl)cc1 ZINC000000859042 563272353 /nfs/dbraw/zinc/27/23/53/563272353.db2.gz QMNYMMDGWFPLCB-UHFFFAOYSA-N 0 0 301.773 4.250 50 0 DIAARN COc1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl ZINC000000859453 563272513 /nfs/dbraw/zinc/27/25/13/563272513.db2.gz QYCCZPDWYJQDNS-UHFFFAOYSA-N 0 0 301.729 4.347 50 0 DIAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000000868817 563273255 /nfs/dbraw/zinc/27/32/55/563273255.db2.gz QIJSOMHUEWLUNS-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN O=C(Oc1ccc2c(Br)cccc2c1)c1ccco1 ZINC000001017097 563274501 /nfs/dbraw/zinc/27/45/01/563274501.db2.gz REDHPCHGBGNTAZ-UHFFFAOYSA-N 0 0 317.138 4.415 50 0 DIAARN CN1c2ccccc2[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000001041027 563274900 /nfs/dbraw/zinc/27/49/00/563274900.db2.gz RVQJSHAQTZXWAJ-JOCHJYFZSA-N 0 0 313.400 4.192 50 0 DIAARN O=C(Nc1nnc(C2CCCCC2)s1)c1c(F)cccc1F ZINC000001054762 563275669 /nfs/dbraw/zinc/27/56/69/563275669.db2.gz OXKYOUCTBWTFAD-UHFFFAOYSA-N 0 0 323.368 4.116 50 0 DIAARN Cc1occc1C(=O)Nc1ccc(Br)cc1Cl ZINC000001053738 563275732 /nfs/dbraw/zinc/27/57/32/563275732.db2.gz SEOGMGQHJMNFJN-UHFFFAOYSA-N 0 0 314.566 4.256 50 0 DIAARN CC[C@@H](NC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000001052146 563275744 /nfs/dbraw/zinc/27/57/44/563275744.db2.gz JLJUMCBNNNGYBG-LLVKDONJSA-N 0 0 324.243 4.392 50 0 DIAARN O=C(Nc1ccccn1)c1sc2cccc(F)c2c1Cl ZINC000001052235 563275877 /nfs/dbraw/zinc/27/58/77/563275877.db2.gz QJFIHMHMBUXRIV-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CC[C@@]12CCC3=C(Cc4cc(OC)ccc43)C1=CC[C@@H]2OC(C)=O ZINC000001068130 563276404 /nfs/dbraw/zinc/27/64/04/563276404.db2.gz SHZBITUMQGFCLM-LEWJYISDSA-N 0 0 324.420 4.457 50 0 DIAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1ccccc1 ZINC000001056338 563276411 /nfs/dbraw/zinc/27/64/11/563276411.db2.gz ABTWROPXFRYGQQ-UHFFFAOYSA-N 0 0 319.408 4.109 50 0 DIAARN CCc1sc(NC(=O)c2cccnc2)nc1-c1ccccc1 ZINC000001055351 563276503 /nfs/dbraw/zinc/27/65/03/563276503.db2.gz IBBHNMJNOQCHTN-UHFFFAOYSA-N 0 0 309.394 4.020 50 0 DIAARN CCOc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(C)=O ZINC000001077163 563277009 /nfs/dbraw/zinc/27/70/09/563277009.db2.gz LAHPMOFMMMPVQD-IBGZPJMESA-N 0 0 322.408 4.091 50 0 DIAARN COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O ZINC000001070216 563277095 /nfs/dbraw/zinc/27/70/95/563277095.db2.gz SQVFNNNOBSYIMJ-LEWJYISDSA-N 0 0 324.420 4.457 50 0 DIAARN CCOc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000001070039 563277312 /nfs/dbraw/zinc/27/73/12/563277312.db2.gz ZXMIYLZLJPEUPN-UHFFFAOYSA-N 0 0 300.745 4.456 50 0 DIAARN Cc1cc2occ(CC(=O)N[C@@H](C)c3ccccc3)c2c(C)c1 ZINC000001105724 563277982 /nfs/dbraw/zinc/27/79/82/563277982.db2.gz MDHILRXPEVWLJT-HNNXBMFYSA-N 0 0 307.393 4.470 50 0 DIAARN Cc1ccccc1COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001164909 563278584 /nfs/dbraw/zinc/27/85/84/563278584.db2.gz IWRWSVPQIZJBJT-UHFFFAOYSA-N 0 0 306.361 4.169 50 0 DIAARN CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001184115 563278740 /nfs/dbraw/zinc/27/87/40/563278740.db2.gz WXDLWHMDXBDESX-UHFFFAOYSA-N 0 0 315.416 4.309 50 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CCCOc1ccc(C=CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000001778132 563295673 /nfs/dbraw/zinc/29/56/73/563295673.db2.gz PXHUKVRAAUFGPU-AWNIVKPZSA-N 0 0 323.392 4.330 50 0 DIAARN O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1F ZINC000001775880 563295953 /nfs/dbraw/zinc/29/59/53/563295953.db2.gz RBRDGRHWPWNPNR-UHFFFAOYSA-N 0 0 307.752 4.277 50 0 DIAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000001848692 563296383 /nfs/dbraw/zinc/29/63/83/563296383.db2.gz QAHOQNJVHDHYRN-SLHNCBLASA-N 0 0 314.425 4.180 50 0 aggregator,in-vitro DIAARN CCOc1ccc(NC(=O)Nc2ccc(OCC)cc2)cc1 ZINC000001866997 563296944 /nfs/dbraw/zinc/29/69/44/563296944.db2.gz PQWHYODXTBJHQG-UHFFFAOYSA-N 0 0 300.358 4.128 50 0 DIAARN Cc1cccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000002069676 563298806 /nfs/dbraw/zinc/29/88/06/563298806.db2.gz FDIZNXAYXLZKRY-UHFFFAOYSA-N 0 0 304.411 4.060 50 0 DIAARN O=S(=O)(Oc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000002057647 563298896 /nfs/dbraw/zinc/29/88/96/563298896.db2.gz BDGXTVHMBYWKBL-UHFFFAOYSA-N 0 0 318.781 4.261 50 0 DIAARN CCc1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000002051893 563299151 /nfs/dbraw/zinc/29/91/51/563299151.db2.gz IGAILFZQCJUENO-UHFFFAOYSA-N 0 0 305.377 4.420 50 0 DIAARN CCCCOC(=O)c1ccc(OC(=O)C2CCCCC2)cc1 ZINC000002065830 563299161 /nfs/dbraw/zinc/29/91/61/563299161.db2.gz JCHURNQFILFHTJ-UHFFFAOYSA-N 0 0 304.386 4.129 50 0 DIAARN O=C(NCCCc1ccccc1)C1(c2ccccc2)CCCC1 ZINC000002054368 563299215 /nfs/dbraw/zinc/29/92/15/563299215.db2.gz BLEILLJOQSXWDE-UHFFFAOYSA-N 0 0 307.437 4.247 50 0 DIAARN CC[C@H](C)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000071889943 563299723 /nfs/dbraw/zinc/29/97/23/563299723.db2.gz OZDAMKUXZNCXBL-LBPRGKRZSA-N 0 0 320.820 4.333 50 0 DIAARN CCC(=O)[C@H](C)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1 ZINC000002074652 563299735 /nfs/dbraw/zinc/29/97/35/563299735.db2.gz PGMKJVNNBZNCIM-HNAYVOBHSA-N 0 0 309.409 4.115 50 0 DIAARN COc1ccc(OC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002172706 563300864 /nfs/dbraw/zinc/30/08/64/563300864.db2.gz GFXUHTFRZGLVOT-UHFFFAOYSA-N 0 0 311.259 4.325 50 0 DIAARN Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1Br ZINC000002198326 563301337 /nfs/dbraw/zinc/30/13/37/563301337.db2.gz JQTICEAGYDMSIF-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002282084 563302423 /nfs/dbraw/zinc/30/24/23/563302423.db2.gz HVQKGPMUYJUWJI-GHRIWEEISA-N 0 0 315.328 4.291 50 0 DIAARN Cc1nn2c(nc(C)c3c2CC(C)(C)CC3=O)c1-c1ccccc1 ZINC000002350165 563302954 /nfs/dbraw/zinc/30/29/54/563302954.db2.gz RIUGGPHUTGWIIL-UHFFFAOYSA-N 0 0 319.408 4.168 50 0 DIAARN Cc1nn2c(nc(C)cc2NC2CCCC2)c1-c1ccccc1 ZINC000002408641 563303642 /nfs/dbraw/zinc/30/36/42/563303642.db2.gz QVXSMTHKFBACMS-UHFFFAOYSA-N 0 0 306.413 4.368 50 0 DIAARN CCn1c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000002462420 563303912 /nfs/dbraw/zinc/30/39/12/563303912.db2.gz KBTUTUFNNRULAD-UHFFFAOYSA-N 0 0 308.410 4.225 50 0 DIAARN Cc1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)cc1 ZINC000002488465 563304627 /nfs/dbraw/zinc/30/46/27/563304627.db2.gz IIUUEVWGVRUVEG-UHFFFAOYSA-N 0 0 322.393 4.214 50 0 DIAARN O=P(Oc1ccccc1)(Oc1ccccc1)N1CCCC1 ZINC000002506187 563305001 /nfs/dbraw/zinc/30/50/01/563305001.db2.gz DSQBKNOVOLZUNZ-UHFFFAOYSA-N 0 0 303.298 4.348 50 0 DIAARN COc1ccc(-n2nc(C)c(-c3ccc(Cl)cc3)c2N)cc1 ZINC000002508492 563305423 /nfs/dbraw/zinc/30/54/23/563305423.db2.gz BGQRPOYHJIYURA-UHFFFAOYSA-N 0 0 313.788 4.092 50 0 DIAARN CCOC(=O)c1ccc(C(=O)CCc2ccc(Cl)cc2)cc1 ZINC000002517275 563306543 /nfs/dbraw/zinc/30/65/43/563306543.db2.gz LJTOYEWGSIDVCG-UHFFFAOYSA-N 0 0 316.784 4.332 50 0 DIAARN O=C(CCc1cccc(F)c1)c1cccc(Br)c1 ZINC000002517330 563306698 /nfs/dbraw/zinc/30/66/98/563306698.db2.gz JVYYAIMYAAVKFG-UHFFFAOYSA-N 0 0 307.162 4.404 50 0 DIAARN CCOC(=O)c1ccccc1C(=O)CCc1c(C)cccc1C ZINC000002517585 563307171 /nfs/dbraw/zinc/30/71/71/563307171.db2.gz KEXXPYKICBJTDP-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN CCOC(=O)c1ccccc1C(=O)CCc1cc(C)cc(C)c1 ZINC000002517689 563307213 /nfs/dbraw/zinc/30/72/13/563307213.db2.gz FOCVVPGZRHVDHF-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN Cc1nn(C)c2nc3ccccc3c(Nc3ccc(C)cc3)c12 ZINC000002529551 563307850 /nfs/dbraw/zinc/30/78/50/563307850.db2.gz DIEZMTYAVRCVMO-UHFFFAOYSA-N 0 0 302.381 4.482 50 0 DIAARN COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O ZINC000002522581 563307961 /nfs/dbraw/zinc/30/79/61/563307961.db2.gz XJQPQKLURWNAAH-UHFFFAOYSA-N 0 0 307.434 4.014 50 0 endogenous,in-man DIAARN COc1cc(Cl)ccc1C(=O)N(c1ccccc1)C(C)C ZINC000002532633 563308474 /nfs/dbraw/zinc/30/84/74/563308474.db2.gz AICBKVPRNNHYPV-UHFFFAOYSA-N 0 0 303.789 4.404 50 0 DIAARN Cc1c(Br)c2ccccc2n1C(=O)OC(C)(C)C ZINC000002563796 563309028 /nfs/dbraw/zinc/30/90/28/563309028.db2.gz RUAYZSFSPSZYHI-UHFFFAOYSA-N 0 0 310.191 4.495 50 0 DIAARN Brc1ccc2c3c(ccc(Br)c31)CC2 ZINC000002556996 563309155 /nfs/dbraw/zinc/30/91/55/563309155.db2.gz UXSHNPXCELYWAW-UHFFFAOYSA-N 0 0 312.004 4.463 50 0 DIAARN FC(F)(F)Oc1cc(Br)ccc1Br ZINC000002556117 563309167 /nfs/dbraw/zinc/30/91/67/563309167.db2.gz WVMFAEDJOGXROT-UHFFFAOYSA-N 0 0 319.902 4.110 50 0 DIAARN CCCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002582405 563310270 /nfs/dbraw/zinc/31/02/70/563310270.db2.gz VKDDLGQEGYOWJZ-UHFFFAOYSA-N 0 0 314.229 4.256 50 0 DIAARN COc1ccc2nc(NC(=O)CCC3CCCC3)sc2c1 ZINC000002629960 563311368 /nfs/dbraw/zinc/31/13/68/563311368.db2.gz HREHICFXIVRDEZ-UHFFFAOYSA-N 0 0 304.415 4.214 50 0 DIAARN Cc1cccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)c1 ZINC000002736613 563311760 /nfs/dbraw/zinc/31/17/60/563311760.db2.gz FBJFZWJQYUEFAL-UHFFFAOYSA-N 0 0 313.360 4.095 50 0 DIAARN O=C(Nc1nccs1)c1ccc(CSc2ccccc2)o1 ZINC000002708434 563311932 /nfs/dbraw/zinc/31/19/32/563311932.db2.gz ZRWBLUCDUSOAFY-UHFFFAOYSA-N 0 0 316.407 4.281 50 0 DIAARN CCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000002733982 563311974 /nfs/dbraw/zinc/31/19/74/563311974.db2.gz NRWODUFCOAXXBA-LLVKDONJSA-N 0 0 323.458 4.178 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCCC(C)C)c(C)c1 ZINC000002743583 563312328 /nfs/dbraw/zinc/31/23/28/563312328.db2.gz MNQJEWZIUJGGTI-INIZCTEOSA-N 0 0 311.491 4.105 50 0 DIAARN CCCC[C@H](CC)CNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000002774854 563313043 /nfs/dbraw/zinc/31/30/43/563313043.db2.gz QJMOHANEQXQQLC-INIZCTEOSA-N 0 0 311.491 4.107 50 0 DIAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl ZINC000002764657 563313072 /nfs/dbraw/zinc/31/30/72/563313072.db2.gz BBDBLWIJSKQHIG-UHFFFAOYSA-N 0 0 315.800 4.155 50 0 DIAARN CCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000002857953 563314985 /nfs/dbraw/zinc/31/49/85/563314985.db2.gz PBVLZRXMKBGMID-UHFFFAOYSA-N 0 0 322.408 4.018 50 0 DIAARN O=C(NCCOc1ccccc1-c1ccccc1)c1cccs1 ZINC000002863249 563315386 /nfs/dbraw/zinc/31/53/86/563315386.db2.gz NUTKGRQSKBMOAP-UHFFFAOYSA-N 0 0 323.417 4.224 50 0 DIAARN COc1c(C(=O)Nc2cccc([C@H](C)O)c2)ccc2ccccc21 ZINC000002879014 563316094 /nfs/dbraw/zinc/31/60/94/563316094.db2.gz LADNPHAMVLHBDT-ZDUSSCGKSA-N 0 0 321.376 4.154 50 0 DIAARN O=C(CCCc1ccccc1)Nc1ccccc1Br ZINC000002874179 563316123 /nfs/dbraw/zinc/31/61/23/563316123.db2.gz QFLJHMOUGAOZEN-UHFFFAOYSA-N 0 0 318.214 4.411 50 0 DIAARN Cc1ccccc1NC(=O)Nc1ccccc1Br ZINC000002886130 563316905 /nfs/dbraw/zinc/31/69/05/563316905.db2.gz ZZGDHLONRSGMOB-UHFFFAOYSA-N 0 0 305.175 4.402 50 0 DIAARN COc1ccc2cc(NC=C3C(=O)Nc4ccccc43)ccc2c1 ZINC000002914146 563317607 /nfs/dbraw/zinc/31/76/07/563317607.db2.gz XBDBAENVFANSCX-PDGQHHTCSA-N 0 0 316.360 4.254 50 0 DIAARN CCOc1ccccc1OCCCOc1ccc(C)cc1OC ZINC000002984193 563318580 /nfs/dbraw/zinc/31/85/80/563318580.db2.gz JBLDMUALHCLQPU-UHFFFAOYSA-N 0 0 316.397 4.250 50 0 DIAARN COc1cccc(OCCOc2cc(C)c(Cl)c(C)c2)c1 ZINC000002984365 563319413 /nfs/dbraw/zinc/31/94/13/563319413.db2.gz IPUSRMJJAAZAFG-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN COc1cccc(OC)c1OCCOc1cc(C)ccc1Cl ZINC000002987092 563319953 /nfs/dbraw/zinc/31/99/53/563319953.db2.gz NUMXKVBJYRNBHQ-UHFFFAOYSA-N 0 0 322.788 4.123 50 0 DIAARN CC(C)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000002990603 563319994 /nfs/dbraw/zinc/31/99/94/563319994.db2.gz NDWJQJHAROZGER-UHFFFAOYSA-N 0 0 303.446 4.418 50 0 DIAARN CCOc1ccc(OCCCCOc2ccccc2C=O)cc1 ZINC000002991243 563320025 /nfs/dbraw/zinc/32/00/25/563320025.db2.gz ADPMPJVZHHIESJ-UHFFFAOYSA-N 0 0 314.381 4.136 50 0 DIAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1 ZINC000003117650 563321678 /nfs/dbraw/zinc/32/16/78/563321678.db2.gz PLKUVZQRIFAWAI-UHFFFAOYSA-N 0 0 318.785 4.212 50 0 DIAARN CC(=O)O[C@@H](C)Cc1cc2ccc1CCc1ccc(cc1)CC2 ZINC000003136802 563322261 /nfs/dbraw/zinc/32/22/61/563322261.db2.gz SQJCWKMSKGDPQT-HNNXBMFYSA-N 0 0 308.421 4.065 50 0 DIAARN Cc1cccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)c1 ZINC000003131942 563322538 /nfs/dbraw/zinc/32/25/38/563322538.db2.gz NROVIXHXCNPCBH-UHFFFAOYSA-N 0 0 313.356 4.047 50 0 DIAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C1CCC1 ZINC000034794709 563323579 /nfs/dbraw/zinc/32/35/79/563323579.db2.gz DVJQFFBNYMKQSP-UHFFFAOYSA-N 0 0 317.820 4.421 50 0 DIAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccccc1 ZINC000034795075 563323879 /nfs/dbraw/zinc/32/38/79/563323879.db2.gz DYQNTRDFGNETBJ-UHFFFAOYSA-N 0 0 323.371 4.421 50 0 DIAARN CCCCOc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cn1 ZINC000034839760 563323911 /nfs/dbraw/zinc/32/39/11/563323911.db2.gz VJLGLKFEDWQIQZ-KRWDZBQOSA-N 0 0 312.413 4.393 50 0 DIAARN Cc1csc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)c1 ZINC000034907493 563324261 /nfs/dbraw/zinc/32/42/61/563324261.db2.gz OCFCKBWGNXHYIB-UHFFFAOYSA-N 0 0 317.801 4.148 50 0 DIAARN Cc1ccccc1-c1nc(COc2ccc(Cl)cc2F)no1 ZINC000034906959 563324336 /nfs/dbraw/zinc/32/43/36/563324336.db2.gz NYDPXHAUYLBARU-UHFFFAOYSA-N 0 0 318.735 4.417 50 0 DIAARN Cc1cc(NC(=O)/C=C/c2ccccc2)nn1-c1cccc(C)c1 ZINC000034907589 563324468 /nfs/dbraw/zinc/32/44/68/563324468.db2.gz UOMCYGQZMBMGCX-VAWYXSNFSA-N 0 0 317.392 4.141 50 0 DIAARN Cc1ccc(OCc2noc(-c3cccc(Cl)c3)n2)cc1 ZINC000034907046 563324502 /nfs/dbraw/zinc/32/45/02/563324502.db2.gz COJNMCKPGBBWJF-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN CCc1cc(NC(=O)c2cccc(F)c2)nn1-c1cccc(C)c1 ZINC000034907408 563324579 /nfs/dbraw/zinc/32/45/79/563324579.db2.gz STXVDSAIKBYQGT-UHFFFAOYSA-N 0 0 323.371 4.135 50 0 DIAARN CCn1nc(-c2cccc(F)c2)cc1C(=O)Nc1cccc(C)c1 ZINC000034903555 563324633 /nfs/dbraw/zinc/32/46/33/563324633.db2.gz JGQZTZPVGLNUIE-UHFFFAOYSA-N 0 0 323.371 4.270 50 0 DIAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)C1CC1 ZINC000034912541 563325124 /nfs/dbraw/zinc/32/51/24/563325124.db2.gz KWSGORLJMZHADH-UHFFFAOYSA-N 0 0 311.772 4.003 50 0 DIAARN CCCC(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21 ZINC000034913288 563325231 /nfs/dbraw/zinc/32/52/31/563325231.db2.gz KHRPFUXCFVFIKK-UHFFFAOYSA-N 0 0 311.360 4.187 50 0 DIAARN CCCn1nc(-c2cc(C)sc2C)cc1C(=O)N[C@@H](C)CC ZINC000034902416 563325309 /nfs/dbraw/zinc/32/53/09/563325309.db2.gz DTTNJMJCSQRAGI-NSHDSACASA-N 0 0 319.474 4.167 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003849851 563325635 /nfs/dbraw/zinc/32/56/35/563325635.db2.gz WYZDXEKUWRCKOB-XDQPPUBWSA-N 0 0 304.474 4.349 50 0 DIAARN O[C@]1(c2ccccc2)Oc2ccccc2N=C1c1ccccc1 ZINC000004344093 563327188 /nfs/dbraw/zinc/32/71/88/563327188.db2.gz IEMSNWKDTDMZQQ-HXUWFJFHSA-N 0 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ZINC000036621057 563455871 /nfs/dbraw/zinc/45/58/71/563455871.db2.gz IHDLCSBFMWWFSA-KRWDZBQOSA-N 0 0 314.360 4.203 50 0 DIAARN Cc1cc(C)n(-c2ncnc3scc(-c4cccs4)c32)n1 ZINC000036646076 563456376 /nfs/dbraw/zinc/45/63/76/563456376.db2.gz KAENIOMSQGNQPR-UHFFFAOYSA-N 0 0 312.423 4.222 50 0 DIAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000032978364 563457165 /nfs/dbraw/zinc/45/71/65/563457165.db2.gz JBUAXNSJHJIDJZ-AWEZNQCLSA-N 0 0 306.365 4.141 50 0 DIAARN O=C(NCCc1cccs1)c1sccc1-c1ccccc1 ZINC000032988760 563458960 /nfs/dbraw/zinc/45/89/60/563458960.db2.gz VCWHCCVRTMMPNZ-UHFFFAOYSA-N 0 0 313.447 4.449 50 0 DIAARN COP(=O)(CN(Cc1ccccc1)Cc1ccccc1)OC ZINC000097929751 563459213 /nfs/dbraw/zinc/45/92/13/563459213.db2.gz SUDGEFCSSBZGLG-UHFFFAOYSA-N 0 0 319.341 4.132 50 0 DIAARN CSCc1c2ccccc2oc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000032997999 563460311 /nfs/dbraw/zinc/46/03/11/563460311.db2.gz OKZFSHCCJSVVIK-STQMWFEESA-N 0 0 317.454 4.414 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2)cc1 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Clc1ccccc1N1CCN(C2=Cc3ccccc3CC2)CC1 ZINC000055145713 563471938 /nfs/dbraw/zinc/47/19/38/563471938.db2.gz RWOJTWXGHWXWQB-UHFFFAOYSA-N 0 0 324.855 4.449 50 0 DIAARN CC[C@@H](C)N(Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000055195490 563472591 /nfs/dbraw/zinc/47/25/91/563472591.db2.gz PVKSQDJZBKWPCL-CYBMUJFWSA-N 0 0 307.821 4.226 50 0 DIAARN O=C([C@@H]1CC=CCC1)N(Cc1nccs1)Cc1ccccc1 ZINC000055244346 563472638 /nfs/dbraw/zinc/47/26/38/563472638.db2.gz NSKVQCBWVGMOID-MRXNPFEDSA-N 0 0 312.438 4.028 50 0 DIAARN CC(C)CC[C@@H](c1ccccc1)N(C)C(=O)Cc1ccncc1 ZINC000055326492 563474716 /nfs/dbraw/zinc/47/47/16/563474716.db2.gz IEZRXRXLRXZOSP-IBGZPJMESA-N 0 0 310.441 4.260 50 0 DIAARN Cc1ccc(NCCC(=O)c2ccco2)cc1Br ZINC000004622403 563475402 /nfs/dbraw/zinc/47/54/02/563475402.db2.gz LYKWHZDNYYNVJR-UHFFFAOYSA-N 0 0 308.175 4.035 50 0 DIAARN Cc1nc(CCc2ccccc2)sc1C(=O)Nc1ccccc1 ZINC000058369939 563478416 /nfs/dbraw/zinc/47/84/16/563478416.db2.gz JRHXAPGCUHFKTH-UHFFFAOYSA-N 0 0 322.433 4.489 50 0 DIAARN O=[S@@](Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000058158368 563478462 /nfs/dbraw/zinc/47/84/62/563478462.db2.gz BSPHHHBQEMIJLK-NRFANRHFSA-N 0 0 316.319 4.293 50 0 DIAARN O=C(NCC1(c2ccccc2)CCC1)c1ccc2ccccc2n1 ZINC000011178246 563478631 /nfs/dbraw/zinc/47/86/31/563478631.db2.gz VULSQBXEUMULRT-UHFFFAOYSA-N 0 0 316.404 4.087 50 0 DIAARN Cc1csc(CN(C)[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000096421153 563480645 /nfs/dbraw/zinc/48/06/45/563480645.db2.gz JUGZZFFLFNHQMK-CYBMUJFWSA-N 0 0 313.426 4.300 50 0 DIAARN c1nc(CSc2nnc(-c3cc4ccccc4o3)o2)cs1 ZINC000096452655 563483166 /nfs/dbraw/zinc/48/31/66/563483166.db2.gz ANEDTCLDOAJBAL-UHFFFAOYSA-N 0 0 315.379 4.232 50 0 DIAARN CCOCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000096461433 563483552 /nfs/dbraw/zinc/48/35/52/563483552.db2.gz WBOSTJBHLOTTEN-WBVHZDCISA-N 0 0 302.418 4.020 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)on1 ZINC000064985116 563486650 /nfs/dbraw/zinc/48/66/50/563486650.db2.gz MZKZKWFJOBPQHJ-CQSZACIVSA-N 0 0 319.792 4.259 50 0 DIAARN CO[C@H](C)c1cccc(-c2nc(C(F)(F)F)nc(C)c2C)c1 ZINC000067472882 563487974 /nfs/dbraw/zinc/48/79/74/563487974.db2.gz OIDDOUFZMOUQMM-LLVKDONJSA-N 0 0 310.319 4.487 50 0 DIAARN Cc1ccc(-c2noc([C@H](C)n3ccnc3C(C)(C)C)n2)cc1 ZINC000067643459 563488527 /nfs/dbraw/zinc/48/85/27/563488527.db2.gz UWYQNTHHHRJXNT-ZDUSSCGKSA-N 0 0 310.401 4.148 50 0 DIAARN Cc1cn(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)cn1 ZINC000067713338 563489904 /nfs/dbraw/zinc/48/99/04/563489904.db2.gz CAQFACVGQZYAFD-UHFFFAOYSA-N 0 0 321.302 4.222 50 0 DIAARN C[C@H](c1nccs1)n1ccnc1-c1cc(-c2ccccc2)no1 ZINC000067820310 563491606 /nfs/dbraw/zinc/49/16/06/563491606.db2.gz YBMQTWYXAWOBGC-GFCCVEGCSA-N 0 0 322.393 4.271 50 0 DIAARN CCc1ccc2occ(CC(=O)N(C)[C@@H](C)c3ccncc3)c2c1 ZINC000067954277 563494032 /nfs/dbraw/zinc/49/40/32/563494032.db2.gz UYEPJHYCYSVGBD-AWEZNQCLSA-N 0 0 322.408 4.152 50 0 DIAARN COC(=O)c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1 ZINC000068675257 563495428 /nfs/dbraw/zinc/49/54/28/563495428.db2.gz KVDVGYGARSSYPT-UHFFFAOYSA-N 0 0 302.333 4.170 50 0 DIAARN O=Cc1cn(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1 ZINC000068675304 563495874 /nfs/dbraw/zinc/49/58/74/563495874.db2.gz OILVTLIHTGMWLI-UHFFFAOYSA-N 0 0 316.282 4.371 50 0 DIAARN O=C1OC2(CCCC2)OC(c2ccccc2)=C1c1ccccc1 ZINC000004659019 563496461 /nfs/dbraw/zinc/49/64/61/563496461.db2.gz JJMINGVYAGASHJ-UHFFFAOYSA-N 0 0 306.361 4.399 50 0 DIAARN CCOc1ccc(NC(=O)c2cccnc2-c2cccs2)cc1 ZINC000033139029 563497272 /nfs/dbraw/zinc/49/72/72/563497272.db2.gz CUEHTIZBELQLMY-UHFFFAOYSA-N 0 0 324.405 4.461 50 0 DIAARN c1nnc(SCc2cccc3cccnc32)n1-c1ccccc1 ZINC000011222893 563497962 /nfs/dbraw/zinc/49/79/62/563497962.db2.gz UUEYLSQMPSDUIV-UHFFFAOYSA-N 0 0 318.405 4.108 50 0 DIAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000035675 563498463 /nfs/dbraw/zinc/49/84/63/563498463.db2.gz JNPWUZXLJHEHNB-OAHLLOKOSA-N 0 0 307.752 4.275 50 0 DIAARN C[C@@]12CCc3ccccc3[C@@]1(C)N(CCc1ccccc1)C(=O)O2 ZINC000004686492 563498607 /nfs/dbraw/zinc/49/86/07/563498607.db2.gz KAINGYYOEYQZJU-NHCUHLMSSA-N 0 0 321.420 4.302 50 0 DIAARN Fc1cccc(F)c1CC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000071575534 563499510 /nfs/dbraw/zinc/49/95/10/563499510.db2.gz WNALQPOYRBXIJJ-OAHLLOKOSA-N 0 0 316.395 4.205 50 0 DIAARN CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000071415951 563499597 /nfs/dbraw/zinc/49/95/97/563499597.db2.gz ZFLDTFYJETVVJS-CYBMUJFWSA-N 0 0 303.789 4.160 50 0 DIAARN Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3ccccc3)s2)c1 ZINC000033251620 563501922 /nfs/dbraw/zinc/50/19/22/563501922.db2.gz VHMCTJIOFRXYON-UHFFFAOYSA-N 0 0 323.421 4.317 50 0 DIAARN c1cc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cs1 ZINC000008102556 563504041 /nfs/dbraw/zinc/50/40/41/563504041.db2.gz WPXIOXDXPXERJY-UHFFFAOYSA-N 0 0 301.392 4.310 50 0 DIAARN Cc1ccc([C@@H](NC(=O)COc2ccc(C)c(C)c2)C2CC2)cc1 ZINC000011234292 563504495 /nfs/dbraw/zinc/50/44/95/563504495.db2.gz JMLDXMCQGKKUDC-OAQYLSRUSA-N 0 0 323.436 4.258 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)C(=S)NC2CCCCC2)cc1 ZINC000000031508 563505228 /nfs/dbraw/zinc/50/52/28/563505228.db2.gz HHBJRKJBEOCRLS-CYBMUJFWSA-N 0 0 318.486 4.388 50 0 DIAARN O=C(CSc1ccccn1)Nc1ccc(Cl)c(Cl)c1 ZINC000000031457 563505553 /nfs/dbraw/zinc/50/55/53/563505553.db2.gz XXAMDZSAEHGCDZ-UHFFFAOYSA-N 0 0 313.209 4.119 50 0 DIAARN CC(=O)c1ccc2ccccc2c1OC[C@H](O)c1ccccc1 ZINC000097139500 563506601 /nfs/dbraw/zinc/50/66/01/563506601.db2.gz FADQKZRQWFGTSF-IBGZPJMESA-N 0 0 306.361 4.155 50 0 DIAARN CCc1ccc2c3c(c(C)[nH]c31)CCN1C(=O)OC(C)(C)[C@@]21C ZINC000000036831 563507696 /nfs/dbraw/zinc/50/76/96/563507696.db2.gz HXWKCRCFOIIZCK-LJQANCHMSA-N 0 0 312.413 4.041 50 0 DIAARN COc1cccc([C@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000077302488 563508373 /nfs/dbraw/zinc/50/83/73/563508373.db2.gz LTNSALRQJAEDJU-OAHLLOKOSA-N 0 0 301.411 4.124 50 0 DIAARN O=C(c1ccc(F)cc1F)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077300061 563508421 /nfs/dbraw/zinc/50/84/21/563508421.db2.gz NJPWJYVGHIAIEY-KRWDZBQOSA-N 0 0 319.326 4.471 50 0 DIAARN Fc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000000041134 563508498 /nfs/dbraw/zinc/50/84/98/563508498.db2.gz VXBRSDFETOOMOF-UHFFFAOYSA-N 0 0 324.764 4.017 50 0 DIAARN Fc1ccc2[nH]c([C@@H]3CCCN3Cc3ccsc3)nc2c1 ZINC000077300715 563508698 /nfs/dbraw/zinc/50/86/98/563508698.db2.gz OTATZFDTAXPHTC-HNNXBMFYSA-N 0 0 301.390 4.101 50 0 DIAARN CC(C)c1cc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)no1 ZINC000077353921 563509042 /nfs/dbraw/zinc/50/90/42/563509042.db2.gz YMZCTKBPSZIFQS-GFCCVEGCSA-N 0 0 318.804 4.081 50 0 DIAARN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cc[nH]c1 ZINC000077353322 563509165 /nfs/dbraw/zinc/50/91/65/563509165.db2.gz JVRGPHKZXGRSLK-UHFFFAOYSA-N 0 0 306.365 4.079 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H](C)c1nccs1 ZINC000077355270 563509365 /nfs/dbraw/zinc/50/93/65/563509365.db2.gz JPAKEYLPRONVMX-JTQLQIEISA-N 0 0 318.373 4.170 50 0 DIAARN CCCCCNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033297987 563518451 /nfs/dbraw/zinc/51/84/51/563518451.db2.gz ODVLGFOADSUQMZ-UHFFFAOYSA-N 0 0 313.426 4.007 50 0 DIAARN O=C(Nc1ccc(NC[C@@H]2CC2(F)F)cc1)N1CCCCCC1 ZINC000585140425 563519130 /nfs/dbraw/zinc/51/91/30/563519130.db2.gz DPBCRWVOXFFKPY-ZDUSSCGKSA-N 0 0 323.387 4.162 50 0 DIAARN COc1ccc(CCNC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000033317198 563519860 /nfs/dbraw/zinc/51/98/60/563519860.db2.gz TWSPVUNWRQKARO-JYRVWZFOSA-N 0 0 323.436 4.191 50 0 DIAARN O=C(/C=C\c1ccco1)NC(c1ccccc1)c1ccccc1 ZINC000033315414 563519914 /nfs/dbraw/zinc/51/99/14/563519914.db2.gz MOJYVDKKUQGBTN-YPKPFQOOSA-N 0 0 303.361 4.199 50 0 DIAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2C)c1 ZINC000085430322 563520296 /nfs/dbraw/zinc/52/02/96/563520296.db2.gz ZWXYPZZKZRLXHA-KRWDZBQOSA-N 0 0 320.392 4.137 50 0 DIAARN Cn1cc([C@H]2CCC(=O)N2Cc2ccccc2)c2ccccc21 ZINC000085430394 563520721 /nfs/dbraw/zinc/52/07/21/563520721.db2.gz FLGXWSNZIPBUQV-LJQANCHMSA-N 0 0 304.393 4.042 50 0 DIAARN CC(C)(C)OC(=O)Nc1ccc(Br)c2ncccc12 ZINC000085477049 563521213 /nfs/dbraw/zinc/52/12/13/563521213.db2.gz BEJYTIZMSSGRBZ-UHFFFAOYSA-N 0 0 323.190 4.344 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Cl)cc1 ZINC000000070763 563521838 /nfs/dbraw/zinc/52/18/38/563521838.db2.gz QSZPGCWECBZWJH-ZROIWOOFSA-N 0 0 318.159 4.338 50 0 DIAARN c1ccc(CNc2nc(N3CCCCC3)nc3ccccc32)cc1 ZINC000000072438 563522809 /nfs/dbraw/zinc/52/28/09/563522809.db2.gz MRHHDHLGNOOZIS-UHFFFAOYSA-N 0 0 318.424 4.232 50 0 DIAARN COc1cccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000000071205 563522869 /nfs/dbraw/zinc/52/28/69/563522869.db2.gz VVULCOZXXYCCBI-UHFFFAOYSA-N 0 0 309.346 4.078 50 0 DIAARN CC(C)(C)c1ccc(OCCNC(=O)/C=C\c2ccccc2)cc1 ZINC000033349537 563524833 /nfs/dbraw/zinc/52/48/33/563524833.db2.gz FJOSJHJDLGGSSS-ZROIWOOFSA-N 0 0 323.436 4.193 50 0 DIAARN Cc1cc2cc(C(=O)N3CCC[C@@H]3c3cccnc3)ccc2o1 ZINC000091270438 563525496 /nfs/dbraw/zinc/52/54/96/563525496.db2.gz QISSDKGMQUWQQT-QGZVFWFLSA-N 0 0 306.365 4.114 50 0 DIAARN CCOc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000009816331 563526992 /nfs/dbraw/zinc/52/69/92/563526992.db2.gz ZWDFKMMKXJGYQC-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN NN=c1nc[nH]c2scc(-c3ccc(-c4ccccc4)cc3)c21 ZINC000000087411 563527110 /nfs/dbraw/zinc/52/71/10/563527110.db2.gz ABSHQGHTMLFQPK-UHFFFAOYSA-N 0 0 318.405 4.311 50 0 DIAARN C[C@@H](CC(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000011506149 563528454 /nfs/dbraw/zinc/52/84/54/563528454.db2.gz MIIQXRBCWIFKGW-ZDUSSCGKSA-N 0 0 319.351 4.098 50 0 DIAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)noc1C(F)(F)F ZINC000095100089 563529073 /nfs/dbraw/zinc/52/90/73/563529073.db2.gz ZJZDIOAYNLCGRK-UHFFFAOYSA-N 0 0 319.666 4.191 50 0 DIAARN Fc1c(Br)cccc1OC(Cl)(Cl)Cl ZINC000095215555 563529145 /nfs/dbraw/zinc/52/91/45/563529145.db2.gz JUCHOPCECFMUSU-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN COc1nc(Cl)cc(C)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000000095133 563531749 /nfs/dbraw/zinc/53/17/49/563531749.db2.gz UNIBMPRDXVQEEP-UHFFFAOYSA-N 0 0 318.804 4.230 50 0 DIAARN CN(C)C(=O)c1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000096150685 563534162 /nfs/dbraw/zinc/53/41/62/563534162.db2.gz QWFVFPMWIZRABP-UHFFFAOYSA-N 0 0 311.278 4.213 50 0 DIAARN CN(C)C(=O)c1ccccc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000096163768 563534626 /nfs/dbraw/zinc/53/46/26/563534626.db2.gz ABBPAXCHTGPQQD-UHFFFAOYSA-N 0 0 311.278 4.213 50 0 DIAARN Cc1scc(-c2nc([C@@H]3CCOC3)no2)c1-c1ccccc1 ZINC000096154001 563534798 /nfs/dbraw/zinc/53/47/98/563534798.db2.gz CFZYDDLTHCGXLX-CYBMUJFWSA-N 0 0 312.394 4.277 50 0 DIAARN CCSc1cccc(-c2cc(C(=O)N3CCCC3)ccn2)c1 ZINC000096165854 563534870 /nfs/dbraw/zinc/53/48/70/563534870.db2.gz CSKWUELHNFDQAM-UHFFFAOYSA-N 0 0 312.438 4.097 50 0 DIAARN Cc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000096170836 563535517 /nfs/dbraw/zinc/53/55/17/563535517.db2.gz CZSMXMGBSCYIEK-UHFFFAOYSA-N 0 0 324.302 4.215 50 0 DIAARN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1C ZINC000011617406 563538009 /nfs/dbraw/zinc/53/80/09/563538009.db2.gz JYYPEJVYUYACEI-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN Cc1cc(-c2cncc(N)c2)c2cc(C(F)(F)F)ccc2n1 ZINC000097394192 563539305 /nfs/dbraw/zinc/53/93/05/563539305.db2.gz RBSXBZQQTCWCMH-UHFFFAOYSA-N 0 0 303.287 4.206 50 0 DIAARN O=C(c1cccnc1-c1cc2ccccc2o1)N1CCCCC1 ZINC000097744897 563541935 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ZINC000014095322 563559336 /nfs/dbraw/zinc/55/93/36/563559336.db2.gz IPYGFSLTNLWAIQ-UHFFFAOYSA-N 0 0 322.339 4.137 50 0 DIAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc[nH]2)ccc1F ZINC000102771839 563560246 /nfs/dbraw/zinc/56/02/46/563560246.db2.gz LOFWGWJVTBSFKO-MUJYYYPQSA-N 0 0 312.388 4.013 50 0 DIAARN O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1F ZINC000014127422 563560342 /nfs/dbraw/zinc/56/03/42/563560342.db2.gz YMFXJCCJTOCITG-UHFFFAOYSA-N 0 0 313.250 4.019 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1Cl ZINC000014190628 563561075 /nfs/dbraw/zinc/56/10/75/563561075.db2.gz LGOLZNRRVOUMDV-CSKARUKUSA-N 0 0 317.772 4.009 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)Nc3nccs3)c(C)n2)cc1 ZINC000257173292 563567797 /nfs/dbraw/zinc/56/77/97/563567797.db2.gz ISOPTNZYBBHRFV-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1ccc(C)cc1 ZINC000000105164 563569668 /nfs/dbraw/zinc/56/96/68/563569668.db2.gz OEZBFILUNCOOSV-UHFFFAOYSA-N 0 0 306.409 4.066 50 0 biogenic,in-vitro DIAARN O=C(Nc1ccc(F)cc1)/C(Br)=C/c1ccccc1 ZINC000000113595 563570290 /nfs/dbraw/zinc/57/02/90/563570290.db2.gz ZXLZBMGXFRVFDE-UVTDQMKNSA-N 0 0 320.161 4.200 50 0 DIAARN Cc1[nH]c2cccc3c2c1CCN1C(=O)OC2(CCCCC2)[C@]31C ZINC000000105566 563570364 /nfs/dbraw/zinc/57/03/64/563570364.db2.gz ISTKNNZQEVPAML-IBGZPJMESA-N 0 0 324.424 4.403 50 0 DIAARN O=C(NC(c1ccccc1)c1ccccc1)c1cccc(F)c1 ZINC000000113538 563570423 /nfs/dbraw/zinc/57/04/23/563570423.db2.gz ZUIGCHCHVICQGI-UHFFFAOYSA-N 0 0 305.352 4.345 50 0 DIAARN O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCCC1 ZINC000000115633 563570950 /nfs/dbraw/zinc/57/09/50/563570950.db2.gz LYQRARXGWKOZCN-UHFFFAOYSA-N 0 0 321.376 4.248 50 0 DIAARN Cc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1 ZINC000000123007 563571375 /nfs/dbraw/zinc/57/13/75/563571375.db2.gz VFSDCNHNLSFZJR-UHFFFAOYSA-N 0 0 304.397 4.449 50 0 DIAARN Cc1cccc2nc(COc3ccc(Cl)c4cccnc34)cn21 ZINC000000125984 563571632 /nfs/dbraw/zinc/57/16/32/563571632.db2.gz FDZFHDXFBLAFRJ-UHFFFAOYSA-N 0 0 323.783 4.423 50 0 DIAARN Cc1cc(C)n(-c2nnc(-c3ccc(C)cc3)c3ccccc32)n1 ZINC000000137327 563572460 /nfs/dbraw/zinc/57/24/60/563572460.db2.gz VCJFLOUIZAJBAA-UHFFFAOYSA-N 0 0 314.392 4.408 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2oc1=O ZINC000000145353 563573223 /nfs/dbraw/zinc/57/32/23/563573223.db2.gz YNBJZAQZOBHUPV-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN O=C(Oc1ccc(F)cc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000000152786 563573855 /nfs/dbraw/zinc/57/38/55/563573855.db2.gz XJMRTPPUKKXOII-UHFFFAOYSA-N 0 0 320.534 4.400 50 0 DIAARN C[C@H]1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 ZINC000000175166 563574586 /nfs/dbraw/zinc/57/45/86/563574586.db2.gz WUJMHXOCNPCCRH-VIFPVBQESA-N 0 0 306.818 4.174 50 0 DIAARN CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000000187417 563575991 /nfs/dbraw/zinc/57/59/91/563575991.db2.gz UPGLWFILHFFSLF-UHFFFAOYSA-N 0 0 324.405 4.461 50 0 DIAARN COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000000190008 563576113 /nfs/dbraw/zinc/57/61/13/563576113.db2.gz KOZOGTICWSMJFV-UHFFFAOYSA-N 0 0 315.419 4.375 50 0 DIAARN O=c1oc2ccccc2cc1-c1nnc(Nc2ccccc2)s1 ZINC000000194724 563576786 /nfs/dbraw/zinc/57/67/86/563576786.db2.gz IHAYMHWGAWTJAC-UHFFFAOYSA-N 0 0 321.361 4.055 50 0 DIAARN O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1 ZINC000000209681 563577941 /nfs/dbraw/zinc/57/79/41/563577941.db2.gz ZALLDRRFUZHREO-UHFFFAOYSA-N 0 0 321.829 4.020 50 0 DIAARN O=C1Nc2ccc(Br)cc2/C1=C/[C@@H]1CC=CCC1 ZINC000000213420 563578463 /nfs/dbraw/zinc/57/84/63/563578463.db2.gz RWRHFNFMKNPHAB-GARZTLJTSA-N 0 0 304.187 4.141 50 0 DIAARN O=C1Nc2ccc(Br)cc2/C1=C/[C@H]1CC=CCC1 ZINC000000213422 563578663 /nfs/dbraw/zinc/57/86/63/563578663.db2.gz RWRHFNFMKNPHAB-AAIQCTMTSA-N 0 0 304.187 4.141 50 0 DIAARN Cn1cc(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000000211880 563578709 /nfs/dbraw/zinc/57/87/09/563578709.db2.gz ONGKTVSURGHJGV-UHFFFAOYSA-N 0 0 316.763 4.152 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)CCCc1cn(C)c2ccccc12 ZINC000000218750 563579297 /nfs/dbraw/zinc/57/92/97/563579297.db2.gz ZEKGWYFRHMIHEC-YJBOKZPZSA-N 0 0 312.457 4.196 50 0 DIAARN Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000000222837 563579373 /nfs/dbraw/zinc/57/93/73/563579373.db2.gz FMLDXYVQALNHEZ-SJORKVTESA-N 0 0 324.815 4.386 50 0 DIAARN CCc1ccc([C@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222895 563579432 /nfs/dbraw/zinc/57/94/32/563579432.db2.gz MJXWIVCOGXBIOV-MOPGFXCFSA-N 0 0 318.424 4.295 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222303 563579448 /nfs/dbraw/zinc/57/94/48/563579448.db2.gz VUGCORCDDCWGHS-DLBZAZTESA-N 0 0 324.815 4.386 50 0 DIAARN Cc1ccc2c(c1)/C(=C/c1ccc(Br)cc1)C(=O)N2 ZINC000000224445 563579990 /nfs/dbraw/zinc/57/99/90/563579990.db2.gz XIZVTPOJOYBLOF-ZROIWOOFSA-N 0 0 314.182 4.250 50 0 DIAARN CC[C@@]1(C)OC(=O)N2CCc3c(C)[nH]c4c3c(ccc4C)[C@@]21C ZINC000000118031 563580371 /nfs/dbraw/zinc/58/03/71/563580371.db2.gz WDGAFIUVLUWDTP-RTBURBONSA-N 0 0 312.413 4.177 50 0 DIAARN Cc1cccc(NC(=S)N2CCCC[C@H]2c2cccnc2)c1 ZINC000000240156 563580670 /nfs/dbraw/zinc/58/06/70/563580670.db2.gz RJULKOAZXBIPRI-KRWDZBQOSA-N 0 0 311.454 4.314 50 0 biogenic DIAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)C1(C)C ZINC000247876416 563581756 /nfs/dbraw/zinc/58/17/56/563581756.db2.gz OVIPLKUVHGORGE-AAVRWANBSA-N 0 0 317.395 4.462 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccccc2)cc1Br ZINC000000258660 563583028 /nfs/dbraw/zinc/58/30/28/563583028.db2.gz WZRWBZRLRXGXTQ-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN COc1c(C(=O)Nc2ccc(Cl)cn2)ccc2ccccc21 ZINC000000262033 563583138 /nfs/dbraw/zinc/58/31/38/563583138.db2.gz MHCXLDUAGUGLKF-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN CC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267993 563584013 /nfs/dbraw/zinc/58/40/13/563584013.db2.gz MADSTIMKHBTMDS-IFXJQAMLSA-N 0 0 323.392 4.038 50 0 DIAARN CC(=O)Nc1cccc(OC(=O)c2cccc(Cl)c2Cl)c1 ZINC000000272978 563584054 /nfs/dbraw/zinc/58/40/54/563584054.db2.gz RQZASMRCPICSFV-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1C ZINC000000293332 563585212 /nfs/dbraw/zinc/58/52/12/563585212.db2.gz OTIJHCRYJCWAPF-UHFFFAOYSA-N 0 0 306.409 4.043 50 0 biogenic DIAARN Cc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 ZINC000000320538 563587930 /nfs/dbraw/zinc/58/79/30/563587930.db2.gz UIKUNAVOJUEFCL-UHFFFAOYSA-N 0 0 306.413 4.449 50 0 DIAARN O=C(c1ccccc1)N1C(=O)c2ccccc2OC12CCCCC2 ZINC000000332732 563589066 /nfs/dbraw/zinc/58/90/66/563589066.db2.gz KIWUEIFIZCPDIR-UHFFFAOYSA-N 0 0 321.376 4.022 50 0 DIAARN O[C@H](c1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000000348164 563589339 /nfs/dbraw/zinc/58/93/39/563589339.db2.gz MHAZCQNKLXWHEG-FQEVSTJZSA-N 0 0 314.388 4.166 50 0 DIAARN CCOc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000000356114 563589993 /nfs/dbraw/zinc/58/99/93/563589993.db2.gz QXOBDQCKYXLLLA-VOMSXAGXSA-N 0 0 307.393 4.076 50 0 DIAARN CC(C)(C)c1csc(NC(=O)COc2ccccc2Cl)n1 ZINC000000355225 563590107 /nfs/dbraw/zinc/59/01/07/563590107.db2.gz UJTMIJRGLQTYKS-UHFFFAOYSA-N 0 0 324.833 4.112 50 0 DIAARN Cc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1C ZINC000000370961 563590835 /nfs/dbraw/zinc/59/08/35/563590835.db2.gz UILYERDGSIJSTI-AWEZNQCLSA-N 0 0 301.817 4.377 50 0 DIAARN COc1ccc2[nH]c(C)c(C(=O)CSc3ccccc3)c2c1 ZINC000000377413 563591258 /nfs/dbraw/zinc/59/12/58/563591258.db2.gz MOTYZHIJJMORRT-UHFFFAOYSA-N 0 0 311.406 4.460 50 0 DIAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000000374556 563591435 /nfs/dbraw/zinc/59/14/35/563591435.db2.gz AWZQXYQFOSWMGP-HZPDHXFCSA-N 0 0 315.800 4.399 50 0 DIAARN O=C(Cc1noc2ccccc12)Nc1ccc(C(F)(F)F)cc1 ZINC000000385434 563591917 /nfs/dbraw/zinc/59/19/17/563591917.db2.gz FWFMCWGEVLALGK-UHFFFAOYSA-N 0 0 320.270 4.028 50 0 DIAARN O=C1Nc2ccc(Cl)cc2SC1=CNc1ccccc1 ZINC000100395131 563592479 /nfs/dbraw/zinc/59/24/79/563592479.db2.gz DDLJQACTJIBTLB-NTEUORMPSA-N 0 0 302.786 4.338 50 0 DIAARN Cc1ccc([S@@](=O)/C(F)=C/COCc2ccccc2)cc1 ZINC000033836095 563597345 /nfs/dbraw/zinc/59/73/45/563597345.db2.gz YFGXJTYNLNXOEZ-RKPWUKJMSA-N 0 0 304.386 4.130 50 0 DIAARN COC(=O)c1cc(Nc2cccc(C)c2)c2cccc(C)c2n1 ZINC000038487124 563598131 /nfs/dbraw/zinc/59/81/31/563598131.db2.gz GAFPPJFPTKOWHB-UHFFFAOYSA-N 0 0 306.365 4.382 50 0 DIAARN COC(=O)c1cc(Nc2ccccc2)c2cc(Cl)ccc2n1 ZINC000038486588 563598658 /nfs/dbraw/zinc/59/86/58/563598658.db2.gz DYAXMGJLPMCZJR-UHFFFAOYSA-N 0 0 312.756 4.418 50 0 DIAARN CC(C)(C)[C@H](Cc1ccccc1)NC(=O)c1ccncc1Cl ZINC000073096300 563598871 /nfs/dbraw/zinc/59/88/71/563598871.db2.gz GKLFTYZNFHOOAR-INIZCTEOSA-N 0 0 316.832 4.122 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000011899221 563601277 /nfs/dbraw/zinc/60/12/77/563601277.db2.gz IUMXCVQKVWBWBS-UHFFFAOYSA-N 0 0 319.326 4.167 50 0 DIAARN Cc1nc2c(c(Nc3ccc(N4CCCCC4)cc3)n1)CCC2 ZINC000011907843 563601324 /nfs/dbraw/zinc/60/13/24/563601324.db2.gz FWYZUONGDYPPGF-UHFFFAOYSA-N 0 0 308.429 4.008 50 0 DIAARN COc1ccc(Nc2cc(-c3ccc(OC)cc3)nc(C)n2)cc1 ZINC000011907655 563601368 /nfs/dbraw/zinc/60/13/68/563601368.db2.gz RHJJMBRFCKWHHC-UHFFFAOYSA-N 0 0 321.380 4.213 50 0 DIAARN O=C(c1cccs1)N(Cc1cccs1)c1ccccn1 ZINC000011916550 563601795 /nfs/dbraw/zinc/60/17/95/563601795.db2.gz PMNPIRGUMPCCTH-UHFFFAOYSA-N 0 0 300.408 4.052 50 0 DIAARN O=C(c1ccc(F)cc1)N(Cc1cccs1)c1ccccn1 ZINC000011915864 563602329 /nfs/dbraw/zinc/60/23/29/563602329.db2.gz DWMUFTDGOMBPJZ-UHFFFAOYSA-N 0 0 312.369 4.129 50 0 DIAARN COC(=O)N(C)c1ccc(NC2CC(c3ccccc3)C2)cc1 ZINC000126355073 563603730 /nfs/dbraw/zinc/60/37/30/563603730.db2.gz OGJKRWWSDARFAO-UHFFFAOYSA-N 0 0 310.397 4.247 50 0 DIAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1 ZINC000000209642 563606850 /nfs/dbraw/zinc/60/68/50/563606850.db2.gz CNZHSDPTVCLPRY-UHFFFAOYSA-N 0 0 319.364 4.064 50 0 DIAARN Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000135028530 563607691 /nfs/dbraw/zinc/60/76/91/563607691.db2.gz GMEWKOLCUYSVQV-ZIAGYGMSSA-N 0 0 316.470 4.058 50 0 DIAARN O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000000127391 563611010 /nfs/dbraw/zinc/61/10/10/563611010.db2.gz RYTJBZYFBRQWDN-UHFFFAOYSA-N 0 0 322.751 4.299 50 0 DIAARN CSc1nc2c3ccccc3sc2c(=O)n1-c1ccccc1 ZINC000000424644 563611969 /nfs/dbraw/zinc/61/19/69/563611969.db2.gz DTIHZPCSERJZSR-UHFFFAOYSA-N 0 0 324.430 4.322 50 0 DIAARN CSc1ccc([C@H]2SCC(=O)N2c2ccccc2F)cc1 ZINC000000424027 563612111 /nfs/dbraw/zinc/61/21/11/563612111.db2.gz VCXKFPKPYITHAH-MRXNPFEDSA-N 0 0 319.426 4.326 50 0 DIAARN CC[C@H](Cc1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000000425026 563612225 /nfs/dbraw/zinc/61/22/25/563612225.db2.gz VWEKHUGVXIUUKR-CQSZACIVSA-N 0 0 310.422 4.253 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCCC2)c(C)c1 ZINC000000425613 563613307 /nfs/dbraw/zinc/61/33/07/563613307.db2.gz UNUGNZHFURLMFM-UHFFFAOYSA-N 0 0 321.428 4.177 50 0 DIAARN CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)C1CCOCC1 ZINC000075610228 563616694 /nfs/dbraw/zinc/61/66/94/563616694.db2.gz UVGREDVCGSMRKW-SFHVURJKSA-N 0 0 303.446 4.049 50 0 DIAARN Cc1cc(C(=O)OCc2ccccc2)ccc1Br ZINC000167021072 563619565 /nfs/dbraw/zinc/61/95/65/563619565.db2.gz SGLOQAVILGCIRP-UHFFFAOYSA-N 0 0 305.171 4.115 50 0 DIAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc3ccccc32)c1 ZINC000002634687 563621357 /nfs/dbraw/zinc/62/13/57/563621357.db2.gz YNZMYHAPGXOSAM-UHFFFAOYSA-N 0 0 318.372 4.496 50 0 DIAARN O=C(Oc1cccc2ccccc21)c1cc2ccccc2oc1=O ZINC000003115683 563622166 /nfs/dbraw/zinc/62/21/66/563622166.db2.gz CQRAUEOGXHJVKH-UHFFFAOYSA-N 0 0 316.312 4.165 50 0 DIAARN Brc1cccc(CSc2nc3cccnc3[nH]2)c1 ZINC000005458421 563622254 /nfs/dbraw/zinc/62/22/54/563622254.db2.gz PRJPSNHKFPDYSU-UHFFFAOYSA-N 0 0 320.215 4.013 50 0 DIAARN CCC(CC)c1cc(C(=O)N2CCC[C@H]2C2CCCC2)on1 ZINC000152025316 563622799 /nfs/dbraw/zinc/62/27/99/563622799.db2.gz CTFQYAPRDJCRFZ-INIZCTEOSA-N 0 0 304.434 4.373 50 0 DIAARN C[C@H](Cc1ccoc1)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000206665066 563624376 /nfs/dbraw/zinc/62/43/76/563624376.db2.gz WDVPMGFJTGJIDG-SNVBAGLBSA-N 0 0 312.291 4.051 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000006899355 563624676 /nfs/dbraw/zinc/62/46/76/563624676.db2.gz VCAAUMLCWKMYET-RWPGPIAYSA-N 0 0 311.347 4.414 50 0 DIAARN CC(=O)CCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000000471317 563624942 /nfs/dbraw/zinc/62/49/42/563624942.db2.gz PCBIYMGDUWWWMH-UHFFFAOYSA-N 0 0 309.287 4.414 50 0 DIAARN O=C(NCc1cccs1)Nc1ccc(Cl)c(Cl)c1 ZINC000003124040 563625013 /nfs/dbraw/zinc/62/50/13/563625013.db2.gz WGHGGEXKZDXNFR-UHFFFAOYSA-N 0 0 301.198 4.377 50 0 DIAARN O=C(OCc1cc(-c2ccccc2)on1)c1cc2ccccc2o1 ZINC000008501312 563625487 /nfs/dbraw/zinc/62/54/87/563625487.db2.gz VFDCRLYMFFEIRB-UHFFFAOYSA-N 0 0 319.316 4.445 50 0 DIAARN CCC(C(=O)Nc1cccc(C)c1)(C(F)(F)F)C(F)(F)F ZINC000003124623 563625543 /nfs/dbraw/zinc/62/55/43/563625543.db2.gz VISNONIYZWGGKM-UHFFFAOYSA-N 0 0 313.241 4.455 50 0 DIAARN O=C(CCC(F)(F)F)Nc1cccc(NC2CCCC2)c1 ZINC000173195870 563626995 /nfs/dbraw/zinc/62/69/95/563626995.db2.gz MFHVWOSWOIVOAB-UHFFFAOYSA-N 0 0 300.324 4.322 50 0 DIAARN Cc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000017446771 563627254 /nfs/dbraw/zinc/62/72/54/563627254.db2.gz IKIQZKUECYFISO-UHFFFAOYSA-N 0 0 302.377 4.233 50 0 DIAARN CCN(Cc1ccccc1)C(=O)c1ccccc1Br ZINC000000211631 563628007 /nfs/dbraw/zinc/62/80/07/563628007.db2.gz MVWVZUCHIJDJTI-UHFFFAOYSA-N 0 0 318.214 4.111 50 0 DIAARN CC1(C)CC(=O)c2ccc(OCc3cccc(F)c3)cc2O1 ZINC000000084876 563628691 /nfs/dbraw/zinc/62/86/91/563628691.db2.gz IORJBHOWDNYUEG-UHFFFAOYSA-N 0 0 300.329 4.149 50 0 DIAARN CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1 ZINC000000084880 563628723 /nfs/dbraw/zinc/62/87/23/563628723.db2.gz SFCWHFUCGPFTBB-UHFFFAOYSA-N 0 0 300.329 4.149 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000000385244 563629870 /nfs/dbraw/zinc/62/98/70/563629870.db2.gz RDYKSXQEOZIUEX-UHFFFAOYSA-N 0 0 307.271 4.160 50 0 DIAARN CC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000000559723 563630893 /nfs/dbraw/zinc/63/08/93/563630893.db2.gz LDMQSZXCWWGEON-UHFFFAOYSA-N 0 0 312.388 4.314 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000001465060 563633926 /nfs/dbraw/zinc/63/39/26/563633926.db2.gz AYJAUZIVIWMUQC-UHFFFAOYSA-N 0 0 319.360 4.269 50 0 DIAARN Cc1cc(O)ccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000176839030 563636092 /nfs/dbraw/zinc/63/60/92/563636092.db2.gz VTZAYCZTRZPXKU-UHFFFAOYSA-N 0 0 313.250 4.111 50 0 DIAARN Cc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000003153850 563639265 /nfs/dbraw/zinc/63/92/65/563639265.db2.gz IAOPAIIARIYMIJ-MRXNPFEDSA-N 0 0 320.219 4.449 50 0 DIAARN Cc1cc(O)ccc1NC(=O)Nc1ccccc1CC(F)(F)F ZINC000190018117 563646074 /nfs/dbraw/zinc/64/60/74/563646074.db2.gz VHODLYZLMQGSMJ-UHFFFAOYSA-N 0 0 324.302 4.449 50 0 DIAARN CCc1cc(=O)oc2cc(C)cc(OCc3ccccc3OC)c12 ZINC000000488636 563649109 /nfs/dbraw/zinc/64/91/09/563649109.db2.gz ZBACGFQSUSCJQH-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN CC(C)CN1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C ZINC000000494991 563650766 /nfs/dbraw/zinc/65/07/66/563650766.db2.gz LGLVOCJARXFZAT-QGZVFWFLSA-N 0 0 324.852 4.115 50 0 DIAARN Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)C(C)C)cc1C ZINC000000497479 563650891 /nfs/dbraw/zinc/65/08/91/563650891.db2.gz DCSGVXLLTHTTJT-ZDUSSCGKSA-N 0 0 305.447 4.037 50 0 DIAARN CCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 ZINC000000498693 563651676 /nfs/dbraw/zinc/65/16/76/563651676.db2.gz IGDDUZVBEMYMGJ-UHFFFAOYSA-N 0 0 315.760 4.023 50 0 DIAARN Cc1cc(C)c(-n2c(C)nc(=O)c(-c3ccccc3)c2C)c(C)c1 ZINC000000499598 563652024 /nfs/dbraw/zinc/65/20/24/563652024.db2.gz RUSYSFLJRNULHU-UHFFFAOYSA-N 0 0 318.420 4.442 50 0 DIAARN Cc1csc2nc(CSc3nc4ccccc4o3)cn12 ZINC000000499490 563652135 /nfs/dbraw/zinc/65/21/35/563652135.db2.gz MRSZZIRSSCEOEX-UHFFFAOYSA-N 0 0 301.396 4.138 50 0 DIAARN CC(C)c1ccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000101973533 563658120 /nfs/dbraw/zinc/65/81/20/563658120.db2.gz QRMKGCFJJXHMKW-INIZCTEOSA-N 0 0 324.384 4.428 50 0 DIAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3C)C2)cc1C ZINC000102047978 563658172 /nfs/dbraw/zinc/65/81/72/563658172.db2.gz SVFDEFFEAWDFON-IBGZPJMESA-N 0 0 316.408 4.259 50 0 DIAARN CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccccn1 ZINC000000520861 563664016 /nfs/dbraw/zinc/66/40/16/563664016.db2.gz PJMVKAMOHBUHOU-HXUWFJFHSA-N 0 0 312.376 4.095 50 0 DIAARN O=C(Nc1cnc(C2CC2)nc1)c1ccc(-c2ccccc2F)o1 ZINC000103019726 563664495 /nfs/dbraw/zinc/66/44/95/563664495.db2.gz PQHURWVFECKPFU-UHFFFAOYSA-N 0 0 323.327 4.005 50 0 DIAARN O=C(Nc1cccc(O)c1)c1c2ccccc2nc2c1CCCC2 ZINC000000522392 563664600 /nfs/dbraw/zinc/66/46/00/563664600.db2.gz OAXLXGHMTIZKGG-UHFFFAOYSA-N 0 0 318.376 4.072 50 0 DIAARN CCCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc21 ZINC000000532322 563665701 /nfs/dbraw/zinc/66/57/01/563665701.db2.gz MFGKIGCOICTGIX-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN C[C@H](NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000014184565 563665810 /nfs/dbraw/zinc/66/58/10/563665810.db2.gz BCWPODDUMQOMTI-JTQLQIEISA-N 0 0 311.278 4.336 50 0 DIAARN CCCC(=O)Nc1nn(CCC)c2nc3ccc(C)cc3cc12 ZINC000000530257 563665867 /nfs/dbraw/zinc/66/58/67/563665867.db2.gz BXMRCTTVMAVRAD-UHFFFAOYSA-N 0 0 310.401 4.042 50 0 DIAARN CC[C@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000000533078 563666672 /nfs/dbraw/zinc/66/66/72/563666672.db2.gz FUJSBTHLHHHCRT-INIZCTEOSA-N 0 0 318.424 4.461 50 0 DIAARN CC(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000545551 563669362 /nfs/dbraw/zinc/66/93/62/563669362.db2.gz UJHDRLNMFZQZRN-UHFFFAOYSA-N 0 0 314.724 4.039 50 0 biogenic DIAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccccc2C)c1 ZINC000000551160 563669932 /nfs/dbraw/zinc/66/99/32/563669932.db2.gz ZZFYZAATFVPJHW-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1 ZINC000000559503 563670477 /nfs/dbraw/zinc/67/04/77/563670477.db2.gz BTKZQEGTHZXVJD-UHFFFAOYSA-N 0 0 316.286 4.381 50 0 DIAARN CSc1ccc([C@H]2NC(=O)N=C3c4ccccc4CCC32)cc1 ZINC000000564131 563670777 /nfs/dbraw/zinc/67/07/77/563670777.db2.gz HBKNOXSPDUSNRM-QGZVFWFLSA-N 0 0 322.433 4.120 50 0 DIAARN Clc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000100834943 563673148 /nfs/dbraw/zinc/67/31/48/563673148.db2.gz NZTGOTNUKXQXND-ZDUSSCGKSA-N 0 0 314.801 4.049 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)CCc2cn(C)c3ccccc23)[C@H]1C ZINC000104795939 563674478 /nfs/dbraw/zinc/67/44/78/563674478.db2.gz JGIBSZCUTFRXIH-RVKKMQEKSA-N 0 0 312.457 4.052 50 0 DIAARN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000578902 563675204 /nfs/dbraw/zinc/67/52/04/563675204.db2.gz MAERZHFGNPLCBU-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(c1cn(CCOc2ccc(F)cc2)c2ccccc12)C1CC1 ZINC000000578885 563675208 /nfs/dbraw/zinc/67/52/08/563675208.db2.gz RRYBVGFGHAQZLG-UHFFFAOYSA-N 0 0 323.367 4.452 50 0 DIAARN COC(=O)c1c(NC2CCCCCC2)onc1-c1ccccc1 ZINC000046914738 563678112 /nfs/dbraw/zinc/67/81/12/563678112.db2.gz LSGMVEHQTLSEEQ-UHFFFAOYSA-N 0 0 314.385 4.263 50 0 DIAARN O=C(NCc1ccc(F)cc1)C1(c2cccs2)CCCC1 ZINC000012157542 563681096 /nfs/dbraw/zinc/68/10/96/563681096.db2.gz CPLLWZMXJCNOCP-UHFFFAOYSA-N 0 0 303.402 4.015 50 0 DIAARN c1ccc(-c2nccc(N3CCS[C@H]4CCCC[C@H]43)n2)cc1 ZINC000107074947 563682884 /nfs/dbraw/zinc/68/28/84/563682884.db2.gz VLDJJEJDQIHDNE-CVEARBPZSA-N 0 0 311.454 4.008 50 0 DIAARN C[C@H]1CCCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)C1 ZINC000044838703 563685117 /nfs/dbraw/zinc/68/51/17/563685117.db2.gz CCWHQMILQIZCTO-AWEZNQCLSA-N 0 0 319.408 4.102 50 0 DIAARN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1nnc(-c2ccccc2)o1 ZINC000044874332 563685168 /nfs/dbraw/zinc/68/51/68/563685168.db2.gz FJYBPSAYQPCJKT-QWHCGFSZSA-N 0 0 311.360 4.288 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1F ZINC000044845254 563685364 /nfs/dbraw/zinc/68/53/64/563685364.db2.gz AUDTWYPAKKLGIW-UHFFFAOYSA-N 0 0 308.740 4.440 50 0 DIAARN COC(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000044845141 563685653 /nfs/dbraw/zinc/68/56/53/563685653.db2.gz HMRQQRSFBVYQIA-UHFFFAOYSA-N 0 0 318.760 4.079 50 0 DIAARN O=C(NC1CCCC1)c1ccc(SCc2cscn2)cc1 ZINC000044896674 563686236 /nfs/dbraw/zinc/68/62/36/563686236.db2.gz NZRSDGRZUOVDMZ-UHFFFAOYSA-N 0 0 318.467 4.108 50 0 DIAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000045261993 563688843 /nfs/dbraw/zinc/68/88/43/563688843.db2.gz XRGCLFDOLKPWSI-VIFPVBQESA-N 0 0 313.184 4.123 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)N(C2CC2)C2CCC(C)CC2)c1C ZINC000045415403 563689089 /nfs/dbraw/zinc/68/90/89/563689089.db2.gz IHJRIRIAOUIZAF-UHFFFAOYSA-N 0 0 316.445 4.017 50 0 DIAARN O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000045370995 563689368 /nfs/dbraw/zinc/68/93/68/563689368.db2.gz VIAIEZSEWXALKN-AWEZNQCLSA-N 0 0 322.191 4.247 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1ccccc1F ZINC000046018035 563691651 /nfs/dbraw/zinc/69/16/51/563691651.db2.gz WPNQDFNEKRWMSG-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000046018399 563691815 /nfs/dbraw/zinc/69/18/15/563691815.db2.gz OTSXCWFRSJUQLB-LJQANCHMSA-N 0 0 308.425 4.350 50 0 DIAARN COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000046031266 563692110 /nfs/dbraw/zinc/69/21/10/563692110.db2.gz DJIFXFMNHPORKF-MRXNPFEDSA-N 0 0 316.426 4.264 50 0 DIAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1-n1cccn1 ZINC000047974278 563692641 /nfs/dbraw/zinc/69/26/41/563692641.db2.gz VUMOGZUEECIMRT-UHFFFAOYSA-N 0 0 317.348 4.179 50 0 DIAARN O=C(Nc1cccc2cccnc21)N1CC[C@H]1c1ccccc1 ZINC000047747653 563692706 /nfs/dbraw/zinc/69/27/06/563692706.db2.gz LYHTYCWDBUHGEP-KRWDZBQOSA-N 0 0 303.365 4.214 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)c1 ZINC000048202550 563693396 /nfs/dbraw/zinc/69/33/96/563693396.db2.gz ABBBGNHETQNCCE-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]21 ZINC000017313085 563693936 /nfs/dbraw/zinc/69/39/36/563693936.db2.gz AZQAIRJYCUWZPD-OUUBHVDSSA-N 0 0 300.442 4.302 50 0 DIAARN Cc1cc(C)nc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000000609894 563693964 /nfs/dbraw/zinc/69/39/64/563693964.db2.gz TUGYNTXYBVQNRI-UHFFFAOYSA-N 0 0 309.291 4.361 50 0 DIAARN Fc1cccc(C=C2CCN(c3ncnc4ccccc43)CC2)c1 ZINC000048313460 563696394 /nfs/dbraw/zinc/69/63/94/563696394.db2.gz WYAYQVCXCOYRRR-UHFFFAOYSA-N 0 0 319.383 4.453 50 0 DIAARN CCCCCC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000048312360 563696470 /nfs/dbraw/zinc/69/64/70/563696470.db2.gz NQQYXRYXKCZDGA-CYBMUJFWSA-N 0 0 305.422 4.125 50 0 DIAARN Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000048388263 563698340 /nfs/dbraw/zinc/69/83/40/563698340.db2.gz MECBNRSASLUZPL-QMMMGPOBSA-N 0 0 314.172 4.173 50 0 DIAARN COc1ccc(Br)cc1NC(=O)c1ccccc1C ZINC000048444615 563698819 /nfs/dbraw/zinc/69/88/19/563698819.db2.gz VZRMRXUJGYYQDD-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CCCCCOc1ccc([C@@H](C)NC(=O)C(C)C)cc1OC ZINC000048518137 563699347 /nfs/dbraw/zinc/69/93/47/563699347.db2.gz QJUIAIGNALHJMT-CQSZACIVSA-N 0 0 307.434 4.097 50 0 DIAARN O=C(c1cc(C2CC2)on1)N1CCCC[C@H]1CCc1ccccc1 ZINC000089879375 563699825 /nfs/dbraw/zinc/69/98/25/563699825.db2.gz XRVXCTKRKWLUCM-KRWDZBQOSA-N 0 0 324.424 4.180 50 0 DIAARN Cc1sc(CNC(=O)C(C)C)nc1-c1ccc(Cl)cc1 ZINC000048926260 563700383 /nfs/dbraw/zinc/70/03/83/563700383.db2.gz CBOAQDNPQWTWTL-UHFFFAOYSA-N 0 0 308.834 4.044 50 0 DIAARN CC(C)(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccsc1 ZINC000049550192 563701569 /nfs/dbraw/zinc/70/15/69/563701569.db2.gz AUOJDROXBOHKKP-GFCCVEGCSA-N 0 0 307.444 4.124 50 0 DIAARN Cc1nn(C)c2c1[C@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000049548088 563701954 /nfs/dbraw/zinc/70/19/54/563701954.db2.gz RGRQRMSWCXZZBE-INIZCTEOSA-N 0 0 315.442 4.276 50 0 DIAARN O=C(/C=C\c1ccccc1)OCc1cc(-c2cccs2)on1 ZINC000012236716 563703236 /nfs/dbraw/zinc/70/32/36/563703236.db2.gz XQHJLTFGJYPGBK-HJWRWDBZSA-N 0 0 311.362 4.160 50 0 DIAARN COCC[C@@H]1CCCCN1Cc1c(F)ccc(Cl)c1F ZINC000216007018 563707672 /nfs/dbraw/zinc/70/76/72/563707672.db2.gz ZMQOAVBOKYRVBW-NSHDSACASA-N 0 0 303.780 4.009 50 0 DIAARN CCCc1[nH+]c2c(c(C)c(C)n2Cc2cccnc2)c(N)c1CC ZINC000012324232 563713019 /nfs/dbraw/zinc/71/30/19/563713019.db2.gz NKZIUDLPWMHTDS-UHFFFAOYSA-N 0 0 322.456 4.194 50 0 DIAARN Fc1ccccc1NC(=S)NCCc1cccc(Cl)c1 ZINC000007390072 563716326 /nfs/dbraw/zinc/71/63/26/563716326.db2.gz VIEDMYRXVPDJGL-UHFFFAOYSA-N 0 0 308.809 4.008 50 0 DIAARN CC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12 ZINC000000807180 563718370 /nfs/dbraw/zinc/71/83/70/563718370.db2.gz AHJRAELVJNWEIP-UHFFFAOYSA-N 0 0 320.392 4.099 50 0 DIAARN Cc1cccc(-c2nnc(COC(=O)c3cccc(C)c3C)o2)c1 ZINC000007952243 563718461 /nfs/dbraw/zinc/71/84/61/563718461.db2.gz MUZVWSPQFKDBBQ-UHFFFAOYSA-N 0 0 322.364 4.019 50 0 DIAARN O=C(NC1CCCCCCC1)c1nc(Cl)ccc1Cl ZINC000008037799 563718551 /nfs/dbraw/zinc/71/85/51/563718551.db2.gz DBDDXPRMHQPFTR-UHFFFAOYSA-N 0 0 301.217 4.231 50 0 DIAARN Clc1ccc(-c2ccnc3nc(C4CCC4)nn32)c(Cl)c1 ZINC000604418766 563719122 /nfs/dbraw/zinc/71/91/22/563719122.db2.gz AGKMHTPNQDSADA-UHFFFAOYSA-N 0 0 319.195 4.366 50 0 DIAARN CCOc1ccccc1CSc1n[nH]c(-c2cccs2)n1 ZINC000008231134 563719874 /nfs/dbraw/zinc/71/98/74/563719874.db2.gz YTRQWYGFDPLHDC-UHFFFAOYSA-N 0 0 317.439 4.224 50 0 DIAARN CC[C@@H](C(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1 ZINC000390829352 563720094 /nfs/dbraw/zinc/72/00/94/563720094.db2.gz DTZQYGDRFSLTOT-GOSISDBHSA-N 0 0 320.392 4.152 50 0 DIAARN Cc1cc2n(n1)[C@H](c1cccc(O)c1)Nc1c(C)cc(C)cc1-2 ZINC000000818070 563720494 /nfs/dbraw/zinc/72/04/94/563720494.db2.gz XCURTSUOOGDXPJ-LJQANCHMSA-N 0 0 305.381 4.153 50 0 DIAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000025248035 563725796 /nfs/dbraw/zinc/72/57/96/563725796.db2.gz UXZAFDOLHQOKQD-GXFFZTMASA-N 0 0 313.228 4.183 50 0 DIAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000025248030 563726068 /nfs/dbraw/zinc/72/60/68/563726068.db2.gz UXZAFDOLHQOKQD-MFKMUULPSA-N 0 0 313.228 4.183 50 0 DIAARN CC(C)c1ccc(C=C2SC(=S)NC2=O)cc1[N+](=O)[O-] ZINC000034138192 563730041 /nfs/dbraw/zinc/73/00/41/563730041.db2.gz DYEABDOWJYMFEK-IZZDOVSWSA-N 0 0 308.384 4.047 50 0 DIAARN Cc1nc(C(C)C)sc1CNC(=O)c1sccc1Cl ZINC000223098511 563731246 /nfs/dbraw/zinc/73/12/46/563731246.db2.gz ORJFVPQQLBVATC-UHFFFAOYSA-N 0 0 314.863 4.220 50 0 DIAARN Cc1nc(CNc2c(C)cc(Br)cc2C)cs1 ZINC000037772409 563736575 /nfs/dbraw/zinc/73/65/75/563736575.db2.gz PAYHBQSSNZFURE-UHFFFAOYSA-N 0 0 311.248 4.443 50 0 DIAARN CN(Cc1ccc2ccccc2c1)C(=O)c1cc(Cl)ccn1 ZINC000027992945 563743725 /nfs/dbraw/zinc/74/37/25/563743725.db2.gz RRBVVEIXIWUJCL-UHFFFAOYSA-N 0 0 310.784 4.160 50 0 DIAARN O=C(NC[C@@H]1CCCC(F)(F)C1)c1csc2c1CCCC2 ZINC000225720487 563761128 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50 0 DIAARN O=[S@](CCc1ccccc1)Cc1c(Cl)cccc1Cl ZINC000075467141 563874059 /nfs/dbraw/zinc/87/40/59/563874059.db2.gz ZAXRTZFRKKMAFE-IBGZPJMESA-N 0 0 313.249 4.485 50 0 DIAARN O=C(Nc1cc(F)cc(F)c1)c1csc(-c2ccsc2)n1 ZINC000012999183 563874559 /nfs/dbraw/zinc/87/45/59/563874559.db2.gz MQZHOYVBDKABQW-UHFFFAOYSA-N 0 0 322.361 4.402 50 0 DIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3O)ccc2c1 ZINC000013002763 563875058 /nfs/dbraw/zinc/87/50/58/563875058.db2.gz SJOBQNRZDDOYCA-CYBMUJFWSA-N 0 0 321.376 4.296 50 0 DIAARN COCCCCC(=O)N(c1ccc(F)cc1Cl)C(C)C ZINC000096410983 563875070 /nfs/dbraw/zinc/87/50/70/563875070.db2.gz HSSMYKMNRRDBLB-UHFFFAOYSA-N 0 0 301.789 4.037 50 0 DIAARN CSc1ccc(CN(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000013004938 563875088 /nfs/dbraw/zinc/87/50/88/563875088.db2.gz NDACFZZWXKUIPS-UHFFFAOYSA-N 0 0 314.454 4.059 50 0 DIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cc2ccccc2[nH]1 ZINC000013001761 563875147 /nfs/dbraw/zinc/87/51/47/563875147.db2.gz QIGJDLQASHNIQQ-UHFFFAOYSA-N 0 0 316.763 4.233 50 0 DIAARN O=C(Nc1ccccc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000013001139 563875180 /nfs/dbraw/zinc/87/51/80/563875180.db2.gz BZSZFYDDOSAVGW-AWEZNQCLSA-N 0 0 302.374 4.184 50 0 DIAARN c1cnn(Cc2ccccc2CNc2nc3ccccc3s2)c1 ZINC000013006451 563875501 /nfs/dbraw/zinc/87/55/01/563875501.db2.gz NDDILCUAGAKDOB-UHFFFAOYSA-N 0 0 320.421 4.153 50 0 DIAARN CCCCNC(=O)c1ccccc1SCc1c(C)noc1C ZINC000013007186 563875728 /nfs/dbraw/zinc/87/57/28/563875728.db2.gz CARLIOUJMDMBFC-UHFFFAOYSA-N 0 0 318.442 4.114 50 0 DIAARN CC[C@H](C)NC(=O)CCc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000075478945 563876204 /nfs/dbraw/zinc/87/62/04/563876204.db2.gz MPFAVFCLOGYRQH-AWEZNQCLSA-N 0 0 321.424 4.077 50 0 DIAARN O=C(Nc1cc(-c2ccsc2)no1)c1cc2ccccc2[nH]1 ZINC000075488149 563877187 /nfs/dbraw/zinc/87/71/87/563877187.db2.gz ODUVIRDWJUIWFO-UHFFFAOYSA-N 0 0 309.350 4.137 50 0 DIAARN CCN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1 ZINC000075502214 563877337 /nfs/dbraw/zinc/87/73/37/563877337.db2.gz NXBYWKNKJLTPHY-UHFFFAOYSA-N 0 0 322.433 4.472 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000013048576 563878069 /nfs/dbraw/zinc/87/80/69/563878069.db2.gz UVOOTHUQMAGKIT-AWEZNQCLSA-N 0 0 302.399 4.126 50 0 DIAARN CCCn1cc(-c2ccncc2)cc1C(=O)NC1CCCCC1 ZINC000075509058 563878392 /nfs/dbraw/zinc/87/83/92/563878392.db2.gz NLLPDYFJPPNBNC-UHFFFAOYSA-N 0 0 311.429 4.023 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000002631411 563878717 /nfs/dbraw/zinc/87/87/17/563878717.db2.gz IISMKYYEHUKJMC-UHFFFAOYSA-N 0 0 321.298 4.326 50 0 DIAARN Cc1cc(C)nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000000388869 563879259 /nfs/dbraw/zinc/87/92/59/563879259.db2.gz ITULGWHUHDIZBY-UHFFFAOYSA-N 0 0 311.172 4.044 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000239672645 563880361 /nfs/dbraw/zinc/88/03/61/563880361.db2.gz BUKISCCFJPQVGX-TYNCELHUSA-N 0 0 313.363 4.189 50 0 DIAARN Cc1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1OCC(F)F ZINC000241470695 563880759 /nfs/dbraw/zinc/88/07/59/563880759.db2.gz NXEABVQFESFVSH-KBRIMQKVSA-N 0 0 323.383 4.008 50 0 DIAARN C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000241316682 563880851 /nfs/dbraw/zinc/88/08/51/563880851.db2.gz LTZMPVNQKXRMSJ-DYEKYZERSA-N 0 0 300.427 4.006 50 0 DIAARN Cc1[nH]nc(NC(=O)Cc2cccc(C)c2)c1-c1ccc(F)cc1 ZINC000075544601 563881282 /nfs/dbraw/zinc/88/12/82/563881282.db2.gz FZAFUXMXHAAKEW-UHFFFAOYSA-N 0 0 323.371 4.014 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Br)[C@H]1C ZINC000245264670 563881635 /nfs/dbraw/zinc/88/16/35/563881635.db2.gz DSLGRQCCJXUQJF-UHIISALHSA-N 0 0 310.235 4.004 50 0 DIAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@]2(C)c1ccccc1 ZINC000001829635 563882023 /nfs/dbraw/zinc/88/20/23/563882023.db2.gz IHEKWKZTUYZTBC-OAQYLSRUSA-N 0 0 319.404 4.013 50 0 biogenic DIAARN CCc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)C(C)C)cc1 ZINC000089284815 563883254 /nfs/dbraw/zinc/88/32/54/563883254.db2.gz MKWQBALJZRHVHS-QGZVFWFLSA-N 0 0 310.397 4.176 50 0 DIAARN FC(F)(F)c1cccc(Oc2ncc(Br)cn2)c1 ZINC000067119737 563883383 /nfs/dbraw/zinc/88/33/83/563883383.db2.gz XXAHBNITIXGYKP-UHFFFAOYSA-N 0 0 319.080 4.050 50 0 DIAARN CSc1ccc(NC(=O)CCc2cccc3[nH]ccc32)cc1 ZINC000075550494 563883507 /nfs/dbraw/zinc/88/35/07/563883507.db2.gz VLDLVIPOIYDJER-UHFFFAOYSA-N 0 0 310.422 4.461 50 0 DIAARN Cc1nc(NC(=O)CCCOc2ccc(C)cc2C)sc1C ZINC000001914060 563885295 /nfs/dbraw/zinc/88/52/95/563885295.db2.gz YKRWMSRLUNUYSL-UHFFFAOYSA-N 0 0 318.442 4.174 50 0 DIAARN COCc1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000001926911 563885949 /nfs/dbraw/zinc/88/59/49/563885949.db2.gz GEOIHUCBHAGRJH-UHFFFAOYSA-N 0 0 324.424 4.350 50 0 DIAARN Cc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1C ZINC000001926892 563886141 /nfs/dbraw/zinc/88/61/41/563886141.db2.gz HBCLCZMAJSZRCK-UHFFFAOYSA-N 0 0 324.424 4.005 50 0 DIAARN COc1ccc(Oc2ccc(NN=C3CCCCC3=O)cc2)cc1 ZINC000252624608 563887838 /nfs/dbraw/zinc/88/78/38/563887838.db2.gz PROOWUPHTGCQRL-UHFFFAOYSA-N 0 0 324.380 4.399 50 0 DIAARN Cc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1 ZINC000007972887 563892345 /nfs/dbraw/zinc/89/23/45/563892345.db2.gz HGPJTZPIAABVOA-UHFFFAOYSA-N 0 0 308.303 4.064 50 0 DIAARN CCN1CCSc2ccc(C(=O)NC3CCCCCC3)cc21 ZINC000006802562 563895051 /nfs/dbraw/zinc/89/50/51/563895051.db2.gz QXOCTDOWGONNAL-UHFFFAOYSA-N 0 0 318.486 4.071 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1cc(Cl)ccc1C)CCO2 ZINC000006842578 563896257 /nfs/dbraw/zinc/89/62/57/563896257.db2.gz JLYMLUJPPYMIBN-UHFFFAOYSA-N 0 0 316.788 4.388 50 0 DIAARN Cc1cccc(NC(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000006842968 563896393 /nfs/dbraw/zinc/89/63/93/563896393.db2.gz LGDYLALGNVUSCQ-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN O=C1C[C@@H](c2ccsc2)c2ncn(-c3ccccc3F)c2N1 ZINC000036358872 563896420 /nfs/dbraw/zinc/89/64/20/563896420.db2.gz CINCLXQUTDYLBE-NSHDSACASA-N 0 0 313.357 4.197 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cc1 ZINC000006842872 563896670 /nfs/dbraw/zinc/89/66/70/563896670.db2.gz DXRUOLIONJTMQU-LBPRGKRZSA-N 0 0 316.788 4.468 50 0 DIAARN CCc1ccc(NC(=O)N2C[C@H](C)Oc3ccc(C)cc32)cc1 ZINC000006842696 563896674 /nfs/dbraw/zinc/89/66/74/563896674.db2.gz NNEPMSDKABRSAK-AWEZNQCLSA-N 0 0 310.397 4.377 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006842645 563896709 /nfs/dbraw/zinc/89/67/09/563896709.db2.gz BQHWLSFUVNJWSK-LBPRGKRZSA-N 0 0 316.788 4.468 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc1 ZINC000006842874 563896729 /nfs/dbraw/zinc/89/67/29/563896729.db2.gz DXRUOLIONJTMQU-GFCCVEGCSA-N 0 0 316.788 4.468 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)C[C@H](C)O2 ZINC000006842700 563896746 /nfs/dbraw/zinc/89/67/46/563896746.db2.gz XYYVFOFLSGNDMY-LBPRGKRZSA-N 0 0 316.788 4.468 50 0 DIAARN CSc1cccc(NC(=O)CCOc2cccc(C)c2)c1 ZINC000006867662 563897505 /nfs/dbraw/zinc/89/75/05/563897505.db2.gz FFQQXKYHQHGIRB-UHFFFAOYSA-N 0 0 301.411 4.125 50 0 DIAARN COc1ccccc1NC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000006876884 563897952 /nfs/dbraw/zinc/89/79/52/563897952.db2.gz VQGZQIHKABTZGQ-LBPRGKRZSA-N 0 0 314.410 4.228 50 0 DIAARN Cc1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000006880712 563898337 /nfs/dbraw/zinc/89/83/37/563898337.db2.gz UUJUJDCXSHLCJS-UHFFFAOYSA-N 0 0 312.756 4.053 50 0 DIAARN COc1ccccc1[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006881673 563898458 /nfs/dbraw/zinc/89/84/58/563898458.db2.gz MGOQPXDGDJNUQM-IVKJLDKCSA-N 0 0 313.441 4.089 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000036397025 563898685 /nfs/dbraw/zinc/89/86/85/563898685.db2.gz JXKJTLPBHKVRTM-QWHCGFSZSA-N 0 0 318.367 4.395 50 0 DIAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCc1cccs1 ZINC000036398427 563898893 /nfs/dbraw/zinc/89/88/93/563898893.db2.gz VYURVYWYQGUPLE-LBPRGKRZSA-N 0 0 307.846 4.082 50 0 DIAARN c1ccc(-c2nc3cc(-c4noc(C5CC5)n4)ccc3o2)cc1 ZINC000065149820 563899587 /nfs/dbraw/zinc/89/95/87/563899587.db2.gz DLLBXWGLQZLWJD-UHFFFAOYSA-N 0 0 303.321 4.422 50 0 DIAARN O=C(CCSc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 ZINC000006933596 563899614 /nfs/dbraw/zinc/89/96/14/563899614.db2.gz JPJRNWYUQHQCHG-UHFFFAOYSA-N 0 0 315.413 4.435 50 0 DIAARN Oc1ccc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000006926600 563899623 /nfs/dbraw/zinc/89/96/23/563899623.db2.gz RXVBVRULQVJOMI-UHFFFAOYSA-N 0 0 310.397 4.201 50 0 DIAARN CCc1nc2cc(-c3noc(-c4ccc(C)s4)n3)ccc2o1 ZINC000065149757 563899752 /nfs/dbraw/zinc/89/97/52/563899752.db2.gz LZQNWEYTSZEPHC-UHFFFAOYSA-N 0 0 311.366 4.477 50 0 DIAARN Cc1nc2cc(-c3noc(COc4cccc(C)c4)n3)ccc2o1 ZINC000065149667 563899790 /nfs/dbraw/zinc/89/97/90/563899790.db2.gz ZNZCFNPRZFJLSE-UHFFFAOYSA-N 0 0 321.336 4.074 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc(Br)c1 ZINC000006942477 563899962 /nfs/dbraw/zinc/89/99/62/563899962.db2.gz FWXCHYYMAWDRCF-UHFFFAOYSA-N 0 0 316.198 4.190 50 0 DIAARN CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)cc1 ZINC000006982098 563900821 /nfs/dbraw/zinc/90/08/21/563900821.db2.gz YJMFNWWMPNXCIT-ACJLOTCBSA-N 0 0 311.381 4.472 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000007007594 563901311 /nfs/dbraw/zinc/90/13/11/563901311.db2.gz NFRTYSLFJVFKKF-LBPRGKRZSA-N 0 0 324.355 4.280 50 0 DIAARN Cc1cc(C)c(NS(=O)(=O)c2cccc(Cl)c2)c(C)c1 ZINC000007053341 563901763 /nfs/dbraw/zinc/90/17/63/563901763.db2.gz IIFQXIIONTZTGA-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN O=S(=O)(/C=C/c1ccccc1)Nc1cccc2ccccc21 ZINC000007053568 563901794 /nfs/dbraw/zinc/90/17/94/563901794.db2.gz BZASMOABSJHJDA-BUHFOSPRSA-N 0 0 309.390 4.252 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000007052653 563901836 /nfs/dbraw/zinc/90/18/36/563901836.db2.gz RQRHSKCYCJVOLE-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN CCOc1ccccc1NC(=O)Nc1cc(C)ccc1OC ZINC000007067131 563902140 /nfs/dbraw/zinc/90/21/40/563902140.db2.gz OBBXHOMWPSVXBU-UHFFFAOYSA-N 0 0 300.358 4.046 50 0 DIAARN O=C(NCc1ccc(F)cc1)c1cc2cn(C3CC3)cc2s1 ZINC000065285592 563902333 /nfs/dbraw/zinc/90/23/33/563902333.db2.gz LSQPWUUJPQFEIU-UHFFFAOYSA-N 0 0 314.385 4.107 50 0 DIAARN Cc1nc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cs1 ZINC000007088074 563902549 /nfs/dbraw/zinc/90/25/49/563902549.db2.gz JQFMTVOPFLUPCY-QGZVFWFLSA-N 0 0 321.405 4.223 50 0 DIAARN Cc1cc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c(C)o1 ZINC000036662589 563902610 /nfs/dbraw/zinc/90/26/10/563902610.db2.gz GSONRFGZVCOSHT-UHFFFAOYSA-N 0 0 315.300 4.048 50 0 DIAARN Cc1cc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c(C)o1 ZINC000036709457 563903224 /nfs/dbraw/zinc/90/32/24/563903224.db2.gz VOUWXFUCBMKOTN-UHFFFAOYSA-N 0 0 310.378 4.176 50 0 DIAARN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000007215065 563904569 /nfs/dbraw/zinc/90/45/69/563904569.db2.gz LMSGMXQVRWMNHG-CYBMUJFWSA-N 0 0 322.191 4.247 50 0 DIAARN Brc1ccc(-c2csc(NC3CC3)n2)s1 ZINC000007274394 563905093 /nfs/dbraw/zinc/90/50/93/563905093.db2.gz KXICQRPRZYDVLI-UHFFFAOYSA-N 0 0 301.234 4.208 50 0 DIAARN CCOc1ccccc1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000007284954 563905170 /nfs/dbraw/zinc/90/51/70/563905170.db2.gz FAWGFHCNCMNIGY-UHFFFAOYSA-N 0 0 309.409 4.145 50 0 DIAARN C[C@H]([NH2+]C1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007381054 563905816 /nfs/dbraw/zinc/90/58/16/563905816.db2.gz OIRVCYZCZNUSMJ-JTQLQIEISA-N 0 0 315.244 4.243 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)c1 ZINC000007402729 563905931 /nfs/dbraw/zinc/90/59/31/563905931.db2.gz CWBDRBAQOYDCHY-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000007402296 563906169 /nfs/dbraw/zinc/90/61/69/563906169.db2.gz FNGPOCXYRUPWEI-GFCCVEGCSA-N 0 0 307.390 4.140 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1cc2ccccc2s1 ZINC000007413078 563906204 /nfs/dbraw/zinc/90/62/04/563906204.db2.gz JGMOTZWOISQSED-UHFFFAOYSA-N 0 0 309.346 4.400 50 0 DIAARN Fc1cccnc1NCc1c(Cl)cccc1OC(F)F ZINC000170600011 563907278 /nfs/dbraw/zinc/90/72/78/563907278.db2.gz NQSWIMMDIRIKEV-UHFFFAOYSA-N 0 0 302.683 4.088 50 0 DIAARN Cc1nc(Cn2cc(-c3ccccc3)c(C(F)(F)F)n2)cs1 ZINC000170613187 563908037 /nfs/dbraw/zinc/90/80/37/563908037.db2.gz BOIVNHXGSUQMLF-UHFFFAOYSA-N 0 0 323.343 4.382 50 0 DIAARN C[C@@H](SC1=N[C@@H](C)CS1)c1noc(-c2ccccc2)n1 ZINC000170615500 563908471 /nfs/dbraw/zinc/90/84/71/563908471.db2.gz PWZSZEQQVAXZIW-VHSXEESVSA-N 0 0 305.428 4.022 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C ZINC000170616311 563908472 /nfs/dbraw/zinc/90/84/72/563908472.db2.gz YQMIBTAFOBTNQP-MFKMUULPSA-N 0 0 312.335 4.277 50 0 DIAARN CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccc(C)cc1 ZINC000007559120 563908574 /nfs/dbraw/zinc/90/85/74/563908574.db2.gz MMINPPKVWWMKLS-KRWDZBQOSA-N 0 0 314.454 4.441 50 0 DIAARN O=C(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1 ZINC000007545034 563908634 /nfs/dbraw/zinc/90/86/34/563908634.db2.gz HYJWVGUWPAVUML-UHFFFAOYSA-N 0 0 312.171 4.105 50 0 DIAARN Clc1cncc2c(Br)ccc(Br)c12 ZINC000170622782 563908853 /nfs/dbraw/zinc/90/88/53/563908853.db2.gz HHFGOLMFDMICGP-UHFFFAOYSA-N 0 0 321.399 4.413 50 0 DIAARN O=C(Nc1ccc2scnc2c1)c1nc2ccccc2s1 ZINC000010217448 563909252 /nfs/dbraw/zinc/90/92/52/563909252.db2.gz YIKZARXKVKHBGV-UHFFFAOYSA-N 0 0 311.391 4.158 50 0 DIAARN Cc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1F ZINC000013320163 563909422 /nfs/dbraw/zinc/90/94/22/563909422.db2.gz XIBJTYWPHAIFDR-UHFFFAOYSA-N 0 0 306.768 4.152 50 0 DIAARN Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1F ZINC000013320154 563909528 /nfs/dbraw/zinc/90/95/28/563909528.db2.gz KRIVTPTUAQGDFP-UHFFFAOYSA-N 0 0 306.768 4.152 50 0 DIAARN CC(C)CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CC1 ZINC000071854439 563909534 /nfs/dbraw/zinc/90/95/34/563909534.db2.gz BGPWLYIDRGDKOM-UHFFFAOYSA-N 0 0 301.361 4.346 50 0 DIAARN CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004532989 563909801 /nfs/dbraw/zinc/90/98/01/563909801.db2.gz YLFRRPUBVUAHSR-ZQEALURDSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN COc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000013744581 563909929 /nfs/dbraw/zinc/90/99/29/563909929.db2.gz ZKVXJOGFGIMNIM-VIFPVBQESA-N 0 0 310.806 4.293 50 0 DIAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1cccnc1 ZINC000013744315 563910048 /nfs/dbraw/zinc/91/00/48/563910048.db2.gz WLRZRILKZISFCX-SECBINFHSA-N 0 0 310.184 4.271 50 0 DIAARN CC1CCC(NC(=O)Nc2ccccc2Br)CC1 ZINC000013745422 563910081 /nfs/dbraw/zinc/91/00/81/563910081.db2.gz LAZAMHGLPFCEOY-UHFFFAOYSA-N 0 0 311.223 4.149 50 0 DIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3C)c12 ZINC000014179807 563910365 /nfs/dbraw/zinc/91/03/65/563910365.db2.gz UJYPMYMOQBQGIU-UHFFFAOYSA-N 0 0 321.380 4.278 50 0 DIAARN O=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ccccc2)n1 ZINC000014373384 563910554 /nfs/dbraw/zinc/91/05/54/563910554.db2.gz ICNMNWYFTVLUNK-MRXNPFEDSA-N 0 0 320.417 4.227 50 0 DIAARN Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014388837 563910624 /nfs/dbraw/zinc/91/06/24/563910624.db2.gz ZCLGINBAROEBFU-CYBMUJFWSA-N 0 0 320.392 4.449 50 0 DIAARN O=C(Nc1cccc2ccccc21)c1cc(=O)c2ccccc2o1 ZINC000014429006 563910628 /nfs/dbraw/zinc/91/06/28/563910628.db2.gz MHVLETDDGLWIJT-UHFFFAOYSA-N 0 0 315.328 4.199 50 0 DIAARN O=C(Cc1ccc(-c2ccccc2)cc1)NOCc1ccccc1 ZINC000014601582 563910766 /nfs/dbraw/zinc/91/07/66/563910766.db2.gz DAAFQDBTWVWWGC-UHFFFAOYSA-N 0 0 317.388 4.144 50 0 DIAARN O=C(CCC1CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000089799984 563911235 /nfs/dbraw/zinc/91/12/35/563911235.db2.gz SYBJPIPILVMGNH-KRWDZBQOSA-N 0 0 317.479 4.474 50 0 DIAARN Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)n1 ZINC000075969985 563911411 /nfs/dbraw/zinc/91/14/11/563911411.db2.gz NGFZVSAFKVUUQM-GHMZBOCLSA-N 0 0 323.487 4.251 50 0 DIAARN Oc1ccc(CN(Cc2ccco2)c2nc3ccccc3o2)cc1 ZINC000089874930 563911888 /nfs/dbraw/zinc/91/18/88/563911888.db2.gz HAMKIDBTVTZHML-UHFFFAOYSA-N 0 0 320.348 4.333 50 0 DIAARN O=C(CCc1cscn1)N1CCCC2(C1)CCCCCC2 ZINC000076067175 563912124 /nfs/dbraw/zinc/91/21/24/563912124.db2.gz UOPSQIKNUNFYRJ-UHFFFAOYSA-N 0 0 306.475 4.039 50 0 DIAARN Cc1ccc2[nH]c(=S)n(-c3ccccc3C(C)C)c(=O)c2c1 ZINC000000098749 563912689 /nfs/dbraw/zinc/91/26/89/563912689.db2.gz YYENCKONFYEPJN-UHFFFAOYSA-N 0 0 310.422 4.480 50 0 DIAARN Cc1ccc(OCCOc2cccc(C(F)(F)F)c2)c(C=O)c1 ZINC000002876950 563913041 /nfs/dbraw/zinc/91/30/41/563913041.db2.gz DHHIQBYFRBTUPV-UHFFFAOYSA-N 0 0 324.298 4.284 50 0 DIAARN Cc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1C ZINC000002116935 563914644 /nfs/dbraw/zinc/91/46/44/563914644.db2.gz RGDZHCYVWIXNHE-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN Cc1nc2cc(NC(=O)C3CCC3)ccc2n1-c1ccccc1 ZINC000007594925 563915464 /nfs/dbraw/zinc/91/54/64/563915464.db2.gz YLUNMZVHSHSWOU-UHFFFAOYSA-N 0 0 305.381 4.073 50 0 DIAARN CN(Cc1ccsc1)C(=O)Nc1ccc(C2CC2)c(F)c1 ZINC000252482738 563915898 /nfs/dbraw/zinc/91/58/98/563915898.db2.gz DMRHVEIWENVLRZ-UHFFFAOYSA-N 0 0 304.390 4.429 50 0 DIAARN COc1ccc(C(=O)Nc2cc(F)ccc2C)c(OC(C)C)c1 ZINC000252479127 563915748 /nfs/dbraw/zinc/91/57/48/563915748.db2.gz AZQRPURTWCBLLN-UHFFFAOYSA-N 0 0 317.360 4.182 50 0 DIAARN CCN(C(=O)c1ccnc(OC2CCCC2)c1)c1ccccc1C ZINC000252478169 563915765 /nfs/dbraw/zinc/91/57/65/563915765.db2.gz AFCFHFBFRPWHAU-UHFFFAOYSA-N 0 0 324.424 4.378 50 0 DIAARN Fc1ccc(OC(F)F)cc1-c1noc(-c2ccsc2)n1 ZINC000252482303 563915858 /nfs/dbraw/zinc/91/58/58/563915858.db2.gz DCQDGPCGXQDKQG-UHFFFAOYSA-N 0 0 312.272 4.206 50 0 DIAARN CSc1ccc(CNc2cccc(-c3cc[nH]n3)c2)s1 ZINC000252496543 563916206 /nfs/dbraw/zinc/91/62/06/563916206.db2.gz PKWLSERAMBQLJY-UHFFFAOYSA-N 0 0 301.440 4.472 50 0 DIAARN Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CCCc2sccc21 ZINC000252495702 563916251 /nfs/dbraw/zinc/91/62/51/563916251.db2.gz OWWGBHYGMIXENR-ZDUSSCGKSA-N 0 0 318.442 4.050 50 0 DIAARN Clc1ccsc1CNc1ccc(Cn2ccnc2)cc1 ZINC000252500430 563916342 /nfs/dbraw/zinc/91/63/42/563916342.db2.gz SVOWGRPARNGSSD-UHFFFAOYSA-N 0 0 303.818 4.258 50 0 DIAARN CC[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1Br ZINC000252512027 563916466 /nfs/dbraw/zinc/91/64/66/563916466.db2.gz LOYGNZRXGUBQLO-BVIHXZOGSA-N 0 0 322.246 4.063 50 0 DIAARN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000252516514 563916668 /nfs/dbraw/zinc/91/66/68/563916668.db2.gz SZISVOIEURWTSH-LMSBXDPUSA-N 0 0 307.478 4.151 50 0 DIAARN O=C(NCc1nc(C2CCCCC2)cs1)c1ccc(F)cc1 ZINC000390831537 563916681 /nfs/dbraw/zinc/91/66/81/563916681.db2.gz SKKJUUCZXILBGU-UHFFFAOYSA-N 0 0 318.417 4.260 50 0 DIAARN Cc1nc(C2CC2)oc1C(=O)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000252527822 563916837 /nfs/dbraw/zinc/91/68/37/563916837.db2.gz DLICUDJEIGAGDD-HIFRSBDPSA-N 0 0 302.418 4.045 50 0 DIAARN Cc1cc(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)nn1C(C)(C)C ZINC000252527832 563916850 /nfs/dbraw/zinc/91/68/50/563916850.db2.gz DLQXCLMNAXKFAH-WBVHZDCISA-N 0 0 317.477 4.131 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc2[nH]c(C)cc2c1 ZINC000170650937 563916911 /nfs/dbraw/zinc/91/69/11/563916911.db2.gz DGNLMKKVTUNUOH-RHSMWYFYSA-N 0 0 313.445 4.068 50 0 DIAARN CC[C@@H](NC(=O)c1ccccc1F)c1ccccc1OC(F)F ZINC000027358963 563917379 /nfs/dbraw/zinc/91/73/79/563917379.db2.gz STMGLWKKQNNKPU-CQSZACIVSA-N 0 0 323.314 4.308 50 0 DIAARN CC(=O)c1ccc(OC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000007656361 563917723 /nfs/dbraw/zinc/91/77/23/563917723.db2.gz CSDLXPKRKUJDBL-UHFFFAOYSA-N 0 0 321.376 4.299 50 0 DIAARN CCCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000007641360 563917756 /nfs/dbraw/zinc/91/77/56/563917756.db2.gz BKHKYCNWPPSZHA-UHFFFAOYSA-N 0 0 304.415 4.338 50 0 DIAARN Cc1cccc(NC(=O)CN2CC=C(c3ccccc3)CC2)c1C ZINC000007651109 563917761 /nfs/dbraw/zinc/91/77/61/563917761.db2.gz ISDVOUDVMJYWHU-UHFFFAOYSA-N 0 0 320.436 4.031 50 0 DIAARN C/C=C/Cn1c(C(=O)NCc2ccccc2)cc2sccc21 ZINC000037526059 563918192 /nfs/dbraw/zinc/91/81/92/563918192.db2.gz OHVUFPBATYPTDS-NSCUHMNNSA-N 0 0 310.422 4.209 50 0 DIAARN CCCNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 ZINC000037526388 563918280 /nfs/dbraw/zinc/91/82/80/563918280.db2.gz INVGBSCDMAQAFQ-UHFFFAOYSA-N 0 0 316.401 4.030 50 0 DIAARN COc1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)c(F)c1 ZINC000007736018 563918615 /nfs/dbraw/zinc/91/86/15/563918615.db2.gz IDACMGJOCKUEBE-UHFFFAOYSA-N 0 0 311.312 4.087 50 0 DIAARN Cc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000007756870 563918863 /nfs/dbraw/zinc/91/88/63/563918863.db2.gz TWKGGZSEIVNOSA-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000007765953 563918888 /nfs/dbraw/zinc/91/88/88/563918888.db2.gz GMRGZXZOZROLNI-UHFFFAOYSA-N 0 0 317.344 4.335 50 0 DIAARN CC1(C)Cc2cccc(OCc3nnc(-c4ccccc4)o3)c2O1 ZINC000007777420 563919078 /nfs/dbraw/zinc/91/90/78/563919078.db2.gz AKXAEAHYQAOWHO-UHFFFAOYSA-N 0 0 322.364 4.029 50 0 DIAARN Cc1cc2nc(NCCC3=CCCCC3)c3ccccc3n2n1 ZINC000007777099 563919092 /nfs/dbraw/zinc/91/90/92/563919092.db2.gz ZHZFNIRSPOGPNB-UHFFFAOYSA-N 0 0 306.413 4.493 50 0 DIAARN COC[C@H](C)Nc1cc(-c2ccccc2)c2ccc(OC)cc2n1 ZINC000007777694 563919115 /nfs/dbraw/zinc/91/91/15/563919115.db2.gz GBJVCTMLHITZEM-AWEZNQCLSA-N 0 0 322.408 4.357 50 0 DIAARN Cc1cc2nc(N[C@@H](C)c3ccccc3)c3ccccc3n2n1 ZINC000007778724 563919171 /nfs/dbraw/zinc/91/91/71/563919171.db2.gz CDTRCQAWDLDIBE-AWEZNQCLSA-N 0 0 302.381 4.364 50 0 DIAARN CCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000007804822 563919657 /nfs/dbraw/zinc/91/96/57/563919657.db2.gz KHQUXPBNTPQARK-UHFFFAOYSA-N 0 0 309.394 4.020 50 0 DIAARN C[S@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000195553935 563919835 /nfs/dbraw/zinc/91/98/35/563919835.db2.gz DEOISGKJOUQSBW-CVDCTZTESA-N 0 0 322.433 4.021 50 0 DIAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000007814044 563919958 /nfs/dbraw/zinc/91/99/58/563919958.db2.gz WEFPQYHOSMIODH-UHFFFAOYSA-N 0 0 309.409 4.200 50 0 DIAARN Cc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)nc2ccccc12 ZINC000195624010 563919999 /nfs/dbraw/zinc/91/99/99/563919999.db2.gz HJIQUJGNFPCGPU-SFHVURJKSA-N 0 0 320.367 4.100 50 0 DIAARN COc1ccc(C)cc1CSc1ccc(NC(C)=O)cc1 ZINC000007835078 563920063 /nfs/dbraw/zinc/92/00/63/563920063.db2.gz WTAIIHYZWWKUKI-UHFFFAOYSA-N 0 0 301.411 4.254 50 0 DIAARN O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1 ZINC000001402063 563920481 /nfs/dbraw/zinc/92/04/81/563920481.db2.gz UJYNFZPEJRFFRJ-UHFFFAOYSA-N 0 0 309.843 4.150 50 0 DIAARN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000001718237 563920762 /nfs/dbraw/zinc/92/07/62/563920762.db2.gz NWEVQURHUSROFY-UHFFFAOYSA-N 0 0 323.417 4.082 50 0 DIAARN CN(C)C(=O)[C@H](Sc1ccc2ccccc2n1)c1ccccc1 ZINC000007920774 563920996 /nfs/dbraw/zinc/92/09/96/563920996.db2.gz HRZKMIYMNXMETC-GOSISDBHSA-N 0 0 322.433 4.156 50 0 DIAARN CCCSc1nc2sc3c(c2c(N)n1)C[C@@](C)(CC)OC3 ZINC000002274602 563921123 /nfs/dbraw/zinc/92/11/23/563921123.db2.gz QFHMOKRHYMSNOR-OAHLLOKOSA-N 0 0 323.487 4.017 50 0 DIAARN CCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@](C)(O)CC1(C)C ZINC000002274468 563921130 /nfs/dbraw/zinc/92/11/30/563921130.db2.gz BHAOHUCBBLUQGU-KRWDZBQOSA-N 0 0 324.852 4.259 50 0 DIAARN Cc1ccccc1C1=N/C(=C\C(Cl)=C\c2ccccc2)C(=O)O1 ZINC000027519678 563921152 /nfs/dbraw/zinc/92/11/52/563921152.db2.gz JMBIDXFFMFQMQU-OZFCMSLCSA-N 0 0 323.779 4.462 50 0 DIAARN CCCCN1C(=O)N(c2ccccc2Cl)[C@](C)(O)CC1(C)C ZINC000002272311 563921208 /nfs/dbraw/zinc/92/12/08/563921208.db2.gz MFMFJCMBQSSMDO-QGZVFWFLSA-N 0 0 324.852 4.259 50 0 DIAARN C[C@H]1C[C@]2(C)C(=O)CC[C@@H]2[C@H]2CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]21 ZINC000043759685 563923916 /nfs/dbraw/zinc/92/39/16/563923916.db2.gz FHSSMFXPNPSOIA-DTJDKSQRSA-N 0 0 304.474 4.205 50 0 DIAARN Cc1nnc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)s1 ZINC000253418516 563925184 /nfs/dbraw/zinc/92/51/84/563925184.db2.gz UZEHDDLEGXFCJB-MRXNPFEDSA-N 0 0 312.442 4.055 50 0 DIAARN CN(C)c1ccccc1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000253426959 563925405 /nfs/dbraw/zinc/92/54/05/563925405.db2.gz SZLJNRVJAQAFFA-UHFFFAOYSA-N 0 0 322.452 4.292 50 0 DIAARN CC[C@H](NC(=O)N(C)Cc1ccoc1)c1ccc(C)c(C)c1 ZINC000584892138 563925484 /nfs/dbraw/zinc/92/54/84/563925484.db2.gz DUTUHEPSNASXFY-KRWDZBQOSA-N 0 0 300.402 4.189 50 0 DIAARN CCCCOc1cc2oc(=O)c3c(c2cc1CCC)CCC3 ZINC000002299224 563925532 /nfs/dbraw/zinc/92/55/32/563925532.db2.gz MSEVCUZMOJJGBJ-UHFFFAOYSA-N 0 0 300.398 4.413 50 0 DIAARN COP(=O)(OC)[C@@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000002293791 563925582 /nfs/dbraw/zinc/92/55/82/563925582.db2.gz MDHMBVKTCAMPST-OAHLLOKOSA-N 0 0 309.277 4.422 50 0 DIAARN Fc1cc([C@@H]2NCc3ccccc3-n3cccc32)cc(F)c1F ZINC000055028110 563926155 /nfs/dbraw/zinc/92/61/55/563926155.db2.gz PMVNWEJJUFQYPO-SFHVURJKSA-N 0 0 314.310 4.087 50 0 DIAARN CC[C@@H]1CCc2sc(C(=O)Nc3cccc(C)n3)cc2C1 ZINC000027655577 563927309 /nfs/dbraw/zinc/92/73/09/563927309.db2.gz BHWPAZPAMOGTCP-GFCCVEGCSA-N 0 0 300.427 4.219 50 0 DIAARN CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccccn1 ZINC000037858792 563927388 /nfs/dbraw/zinc/92/73/88/563927388.db2.gz PJMVKAMOHBUHOU-FQEVSTJZSA-N 0 0 312.376 4.095 50 0 DIAARN O=C(c1cc2ccccc2o1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055124049 563927562 /nfs/dbraw/zinc/92/75/62/563927562.db2.gz LAFCFJZACDKLLX-UHFFFAOYSA-N 0 0 321.376 4.158 50 0 DIAARN Fc1ccc2[nH]c3c(ncnc3NCCCc3ccccc3)c2c1 ZINC000002401527 563927862 /nfs/dbraw/zinc/92/78/62/563927862.db2.gz VQMRFTCMCPSABT-UHFFFAOYSA-N 0 0 320.371 4.295 50 0 DIAARN Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CC[C@@H](C)C3 ZINC000002437548 563928567 /nfs/dbraw/zinc/92/85/67/563928567.db2.gz XAIIGIMHPADREU-SECBINFHSA-N 0 0 324.409 4.032 50 0 DIAARN O=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ccccc1 ZINC000007944759 563928807 /nfs/dbraw/zinc/92/88/07/563928807.db2.gz VBDTYPRSJSNDQG-UHFFFAOYSA-N 0 0 319.335 4.309 50 0 DIAARN O=C(N[C@H]1CCSc2ccccc21)c1ccccc1Cl ZINC000012815352 563928897 /nfs/dbraw/zinc/92/88/97/563928897.db2.gz UDBCRVGFTYBTQA-AWEZNQCLSA-N 0 0 303.814 4.307 50 0 DIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1CCCCC1 ZINC000007950757 563928994 /nfs/dbraw/zinc/92/89/94/563928994.db2.gz UQXQQYCBBXOUNA-UHFFFAOYSA-N 0 0 311.429 4.282 50 0 DIAARN CC(C)(C)c1ccccc1NC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000123344311 563929048 /nfs/dbraw/zinc/92/90/48/563929048.db2.gz ROVSSKVPPFMJJB-CQSZACIVSA-N 0 0 316.445 4.017 50 0 DIAARN CCOc1ccc(NC(=O)CNc2cccc3ccccc32)cc1 ZINC000007955352 563929499 /nfs/dbraw/zinc/92/94/99/563929499.db2.gz WOETUWPWZVSBLG-UHFFFAOYSA-N 0 0 320.392 4.289 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000007957226 563929625 /nfs/dbraw/zinc/92/96/25/563929625.db2.gz KYBOSKQJQLPZRO-SWLSCSKDSA-N 0 0 301.361 4.394 50 0 DIAARN CCC[C@@H](NC(=O)c1csc(C)n1)c1ccc(F)cc1F ZINC000079102258 563930299 /nfs/dbraw/zinc/93/02/99/563930299.db2.gz BCRNAOBWSVCERD-CYBMUJFWSA-N 0 0 310.369 4.001 50 0 DIAARN O=C1CS[C@@H](c2cccs2)c2cnn(C3CCCC3)c2N1 ZINC000079487493 563930426 /nfs/dbraw/zinc/93/04/26/563930426.db2.gz BQYUHDAMYNOLHG-CQSZACIVSA-N 0 0 319.455 4.484 50 0 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COc1ccc(CCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000002763613 563940693 /nfs/dbraw/zinc/94/06/93/563940693.db2.gz FHQSGAOWSRGQMF-MRXNPFEDSA-N 0 0 311.425 4.122 50 0 DIAARN Cc1cc(C)cc(NC(=O)CCCc2nc3ccccc3[nH]2)c1 ZINC000029053522 563941025 /nfs/dbraw/zinc/94/10/25/563941025.db2.gz JQABVBICUUAOQE-UHFFFAOYSA-N 0 0 307.397 4.141 50 0 DIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000002908278 563941028 /nfs/dbraw/zinc/94/10/28/563941028.db2.gz IAOHDJHOQUBGAD-KRWDZBQOSA-N 0 0 311.429 4.412 50 0 DIAARN Cc1cc(C)cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC000002928354 563941081 /nfs/dbraw/zinc/94/10/81/563941081.db2.gz YVMALNOEEGPGDM-UHFFFAOYSA-N 0 0 304.393 4.275 50 0 aggregator DIAARN O=C(Cn1c2ccccc2c2c1CCCC2)Nc1ccc(F)cc1 ZINC000002887314 563941105 /nfs/dbraw/zinc/94/11/05/563941105.db2.gz FVKUAXJARHMCPY-UHFFFAOYSA-N 0 0 322.383 4.298 50 0 DIAARN O=C(CCSCc1ccc(Cl)cc1)NC1CCCCC1 ZINC000002944132 563941210 /nfs/dbraw/zinc/94/12/10/563941210.db2.gz ADPVKAPDULUNSU-UHFFFAOYSA-N 0 0 311.878 4.412 50 0 DIAARN Cc1ccc(CNC(=O)CCSCc2ccccc2C)cc1 ZINC000003031986 563941562 /nfs/dbraw/zinc/94/15/62/563941562.db2.gz LCNVVJSLWCDNPP-UHFFFAOYSA-N 0 0 313.466 4.243 50 0 DIAARN CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000030013360 563942029 /nfs/dbraw/zinc/94/20/29/563942029.db2.gz WKKZJLIYMDIYEY-UHFFFAOYSA-N 0 0 311.429 4.210 50 0 DIAARN O=C(Nc1nc(=S)ss1)c1cccc(C(F)(F)F)c1 ZINC000003104316 563942146 /nfs/dbraw/zinc/94/21/46/563942146.db2.gz ILFKGYUDERNVQE-UHFFFAOYSA-N 0 0 322.358 4.205 50 0 DIAARN COc1ccc(COC(=O)N/C=C/c2ccccc2Cl)cc1 ZINC000003105682 563942178 /nfs/dbraw/zinc/94/21/78/563942178.db2.gz WEINSARAUXIUFW-ZHACJKMWSA-N 0 0 317.772 4.246 50 0 DIAARN CN(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000030117440 563942313 /nfs/dbraw/zinc/94/23/13/563942313.db2.gz PGMLHSXUOGHKID-UHFFFAOYSA-N 0 0 317.392 4.067 50 0 DIAARN CCC(C)(C)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000057728297 563942410 /nfs/dbraw/zinc/94/24/10/563942410.db2.gz ULRIBFYLPBTZPQ-UHFFFAOYSA-N 0 0 309.500 4.474 50 0 DIAARN CCCCCO[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl ZINC000003176748 563942629 /nfs/dbraw/zinc/94/26/29/563942629.db2.gz XWBDRWCBBDORGD-NSHDSACASA-N 0 0 318.672 4.052 50 0 DIAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000030266915 563942641 /nfs/dbraw/zinc/94/26/41/563942641.db2.gz IYYAWMNHHVXMSB-MRXNPFEDSA-N 0 0 316.404 4.372 50 0 DIAARN Cc1cc2sc(NC(=O)C(Cl)(Cl)Cl)nc2c(C)c1 ZINC000003182863 563942652 /nfs/dbraw/zinc/94/26/52/563942652.db2.gz HAYFEVZNGJTXOQ-UHFFFAOYSA-N 0 0 323.632 4.222 50 0 DIAARN Cc1cc2ccccn2c1C(=O)c1ccccc1Br ZINC000003193698 563942804 /nfs/dbraw/zinc/94/28/04/563942804.db2.gz CUIQPZBUNITRTP-UHFFFAOYSA-N 0 0 314.182 4.241 50 0 DIAARN CN(C)[P@@](=O)(Nc1ccccc1)C(Cl)(Cl)Cl ZINC000003202961 563942820 /nfs/dbraw/zinc/94/28/20/563942820.db2.gz UJRQBMJWENMAGW-INIZCTEOSA-N 0 0 301.541 4.181 50 0 DIAARN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000030367530 563942842 /nfs/dbraw/zinc/94/28/42/563942842.db2.gz LGCLEMYMIDEDFD-MRXNPFEDSA-N 0 0 303.764 4.456 50 0 DIAARN O=C(CSc1ncnc2ccccc21)c1cc2ccccc2o1 ZINC000003220998 563943022 /nfs/dbraw/zinc/94/30/22/563943022.db2.gz PNTRSODSBVLMLT-UHFFFAOYSA-N 0 0 320.373 4.351 50 0 DIAARN C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C1 ZINC000003217229 563943052 /nfs/dbraw/zinc/94/30/52/563943052.db2.gz UTZSZMDQQUJVML-CQSZACIVSA-N 0 0 320.392 4.367 50 0 DIAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1 ZINC000003239444 563943106 /nfs/dbraw/zinc/94/31/06/563943106.db2.gz BUKJHYXPCRWFHT-GOSISDBHSA-N 0 0 306.317 4.061 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)n1 ZINC000003236125 563943187 /nfs/dbraw/zinc/94/31/87/563943187.db2.gz IMXNJYBNXXXNFC-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2s1 ZINC000003252744 563943342 /nfs/dbraw/zinc/94/33/42/563943342.db2.gz QMECJZKVVMMGPL-GFCCVEGCSA-N 0 0 320.483 4.180 50 0 DIAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1F ZINC000003321900 563943426 /nfs/dbraw/zinc/94/34/26/563943426.db2.gz BUOCKHREBITGQM-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN CC(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000030554134 563943582 /nfs/dbraw/zinc/94/35/82/563943582.db2.gz KLPMJXFPCFKKGZ-UHFFFAOYSA-N 0 0 319.836 4.035 50 0 DIAARN COc1ccc2c(c1)o/c(=N/Nc1ccccc1)c1c2CCCC1 ZINC000030814411 563943679 /nfs/dbraw/zinc/94/36/79/563943679.db2.gz XGILXFXILVVXGP-LSDHQDQOSA-N 0 0 320.392 4.248 50 0 DIAARN CC(C)NC(=O)c1ccc(N2CCSc3ccccc32)s1 ZINC000015733601 563943733 /nfs/dbraw/zinc/94/37/33/563943733.db2.gz STQHHCHWLIOYMZ-UHFFFAOYSA-N 0 0 318.467 4.130 50 0 DIAARN COc1ccccc1[C@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000003363187 563943749 /nfs/dbraw/zinc/94/37/49/563943749.db2.gz BGWDCOZIBRUXOE-NSHDSACASA-N 0 0 313.426 4.490 50 0 DIAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000003353811 563943779 /nfs/dbraw/zinc/94/37/79/563943779.db2.gz IFSLGZNWNGFQLX-MRXNPFEDSA-N 0 0 317.335 4.095 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000217590740 563943956 /nfs/dbraw/zinc/94/39/56/563943956.db2.gz QRWVXFMPSLPFDR-UHFFFAOYSA-N 0 0 311.391 4.158 50 0 DIAARN COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccccc1 ZINC000030987351 563944100 /nfs/dbraw/zinc/94/41/00/563944100.db2.gz FWZMGQCNRFYKDI-UHFFFAOYSA-N 0 0 318.804 4.021 50 0 DIAARN C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003515043 563944134 /nfs/dbraw/zinc/94/41/34/563944134.db2.gz SXXZHVMXYGAXAF-LLVKDONJSA-N 0 0 323.820 4.449 50 0 DIAARN O=C(COc1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12 ZINC000003524790 563944137 /nfs/dbraw/zinc/94/41/37/563944137.db2.gz IRPRSTFBEPEWQO-UHFFFAOYSA-N 0 0 303.720 4.222 50 0 DIAARN O=C(c1ccc(Cl)s1)N1CC=C(c2ccccc2)CC1 ZINC000030995806 563944147 /nfs/dbraw/zinc/94/41/47/563944147.db2.gz OJHVQKYSAYMDOA-UHFFFAOYSA-N 0 0 303.814 4.331 50 0 DIAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCO2 ZINC000031343570 563944412 /nfs/dbraw/zinc/94/44/12/563944412.db2.gz YCGLEPVPHKEJBI-UHFFFAOYSA-N 0 0 322.191 4.110 50 0 DIAARN O=C(Nc1ccn2nccc2c1)Nc1ccc(Cl)c(Cl)c1 ZINC000217958564 563944451 /nfs/dbraw/zinc/94/44/51/563944451.db2.gz GGNQGLZDPCGEON-UHFFFAOYSA-N 0 0 321.167 4.285 50 0 DIAARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc3ncccc32)c1C ZINC000031689247 563944626 /nfs/dbraw/zinc/94/46/26/563944626.db2.gz DJNSYJCDUAOMOM-OAHLLOKOSA-N 0 0 320.392 4.258 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2c(C)noc2C(C)C)cc1 ZINC000031914694 563944893 /nfs/dbraw/zinc/94/48/93/563944893.db2.gz KPRKZGROJKMQJQ-UHFFFAOYSA-N 0 0 315.417 4.205 50 0 DIAARN CCC(=O)N(Cc1ccco1)[C@H](c1ccc(OC)cc1)C(C)C ZINC000032074071 563945165 /nfs/dbraw/zinc/94/51/65/563945165.db2.gz ZFLFBABYFGVVPQ-IBGZPJMESA-N 0 0 315.413 4.424 50 0 DIAARN CC(C)=C[C@H]1[C@H](C(=O)NCCc2cccc3cccnc32)C1(C)C ZINC000032076166 563945389 /nfs/dbraw/zinc/94/53/89/563945389.db2.gz WGKRKUILWWALSA-ZWKOTPCHSA-N 0 0 322.452 4.132 50 0 DIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)c[nH]1 ZINC000032341961 563945603 /nfs/dbraw/zinc/94/56/03/563945603.db2.gz CLAHWVHGCMTUJN-SECBINFHSA-N 0 0 319.817 4.111 50 0 DIAARN O=C(c1cccs1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219100417 563945757 /nfs/dbraw/zinc/94/57/57/563945757.db2.gz FOHMZKNNZOSRPV-AWEZNQCLSA-N 0 0 321.442 4.208 50 0 DIAARN CCc1ccc([C@@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263385463 563945807 /nfs/dbraw/zinc/94/58/07/563945807.db2.gz CSDBHOPPDIKCMS-HXUWFJFHSA-N 0 0 323.436 4.327 50 0 DIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000263433231 563945951 /nfs/dbraw/zinc/94/59/51/563945951.db2.gz SWQZOINEPAMWLN-RBUKOAKNSA-N 0 0 309.409 4.153 50 0 DIAARN O=C(N[C@@H]1CCSc2ccccc21)c1cccc2cccnc21 ZINC000007988842 563945985 /nfs/dbraw/zinc/94/59/85/563945985.db2.gz DDDQWKPUEOTVIK-MRXNPFEDSA-N 0 0 320.417 4.202 50 0 DIAARN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000263457160 563946133 /nfs/dbraw/zinc/94/61/33/563946133.db2.gz BADSTPLBNYRNMS-IRWJRLHMSA-N 0 0 321.848 4.161 50 0 DIAARN CSc1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000008023511 563946312 /nfs/dbraw/zinc/94/63/12/563946312.db2.gz GUYKPGAZGDOUGH-UHFFFAOYSA-N 0 0 305.424 4.072 50 0 DIAARN CSc1cccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)c1 ZINC000008024558 563946333 /nfs/dbraw/zinc/94/63/33/563946333.db2.gz DEBUHFLWVOBJQE-CYBMUJFWSA-N 0 0 300.427 4.156 50 0 DIAARN O=C(NOCc1ccccc1)c1cccc(Oc2ccccc2)c1 ZINC000008096660 563946571 /nfs/dbraw/zinc/94/65/71/563946571.db2.gz KUHQDWZXIFTBAV-UHFFFAOYSA-N 0 0 319.360 4.341 50 0 DIAARN COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cn1 ZINC000008077922 563946671 /nfs/dbraw/zinc/94/66/71/563946671.db2.gz IAZSPPBSYQNXPM-MRXNPFEDSA-N 0 0 318.804 4.122 50 0 DIAARN Clc1ccc(-c2cc3ncnc(-n4ccnc4)c3s2)cc1 ZINC000008135365 563946792 /nfs/dbraw/zinc/94/67/92/563946792.db2.gz KASPUWAOCALQOD-UHFFFAOYSA-N 0 0 312.785 4.197 50 0 DIAARN O=NC=C1C=CN(CCCCCN2C=CC(=CN=O)C=C2)C=C1 ZINC000038174590 563946901 /nfs/dbraw/zinc/94/69/01/563946901.db2.gz RKIJZSCUKNSLSU-UHFFFAOYSA-N 0 0 312.373 4.143 50 0 DIAARN O=C(COc1ccc2ccccc2c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008162014 563946969 /nfs/dbraw/zinc/94/69/69/563946969.db2.gz SVBVXWSXHIQBCG-MJGOQNOKSA-N 0 0 323.436 4.257 50 0 DIAARN CC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)cc1 ZINC000008209659 563947162 /nfs/dbraw/zinc/94/71/62/563947162.db2.gz MDODCRMGLKISJY-UHFFFAOYSA-N 0 0 314.435 4.175 50 0 DIAARN O=C(CCc1nc2ccccc2s1)Nc1ccc(F)cc1 ZINC000008291909 563947560 /nfs/dbraw/zinc/94/75/60/563947560.db2.gz IEYFHPLVEWJORX-UHFFFAOYSA-N 0 0 300.358 4.007 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000008304395 563947653 /nfs/dbraw/zinc/94/76/53/563947653.db2.gz NPOPVVCXPGWDCR-SWLSCSKDSA-N 0 0 301.361 4.394 50 0 DIAARN Cc1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1 ZINC000008316298 563947767 /nfs/dbraw/zinc/94/77/67/563947767.db2.gz SDVQNHZHLSIZFE-UHFFFAOYSA-N 0 0 321.785 4.099 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)cc1C ZINC000008324537 563947858 /nfs/dbraw/zinc/94/78/58/563947858.db2.gz KZTYPOCLHSVLOS-AWEZNQCLSA-N 0 0 315.438 4.205 50 0 DIAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000008324464 563947893 /nfs/dbraw/zinc/94/78/93/563947893.db2.gz HRPJFAXVXLKEGQ-UHFFFAOYSA-N 0 0 323.801 4.219 50 0 DIAARN COC(=O)c1cc(Nc2cccc(C)c2)c2cccc(F)c2n1 ZINC000038486813 563948202 /nfs/dbraw/zinc/94/82/02/563948202.db2.gz HMSKNAQPKOEFPI-UHFFFAOYSA-N 0 0 310.328 4.213 50 0 DIAARN CC(C)c1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O ZINC000008394140 563948378 /nfs/dbraw/zinc/94/83/78/563948378.db2.gz MMMIJGKZYXXNTB-UHFFFAOYSA-N 0 0 312.800 4.222 50 0 DIAARN CC(C)c1cc(=O)c2c(C3CCCC3)nn(-c3ccccc3)c2[nH]1 ZINC000008391755 563948379 /nfs/dbraw/zinc/94/83/79/563948379.db2.gz BQGAGALJDULFDK-UHFFFAOYSA-N 0 0 321.424 4.495 50 0 DIAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCCC1 ZINC000008401560 563948436 /nfs/dbraw/zinc/94/84/36/563948436.db2.gz UIEGHFSONHZORK-MRXNPFEDSA-N 0 0 303.402 4.283 50 0 DIAARN COc1cccc(O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000008429133 563948552 /nfs/dbraw/zinc/94/85/52/563948552.db2.gz TVKHLYKYFQWEAF-CQSZACIVSA-N 0 0 321.376 4.254 50 0 DIAARN O=C(CN(c1ccccc1)C1=NCCCCC1)c1cccs1 ZINC000008436131 563948688 /nfs/dbraw/zinc/94/86/88/563948688.db2.gz QVOCFTOHXDLTAO-UHFFFAOYSA-N 0 0 312.438 4.410 50 0 DIAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C13CC4CC(CC(C4)C1)C3)N2 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O=C(/C=C/c1ccsc1)NCCCc1cc2ccccc2o1 ZINC000618255832 1049127100 /nfs/dbraw/zinc/12/71/00/1049127100.db2.gz JPXDUPHFCYIXQE-BQYQJAHWSA-N 0 0 311.406 4.257 50 0 DIAARN CC(=NNc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1O ZINC000254311020 1049610728 /nfs/dbraw/zinc/61/07/28/1049610728.db2.gz OABOLCMXAAYFJG-UHFFFAOYSA-N 0 0 311.168 4.241 50 0 DIAARN Clc1ccc(CN=Nc2nncc3ccccc32)cc1Cl ZINC000254343321 1049646441 /nfs/dbraw/zinc/64/64/41/1049646441.db2.gz NNYINZSHSAMYSB-UHFFFAOYSA-N 0 0 317.179 4.383 50 0 DIAARN CCc1noc(C)c1C(=O)Nc1ccc2c(cc(C)n2CC)c1 ZINC000823565583 1050150608 /nfs/dbraw/zinc/15/06/08/1050150608.db2.gz ONUUVABIRXLTJP-UHFFFAOYSA-N 0 0 311.385 4.081 50 0 DIAARN COc1ccc(C(=O)c2c3ccccc3ccc2N(C)C)cc1 ZINC000824651819 1050240588 /nfs/dbraw/zinc/24/05/88/1050240588.db2.gz UPUGVCZAVWMBCJ-UHFFFAOYSA-N 0 0 305.377 4.145 50 0 DIAARN Cc1cc2cc(NC(=O)CCc3scnc3C)ccc2o1 ZINC000828061982 1050468047 /nfs/dbraw/zinc/46/80/47/1050468047.db2.gz MQAUHNUYQCDAJR-UHFFFAOYSA-N 0 0 300.383 4.077 50 0 DIAARN CC[C@@H](C(=O)NCC(c1ccco1)c1ccco1)c1ccccc1 ZINC000669520503 1050482313 /nfs/dbraw/zinc/48/23/13/1050482313.db2.gz VLNTVFKYDLSJML-MRXNPFEDSA-N 0 0 323.392 4.315 50 0 DIAARN FC(F)c1coc(-c2ccc(OC[C@H]3CCCCO3)cc2)n1 ZINC000952881696 1051122217 /nfs/dbraw/zinc/12/22/17/1051122217.db2.gz CLTNPCFNTHSKAI-CYBMUJFWSA-N 0 0 309.312 4.227 50 0 DIAARN FC(F)(F)[C@@H]1CCN(c2ncnc3ccccc32)CC12CCC2 ZINC000952962988 1051123266 /nfs/dbraw/zinc/12/32/66/1051123266.db2.gz MOMZIDFWYYPTTC-CQSZACIVSA-N 0 0 321.346 4.189 50 0 DIAARN Cc1nc([C@H](C)N(C)Cc2ccc3ccn(C)c3c2)c(C)s1 ZINC000952976206 1051123557 /nfs/dbraw/zinc/12/35/57/1051123557.db2.gz DZVLGAUEPNGCSA-LBPRGKRZSA-N 0 0 313.470 4.445 50 0 DIAARN Cc1ccsc1CN(C)C(=O)c1ccc2sc(C)nc2c1 ZINC000952978375 1051123887 /nfs/dbraw/zinc/12/38/87/1051123887.db2.gz BTTHQMSGHAJDRG-UHFFFAOYSA-N 0 0 316.451 4.247 50 0 DIAARN Cc1cccc(CN[C@H](c2cccnc2)c2ccc(C)c(C)c2)n1 ZINC000952983046 1051125392 /nfs/dbraw/zinc/12/53/92/1051125392.db2.gz ZNHPRUIDKLTLTQ-NRFANRHFSA-N 0 0 317.436 4.281 50 0 DIAARN CC(C)C[C@@H](NCc1cccc(O)c1Cl)c1cccnc1 ZINC000952984101 1051125491 /nfs/dbraw/zinc/12/54/91/1051125491.db2.gz HWIKESGCVJOQAT-OAHLLOKOSA-N 0 0 304.821 4.318 50 0 DIAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CC=CC2)cc1Cl ZINC000952983797 1051125706 /nfs/dbraw/zinc/12/57/06/1051125706.db2.gz WFHPWHCLYMNXLV-UHFFFAOYSA-N 0 0 320.820 4.229 50 0 DIAARN Cc1ccc(OCC[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000581788416 1051312980 /nfs/dbraw/zinc/31/29/80/1051312980.db2.gz JMRYDEMUHWXLDK-QGZVFWFLSA-N 0 0 324.424 4.318 50 0 DIAARN Cc1cnc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)n1C(C)C ZINC000581815754 1051321236 /nfs/dbraw/zinc/32/12/36/1051321236.db2.gz IEYPLEUTFIGTOO-QGZVFWFLSA-N 0 0 317.477 4.059 50 0 DIAARN c1sc([C@@H]2CCCO2)nc1COc1cccc2cccnc21 ZINC000152655444 1051637410 /nfs/dbraw/zinc/63/74/10/1051637410.db2.gz PDSIOMHQTYQQDS-HNNXBMFYSA-N 0 0 312.394 4.122 50 0 DIAARN CCOCCCNC(=O)/C=C/c1sc2ccccc2c1Cl ZINC000032747805 1052592760 /nfs/dbraw/zinc/59/27/60/1052592760.db2.gz 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/nfs/dbraw/zinc/34/57/74/1053345774.db2.gz QPULRUGCRBDQFK-OAHLLOKOSA-N 0 0 322.412 4.229 50 0 DIAARN Clc1cccc2c1OCCC[C@H]2Nc1cnn(CC2CC2)c1 ZINC000183422679 1053654245 /nfs/dbraw/zinc/65/42/45/1053654245.db2.gz UXROFUUYKCYZDR-MRXNPFEDSA-N 0 0 317.820 4.272 50 0 DIAARN CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccccc1 ZINC000252672353 1054129320 /nfs/dbraw/zinc/12/93/20/1054129320.db2.gz PYRNXSINFORHRE-UHFFFAOYSA-N 0 0 310.422 4.478 50 0 DIAARN CC(C)n1ccc(NC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000516703384 1054755574 /nfs/dbraw/zinc/75/55/74/1054755574.db2.gz ZQMLOYXLTYSZLH-UHFFFAOYSA-N 0 0 313.188 4.415 50 0 DIAARN C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]12C ZINC000003881976 1056010658 /nfs/dbraw/zinc/01/06/58/1056010658.db2.gz UXYRZJKIQKRJCF-OBPRGFKZSA-N 0 0 304.474 4.205 50 0 biogenic DIAARN Cc1ccc(-c2csc(NC(=O)/C=C\c3ccco3)n2)cc1 ZINC000033855527 1056086082 /nfs/dbraw/zinc/08/60/82/1056086082.db2.gz QOPXGALTSNZQLN-HJWRWDBZSA-N 0 0 310.378 4.363 50 0 DIAARN C[C@@H](Cc1ccco1)NC(=O)CCCC[C@H]1CCSS1 ZINC000073563085 1056125552 /nfs/dbraw/zinc/12/55/52/1056125552.db2.gz AUEOXUGMCOYCSC-JSGCOSHPSA-N 0 0 313.488 4.041 50 0 DIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc2ccccc2[nH]1 ZINC000253471675 1056277167 /nfs/dbraw/zinc/27/71/67/1056277167.db2.gz DXYYMYKGQKGTMU-ZDUSSCGKSA-N 0 0 318.376 4.275 50 0 DIAARN O=c1[nH]c([C@@H](F)c2ccc(Cl)cc2)nc2cc(F)ccc12 ZINC000253535196 1056328126 /nfs/dbraw/zinc/32/81/26/1056328126.db2.gz XUENEPHQCHDMKM-ZDUSSCGKSA-N 0 0 306.699 4.187 50 0 DIAARN Cc1c(C)n2c3c1ccc(NC(=O)c1ccccc1)c3CCC2 ZINC000012296207 1056396066 /nfs/dbraw/zinc/39/60/66/1056396066.db2.gz NHNBIWCIUPMGJV-UHFFFAOYSA-N 0 0 304.393 4.457 50 0 biogenic DIAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)[C@@H](C)c1ccon1 ZINC000012208513 1056991855 /nfs/dbraw/zinc/99/18/55/1056991855.db2.gz VCEBMVZKQCZQGT-ZDUSSCGKSA-N 0 0 312.369 4.179 50 0 DIAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1ccsc1 ZINC000390826332 1057049936 /nfs/dbraw/zinc/04/99/36/1057049936.db2.gz 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/nfs/dbraw/zinc/72/42/45/180724245.db2.gz ZOSKHAQYLPBPOV-UHFFFAOYSA-N 0 0 317.392 4.089 50 0 DIAARN Brc1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1 ZINC000000264261 180741663 /nfs/dbraw/zinc/74/16/63/180741663.db2.gz XSFCIAGEGUAZCW-UHFFFAOYSA-N 0 0 313.198 4.400 50 0 DIAARN O=C(Nc1cccc2ccccc21)c1ccc(Br)o1 ZINC000000290614 180749357 /nfs/dbraw/zinc/74/93/57/180749357.db2.gz VGONJXTWHVKZHB-UHFFFAOYSA-N 0 0 316.154 4.448 50 0 DIAARN COc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000000291808 180749500 /nfs/dbraw/zinc/74/95/00/180749500.db2.gz YTQBFODUZOCMER-UHFFFAOYSA-N 0 0 302.182 4.316 50 0 DIAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC000000272053 180744548 /nfs/dbraw/zinc/74/45/48/180744548.db2.gz MAYCWLALLXXWPZ-UHFFFAOYSA-N 0 0 312.369 4.125 50 0 DIAARN COc1cccc(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000000284714 180747307 /nfs/dbraw/zinc/74/73/07/180747307.db2.gz WXHLHCTUZRRKCS-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000000312131 180756012 /nfs/dbraw/zinc/75/60/12/180756012.db2.gz BYMGKXKTAXRJGU-UHFFFAOYSA-N 0 0 303.402 4.162 50 0 DIAARN Fc1ccc(CNC(=S)Nc2cccc3ccccc32)cc1 ZINC000000314871 180756830 /nfs/dbraw/zinc/75/68/30/180756830.db2.gz PVKSHQPXURSKSM-UHFFFAOYSA-N 0 0 310.397 4.466 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2ccccc2Br)c1 ZINC000000300730 180752426 /nfs/dbraw/zinc/75/24/26/180752426.db2.gz XDZQUNOISPOARS-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(C)(C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C(C)(C)C)CC3 ZINC000000304441 180753519 /nfs/dbraw/zinc/75/35/19/180753519.db2.gz AHRBRPDOZTVILY-SNVBAGLBSA-N 0 0 318.486 4.433 50 0 DIAARN O=C(c1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000000304712 180753590 /nfs/dbraw/zinc/75/35/90/180753590.db2.gz QJVPISJEJCZFEW-UHFFFAOYSA-N 0 0 306.192 4.192 50 0 DIAARN CC(C)(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000000340244 180761767 /nfs/dbraw/zinc/76/17/67/180761767.db2.gz VDTQGSOCVMSPAJ-LGMDPLHJSA-N 0 0 305.377 4.329 50 0 DIAARN CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000000370686 180769539 /nfs/dbraw/zinc/76/95/39/180769539.db2.gz CSIOVDKAIROVLG-QGZVFWFLSA-N 0 0 301.817 4.458 50 0 DIAARN CCOc1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000000383552 180772888 /nfs/dbraw/zinc/77/28/88/180772888.db2.gz NKQPFEBAJGBYMK-UHFFFAOYSA-N 0 0 321.376 4.256 50 0 DIAARN O=C(Nc1ccc(Br)cc1F)C1CCCCC1 ZINC000000383561 180773090 /nfs/dbraw/zinc/77/30/90/180773090.db2.gz JZRQNVRVEIQRPU-UHFFFAOYSA-N 0 0 300.171 4.107 50 0 DIAARN Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2)cc(C)c1Cl ZINC000000352040 180763935 /nfs/dbraw/zinc/76/39/35/180763935.db2.gz DVSLGWIGMUAXIA-AWEZNQCLSA-N 0 0 317.816 4.041 50 0 DIAARN Cc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 ZINC000000361204 180766497 /nfs/dbraw/zinc/76/64/97/180766497.db2.gz BJDAQLQUKDJIGB-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN CCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000363583 180766962 /nfs/dbraw/zinc/76/69/62/180766962.db2.gz BBNXOCYPRYPTPZ-UHFFFAOYSA-N 0 0 301.773 4.310 50 0 DIAARN Cc1cccc2sc(NC(=O)[C@@H](C)Oc3ccccc3)nc21 ZINC000000364294 180767704 /nfs/dbraw/zinc/76/77/04/180767704.db2.gz RBCNOBMGQHPNHZ-GFCCVEGCSA-N 0 0 312.394 4.011 50 0 DIAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1 ZINC000000397863 180776974 /nfs/dbraw/zinc/77/69/74/180776974.db2.gz XVYIXCKJQVPYKR-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1ccc(-c2nc3ncccn3c2Nc2ccc(F)cc2)o1 ZINC000000428780 180787656 /nfs/dbraw/zinc/78/76/56/180787656.db2.gz GJEXMTFVGQNVQM-UHFFFAOYSA-N 0 0 308.316 4.180 50 0 DIAARN Cc1sc(NC(=O)COc2ccccc2)nc1-c1ccccc1 ZINC000000433182 180790115 /nfs/dbraw/zinc/79/01/15/180790115.db2.gz IEAUSICKVBSWQY-UHFFFAOYSA-N 0 0 324.405 4.136 50 0 DIAARN COc1cccc(CNc2ccc(Br)cc2C)c1 ZINC000000436936 180790725 /nfs/dbraw/zinc/79/07/25/180790725.db2.gz YLMLTZDEHHIEMZ-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000000439432 180791270 /nfs/dbraw/zinc/79/12/70/180791270.db2.gz RURYZRXZCBELDH-UHFFFAOYSA-N 0 0 300.358 4.126 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1F ZINC000000423782 180785162 /nfs/dbraw/zinc/78/51/62/180785162.db2.gz QTJCMCPZSXFZRI-MRXNPFEDSA-N 0 0 305.349 4.052 50 0 DIAARN CCOc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000000455266 180796661 /nfs/dbraw/zinc/79/66/61/180796661.db2.gz IYQNEYRZCPCKPS-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN Fc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000460967 180797997 /nfs/dbraw/zinc/79/79/97/180797997.db2.gz FOIRBPRSTFCJHD-UHFFFAOYSA-N 0 0 319.133 4.305 50 0 DIAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000469459 180800585 /nfs/dbraw/zinc/80/05/85/180800585.db2.gz PDGDUXBGBVSPHZ-UHFFFAOYSA-N 0 0 317.344 4.335 50 0 DIAARN COc1ccccc1NC(=O)CCSc1ccc(C)cc1 ZINC000000469786 180800600 /nfs/dbraw/zinc/80/06/00/180800600.db2.gz LNPLXFLXNPGYHJ-UHFFFAOYSA-N 0 0 301.411 4.125 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1ccc(Br)o1 ZINC000000449761 180794890 /nfs/dbraw/zinc/79/48/90/180794890.db2.gz STXUJXXWNMYSLO-UHFFFAOYSA-N 0 0 308.175 4.165 50 0 DIAARN O=C(NCCc1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000000476577 180803033 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180828329 /nfs/dbraw/zinc/82/83/29/180828329.db2.gz FBIBAOUFPCXCLX-UHFFFAOYSA-N 0 0 308.740 4.440 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)Nc1cc(C)cc(C)n1 ZINC000000611776 180828559 /nfs/dbraw/zinc/82/85/59/180828559.db2.gz SPAFTBJMHGDMHV-UHFFFAOYSA-N 0 0 305.765 4.004 50 0 DIAARN Cc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1 ZINC000000819494 180835069 /nfs/dbraw/zinc/83/50/69/180835069.db2.gz WORQHMTVOPUIRG-UHFFFAOYSA-N 0 0 315.442 4.067 50 0 DIAARN Cc1ccc(C(=O)COc2ccc(Br)cc2)cc1C ZINC000000859222 180835715 /nfs/dbraw/zinc/83/57/15/180835715.db2.gz NPYOATFRNWYFMZ-UHFFFAOYSA-N 0 0 319.198 4.328 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000000858632 180835878 /nfs/dbraw/zinc/83/58/78/180835878.db2.gz CWESRWFGXLLFQI-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN Cc1cc2nc(SCC(=O)c3ccc(F)cc3)[nH]c2cc1C ZINC000000614124 180829744 /nfs/dbraw/zinc/82/97/44/180829744.db2.gz BXPHCTSTCMBCEW-UHFFFAOYSA-N 0 0 314.385 4.294 50 0 DIAARN COc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000000615442 180830383 /nfs/dbraw/zinc/83/03/83/180830383.db2.gz MVKYOLZBOLVKTI-NRFANRHFSA-N 0 0 323.436 4.285 50 0 DIAARN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000000620746 180831501 /nfs/dbraw/zinc/83/15/01/180831501.db2.gz LDZYOFBCCSLLOK-SECBINFHSA-N 0 0 304.217 4.066 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000985356 180839300 /nfs/dbraw/zinc/83/93/00/180839300.db2.gz AIKVJNMXSHIMGF-UHFFFAOYSA-N 0 0 302.805 4.439 50 0 DIAARN CC[C@H]1CCCCN1[C@@H]1N=CNc2sc3c(c21)CCCC3 ZINC000001025951 180842159 /nfs/dbraw/zinc/84/21/59/180842159.db2.gz LFIIOFGRYMHEMQ-LRDDRELGSA-N 0 0 303.475 4.153 50 0 DIAARN Cc1cccc2sc(NC(=O)Cc3ccc(Cl)cc3)nc21 ZINC000001049219 180842881 /nfs/dbraw/zinc/84/28/81/180842881.db2.gz VXQUCNXGKDDNGJ-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 DIAARN CC(C)Oc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000001284914 180853123 /nfs/dbraw/zinc/85/31/23/180853123.db2.gz BIOOZKCJLUDZRE-UHFFFAOYSA-N 0 0 324.174 4.082 50 0 DIAARN COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O ZINC000001070213 180845197 /nfs/dbraw/zinc/84/51/97/180845197.db2.gz SQVFNNNOBSYIMJ-SFTDATJTSA-N 0 0 324.420 4.457 50 0 DIAARN COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CC[C@H]2OC(C)=O ZINC000001070215 180845364 /nfs/dbraw/zinc/84/53/64/180845364.db2.gz SQVFNNNOBSYIMJ-RTWAWAEBSA-N 0 0 324.420 4.457 50 0 DIAARN CC(C)C(=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000001227735 180850152 /nfs/dbraw/zinc/85/01/52/180850152.db2.gz ZPTIVGBWVHWTDX-JAGHRAMZSA-N 0 0 306.405 4.483 50 0 DIAARN CCC(CC)C(=O)c1c[nH]c(C(=O)NC2CCCCCC2)c1 ZINC000001396095 180860775 /nfs/dbraw/zinc/86/07/75/180860775.db2.gz PZSCBBMHDMBPNZ-UHFFFAOYSA-N 0 0 304.434 4.086 50 0 DIAARN Cc1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1 ZINC000001401010 180861952 /nfs/dbraw/zinc/86/19/52/180861952.db2.gz KTEOADIHRLJFPR-UHFFFAOYSA-N 0 0 312.800 4.289 50 0 DIAARN Cc1noc(NC(=O)c2ccc(Cl)c(Cl)c2)c1Cl ZINC000001403435 180862598 /nfs/dbraw/zinc/86/25/98/180862598.db2.gz MWELORGSKQVOFZ-UHFFFAOYSA-N 0 0 305.548 4.196 50 0 DIAARN COc1ccc(NC(=S)Nc2cc(C)ccc2C)c(OC)c1 ZINC000001410839 180863438 /nfs/dbraw/zinc/86/34/38/180863438.db2.gz QZXOEWRJKOWKJZ-UHFFFAOYSA-N 0 0 316.426 4.130 50 0 DIAARN O=C1CSC(Cc2nc(-c3ccc(Cl)cc3)cs2)=N1 ZINC000001395292 180860440 /nfs/dbraw/zinc/86/04/40/180860440.db2.gz OUJBAESIZBFXKH-UHFFFAOYSA-N 0 0 308.815 4.216 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001456752 180867985 /nfs/dbraw/zinc/86/79/85/180867985.db2.gz VOYJZLPXBVTSMF-UZLBHIALSA-N 0 0 323.436 4.427 50 0 DIAARN O=c1nc(-c2ccccc2)c2cc(SC(F)(F)F)ccc2[nH]1 ZINC000001470800 180869257 /nfs/dbraw/zinc/86/92/57/180869257.db2.gz SDLFKESGCLKCET-UHFFFAOYSA-N 0 0 322.311 4.202 50 0 DIAARN CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(=O)oc3ccccc3c2O1 ZINC000001481765 180869500 /nfs/dbraw/zinc/86/95/00/180869500.db2.gz ZGFASEKBKWVCGP-MGPUTAFESA-N 0 0 322.360 4.070 50 0 in-man DIAARN Cc1ccc(C)c(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000001805426 180897281 /nfs/dbraw/zinc/89/72/81/180897281.db2.gz XKRZXSSXVYNRRL-UHFFFAOYSA-N 0 0 316.225 4.218 50 0 DIAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000001930583 180902744 /nfs/dbraw/zinc/90/27/44/180902744.db2.gz RCNRWLDOKVJVBJ-JXMROGBWSA-N 0 0 309.262 4.496 50 0 DIAARN CCCCCCc1ccc(C(=O)Nc2nnc(CC)s2)cc1 ZINC000002027752 180906672 /nfs/dbraw/zinc/90/66/72/180906672.db2.gz MTALNODDUJYCLI-UHFFFAOYSA-N 0 0 317.458 4.476 50 0 DIAARN CCCCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000002315468 180919344 /nfs/dbraw/zinc/91/93/44/180919344.db2.gz KEPYNCQXVGUKQF-UHFFFAOYSA-N 0 0 322.408 4.127 50 0 DIAARN Cc1coc2c1c1c(c3oc(=O)c4c(c23)CCC4)CCC(C)(C)O1 ZINC000002123282 180910816 /nfs/dbraw/zinc/91/08/16/180910816.db2.gz ISUDVZFEGRJOOT-UHFFFAOYSA-N 0 0 324.376 4.440 50 0 biogenic DIAARN Clc1ccc(CSc2ncn(-c3ccccc3)n2)cc1 ZINC000002124121 180910901 /nfs/dbraw/zinc/91/09/01/180910901.db2.gz OILZYNLAPXZVGP-UHFFFAOYSA-N 0 0 301.802 4.213 50 0 DIAARN CCOC(=O)CCCCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000002378900 180921812 /nfs/dbraw/zinc/92/18/12/180921812.db2.gz ASPUOOKPZNSWBN-UHFFFAOYSA-N 0 0 303.185 4.300 50 0 DIAARN O=C(Nc1ccccc1Cl)N1CCC(C(F)(F)F)CC1 ZINC000174184370 198302688 /nfs/dbraw/zinc/30/26/88/198302688.db2.gz HGYFQSWJUHBLKB-UHFFFAOYSA-N 0 0 306.715 4.146 50 0 DIAARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 ZINC000002508432 180928599 /nfs/dbraw/zinc/92/85/99/180928599.db2.gz NXMHHNNMZLCGAY-UHFFFAOYSA-N 0 0 304.180 4.428 50 0 DIAARN O=C(CCc1ccccc1)c1ccc(Br)cc1F ZINC000002516342 180929956 /nfs/dbraw/zinc/92/99/56/180929956.db2.gz WZFGKUHXSCEYTQ-UHFFFAOYSA-N 0 0 307.162 4.404 50 0 DIAARN CCOc1ccccc1C(=O)CCCCC1OCC(C)(C)CO1 ZINC000002518104 180931386 /nfs/dbraw/zinc/93/13/86/180931386.db2.gz UKJNKIHKNANWTN-UHFFFAOYSA-N 0 0 320.429 4.228 50 0 DIAARN CCOC(=O)CCCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002580272 180937151 /nfs/dbraw/zinc/93/71/51/180937151.db2.gz FYTFCGZSFPKBTC-UHFFFAOYSA-N 0 0 303.185 4.300 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)c1ccc2ccccc2n1 ZINC000002648696 180944202 /nfs/dbraw/zinc/94/42/02/180944202.db2.gz WFIYNPXRCAJGTQ-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002632673 180941580 /nfs/dbraw/zinc/94/15/80/180941580.db2.gz ULWGVDFWMIYISI-LLVKDONJSA-N 0 0 308.208 4.413 50 0 DIAARN O=C(Cc1ccccc1F)Nc1ccc(SC(F)F)cc1 ZINC000002632506 180941849 /nfs/dbraw/zinc/94/18/49/180941849.db2.gz JSHIGTIDHUCMNI-UHFFFAOYSA-N 0 0 311.328 4.322 50 0 DIAARN COc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1OC ZINC000002747619 180951788 /nfs/dbraw/zinc/95/17/88/180951788.db2.gz KCMJUGMMWXWDSY-UHFFFAOYSA-N 0 0 313.397 4.008 50 0 biogenic DIAARN CCc1c(C)scc1C(=O)Nc1sc(C)cc1C(=O)OC ZINC000002749642 180952041 /nfs/dbraw/zinc/95/20/41/180952041.db2.gz MKICUAUGEQFSFO-UHFFFAOYSA-N 0 0 323.439 4.028 50 0 DIAARN Cc1ccccc1CN1CCc2c(OCC(C)C)cccc2C1=O ZINC000002716565 180949471 /nfs/dbraw/zinc/94/94/71/180949471.db2.gz GGEVWHJJOKYLCL-UHFFFAOYSA-N 0 0 323.436 4.228 50 0 DIAARN CCCC[C@H](CC)C(=O)Nc1nnc(-c2cccs2)s1 ZINC000002772462 180954747 /nfs/dbraw/zinc/95/47/47/180954747.db2.gz KOZSWEFMUGOWBG-JTQLQIEISA-N 0 0 309.460 4.422 50 0 DIAARN Cc1ccc2nc(-c3nnc(-c4ccc(F)cc4)o3)ccc2c1 ZINC000002786480 180957558 /nfs/dbraw/zinc/95/75/58/180957558.db2.gz JDHJBJVKKXIJKM-UHFFFAOYSA-N 0 0 305.312 4.399 50 0 DIAARN CCc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)s1 ZINC000002754960 180952865 /nfs/dbraw/zinc/95/28/65/180952865.db2.gz GJTKVGBCXOTZCD-UHFFFAOYSA-N 0 0 322.433 4.418 50 0 DIAARN COc1ccc(OCCCOc2cc(C)cc(C)c2C)cc1 ZINC000002904899 180969465 /nfs/dbraw/zinc/96/94/65/180969465.db2.gz VKBLWDSJZQUWIX-UHFFFAOYSA-N 0 0 300.398 4.468 50 0 DIAARN c1[nH]c2ccccc2c1Cc1nnc(SCc2ccccc2)o1 ZINC000002911427 180969869 /nfs/dbraw/zinc/96/98/69/180969869.db2.gz CLOJPNFGSCBISF-UHFFFAOYSA-N 0 0 321.405 4.434 50 0 DIAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(C)cc(C)c1 ZINC000002908282 180969888 /nfs/dbraw/zinc/96/98/88/180969888.db2.gz QAWSASTULXJGNQ-KRWDZBQOSA-N 0 0 311.429 4.412 50 0 DIAARN O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002910432 180970132 /nfs/dbraw/zinc/97/01/32/180970132.db2.gz RBTPVRPQCKOBLP-AIGDTVQASA-N 0 0 317.388 4.393 50 0 DIAARN Cc1cc(C)cc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000002887243 180967865 /nfs/dbraw/zinc/96/78/65/180967865.db2.gz MKYHJDDOUZRDIF-UHFFFAOYSA-N 0 0 303.402 4.314 50 0 DIAARN COc1cccc(OCCOc2cc(C)c(Cl)cc2C)c1 ZINC000002983601 180973385 /nfs/dbraw/zinc/97/33/85/180973385.db2.gz LGAARMFODWPPLE-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN COc1ccc(OCCOc2cc(C)c(C)cc2Cl)cc1 ZINC000002985162 180974291 /nfs/dbraw/zinc/97/42/91/180974291.db2.gz SGBWDXZUBYEWJQ-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN CC(C)(C)SCCNC(=O)CSc1ccc(Cl)cc1 ZINC000002986333 180974530 /nfs/dbraw/zinc/97/45/30/180974530.db2.gz BADHVLDYAOGNQY-UHFFFAOYSA-N 0 0 317.907 4.080 50 0 DIAARN CCOc1ccc(OCCCCOc2ccccc2F)cc1 ZINC000002985948 180974708 /nfs/dbraw/zinc/97/47/08/180974708.db2.gz JKHWSMJOIQSEHO-UHFFFAOYSA-N 0 0 304.361 4.462 50 0 DIAARN O=C(OCc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003009614 180976312 /nfs/dbraw/zinc/97/63/12/180976312.db2.gz NXCLFFSIQOXBII-UHFFFAOYSA-N 0 0 316.356 4.275 50 0 DIAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CC1 ZINC000003200793 180991089 /nfs/dbraw/zinc/99/10/89/180991089.db2.gz JQSFBDLBTYYFMZ-UHFFFAOYSA-N 0 0 313.209 4.465 50 0 DIAARN COc1ccccc1NC(=O)Nc1ccccc1Br ZINC000003159284 180987745 /nfs/dbraw/zinc/98/77/45/180987745.db2.gz RKPHYCPTGBOPTQ-UHFFFAOYSA-N 0 0 321.174 4.102 50 0 DIAARN Cc1ccc(SCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000003318296 181004319 /nfs/dbraw/zinc/00/43/19/181004319.db2.gz AMPIBHPQHFNGRM-MRXNPFEDSA-N 0 0 313.466 4.225 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(C)c(C)c1 ZINC000003317984 181004342 /nfs/dbraw/zinc/00/43/42/181004342.db2.gz ULZAPUIVUHPZCP-UHFFFAOYSA-N 0 0 321.376 4.133 50 0 DIAARN COc1ccccc1CCC(=O)Nc1ccc(C)cc1Cl ZINC000003323250 181005409 /nfs/dbraw/zinc/00/54/09/181005409.db2.gz QBCZZBAFNHRYEB-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN CCOC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C ZINC000003325807 181005632 /nfs/dbraw/zinc/00/56/32/181005632.db2.gz GOSKLHJBJIPSAH-UHFFFAOYSA-N 0 0 314.769 4.164 50 0 DIAARN O=C(/C=C/c1nc2ccccc2s1)NCC1CCCCC1 ZINC000003284867 181000140 /nfs/dbraw/zinc/00/01/40/181000140.db2.gz YUQGGARJJNPAQV-ZHACJKMWSA-N 0 0 300.427 4.006 50 0 DIAARN Cc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000003282389 181000238 /nfs/dbraw/zinc/00/02/38/181000238.db2.gz DFTNXSBJYPSRAQ-ZDUSSCGKSA-N 0 0 308.834 4.483 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000003294343 181001633 /nfs/dbraw/zinc/00/16/33/181001633.db2.gz VTGHOTFBJIPTOK-VQHVLOKHSA-N 0 0 301.773 4.309 50 0 DIAARN CCSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 ZINC000003305718 181003069 /nfs/dbraw/zinc/00/30/69/181003069.db2.gz IGDVGWXJUPIZSA-UHFFFAOYSA-N 0 0 310.426 4.004 50 0 DIAARN CCc1ccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000003330358 181006788 /nfs/dbraw/zinc/00/67/88/181006788.db2.gz OWUGSHDIBBZUSL-GFCCVEGCSA-N 0 0 316.392 4.220 50 0 DIAARN CCCCC[C@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000003337063 181007537 /nfs/dbraw/zinc/00/75/37/181007537.db2.gz WQTCXHYCXLNKOU-AWEZNQCLSA-N 0 0 313.445 4.188 50 0 DIAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)NCc1ccccc1 ZINC000003335605 181007778 /nfs/dbraw/zinc/00/77/78/181007778.db2.gz YBZZFGATNVWOLS-INIZCTEOSA-N 0 0 324.493 4.362 50 0 DIAARN Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000003338397 181008279 /nfs/dbraw/zinc/00/82/79/181008279.db2.gz XOCXUPYFILVHLG-UHFFFAOYSA-N 0 0 312.319 4.382 50 0 DIAARN Cc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000003344059 181009321 /nfs/dbraw/zinc/00/93/21/181009321.db2.gz BLMGQTLFOQLZET-SOFGYWHQSA-N 0 0 321.298 4.371 50 0 DIAARN COc1cc(SC)ccc1C(=O)OCc1ccccc1Cl ZINC000003342310 181009460 /nfs/dbraw/zinc/00/94/60/181009460.db2.gz BBZZKLWKBPZYFQ-UHFFFAOYSA-N 0 0 322.813 4.428 50 0 DIAARN CC(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000003348122 181009769 /nfs/dbraw/zinc/00/97/69/181009769.db2.gz XJCIGFPFCVSPMV-HNNXBMFYSA-N 0 0 310.378 4.159 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)o1 ZINC000003347560 181009790 /nfs/dbraw/zinc/00/97/90/181009790.db2.gz QJTFSZFYOWRTLZ-UHFFFAOYSA-N 0 0 316.357 4.032 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 ZINC000003353501 181010555 /nfs/dbraw/zinc/01/05/55/181010555.db2.gz KBNJEJDTJYTMLA-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN O=C(COc1ccc(-c2ccccc2)cc1)NCc1cccs1 ZINC000003399067 181015081 /nfs/dbraw/zinc/01/50/81/181015081.db2.gz DGOADYRTXQLMBB-UHFFFAOYSA-N 0 0 323.417 4.110 50 0 DIAARN Cc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1F ZINC000003413008 181016216 /nfs/dbraw/zinc/01/62/16/181016216.db2.gz CIYFXABTYSIWTK-UHFFFAOYSA-N 0 0 308.356 4.338 50 0 DIAARN Cc1cc2occ(CC(=O)N3CCc4ccccc43)c2cc1C ZINC000003417671 181016767 /nfs/dbraw/zinc/01/67/67/181016767.db2.gz DYPUKCVRBQHSHI-UHFFFAOYSA-N 0 0 305.377 4.181 50 0 DIAARN COCc1c2ccccc2oc1C(=O)NC1CCCCCC1 ZINC000003417602 181017109 /nfs/dbraw/zinc/01/71/09/181017109.db2.gz MTKAQMFMOAAIRQ-UHFFFAOYSA-N 0 0 301.386 4.032 50 0 DIAARN CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1ccccc1F ZINC000003421733 181017533 /nfs/dbraw/zinc/01/75/33/181017533.db2.gz ODWDGFSQXALBDS-VXGBXAGGSA-N 0 0 321.421 4.113 50 0 DIAARN CSCc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000003438943 181019685 /nfs/dbraw/zinc/01/96/85/181019685.db2.gz NHYFHWBYFJCHBF-UHFFFAOYSA-N 0 0 323.364 4.403 50 0 DIAARN CCc1onc(C)c1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000003437145 181019690 /nfs/dbraw/zinc/01/96/90/181019690.db2.gz VVSHXZOPGXNMRC-UHFFFAOYSA-N 0 0 312.341 4.112 50 0 DIAARN COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000003443687 181020106 /nfs/dbraw/zinc/02/01/06/181020106.db2.gz NGEAZEWHQRUQDG-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN CCc1cccc(CC)c1NC(=O)COc1cccc(C)c1C ZINC000003446192 181020983 /nfs/dbraw/zinc/02/09/83/181020983.db2.gz NQICUUJAJAZZQC-UHFFFAOYSA-N 0 0 311.425 4.446 50 0 DIAARN O=C(COc1ccccc1Cc1ccccc1)NC1CCCCC1 ZINC000003451109 181021477 /nfs/dbraw/zinc/02/14/77/181021477.db2.gz YEPCVNDGSPAQBR-UHFFFAOYSA-N 0 0 323.436 4.105 50 0 DIAARN CCc1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1 ZINC000003473055 181024298 /nfs/dbraw/zinc/02/42/98/181024298.db2.gz NXSHQYAPZOGXLS-UHFFFAOYSA-N 0 0 309.365 4.185 50 0 DIAARN Cc1ccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)cc1 ZINC000003469761 181024386 /nfs/dbraw/zinc/02/43/86/181024386.db2.gz PGOLDYUZTIUVRM-ZDUSSCGKSA-N 0 0 321.471 4.251 50 0 DIAARN CCOc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000003482923 181025067 /nfs/dbraw/zinc/02/50/67/181025067.db2.gz VEWBFMFKUAYEDS-UHFFFAOYSA-N 0 0 309.365 4.321 50 0 DIAARN COc1ccc2oc(C(=O)Nc3cccc(C(C)=O)c3)c(C)c2c1 ZINC000003517083 181029160 /nfs/dbraw/zinc/02/91/60/181029160.db2.gz LNXSHLYDQKMJRO-UHFFFAOYSA-N 0 0 323.348 4.205 50 0 DIAARN O=C(Cc1ccc(Cl)cc1Cl)N1CCc2ccccc21 ZINC000003517585 181029220 /nfs/dbraw/zinc/02/92/20/181029220.db2.gz RTHTVVRDESHYMB-UHFFFAOYSA-N 0 0 306.192 4.125 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1OC ZINC000003548356 181032892 /nfs/dbraw/zinc/03/28/92/181032892.db2.gz MXMRUWPLNAUCPJ-MDZDMXLPSA-N 0 0 317.772 4.009 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000003548556 181033153 /nfs/dbraw/zinc/03/31/53/181033153.db2.gz YTZRPMXOQDTSSU-UHFFFAOYSA-N 0 0 313.397 4.135 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)c1c(F)cccc1Cl ZINC000003549887 181033505 /nfs/dbraw/zinc/03/35/05/181033505.db2.gz KNNROHWPRAACGZ-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN Cc1cc(C(=O)CCC(=O)Nc2ccc(C)cc2)c(C)s1 ZINC000003554474 181033745 /nfs/dbraw/zinc/03/37/45/181033745.db2.gz PRWGBDPFAJYJBQ-UHFFFAOYSA-N 0 0 301.411 4.275 50 0 DIAARN CCCc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 ZINC000003555555 181033997 /nfs/dbraw/zinc/03/39/97/181033997.db2.gz YYUJDZFHKRWYKV-UHFFFAOYSA-N 0 0 323.421 4.410 50 0 DIAARN COc1ccc2c(CC(=O)Nc3ccc4c(c3)CCC4)coc2c1 ZINC000003556162 181034050 /nfs/dbraw/zinc/03/40/50/181034050.db2.gz RWMKFTPJNLCXNQ-UHFFFAOYSA-N 0 0 321.376 4.111 50 0 DIAARN O=C(CCSc1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000003561544 181034938 /nfs/dbraw/zinc/03/49/38/181034938.db2.gz PPSXAVZNCNSDQP-UHFFFAOYSA-N 0 0 311.328 4.225 50 0 DIAARN O=C(NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000003562300 181035379 /nfs/dbraw/zinc/03/53/79/181035379.db2.gz SPZBPBVALCMWIT-UHFFFAOYSA-N 0 0 313.706 4.289 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)ccc1Cl ZINC000003572873 181036283 /nfs/dbraw/zinc/03/62/83/181036283.db2.gz YPNKCPHIOSJVAY-ZWNOBZJWSA-N 0 0 316.228 4.067 50 0 DIAARN CC(=O)c1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1 ZINC000003605519 181039431 /nfs/dbraw/zinc/03/94/31/181039431.db2.gz BHTKLRBYMBFGHK-UHFFFAOYSA-N 0 0 313.422 4.237 50 0 DIAARN CC(=O)Nc1cccc(Oc2ncnc3sc(C)c(C)c32)c1 ZINC000003568191 181036589 /nfs/dbraw/zinc/03/65/89/181036589.db2.gz VGIPPCWHVZWXRM-UHFFFAOYSA-N 0 0 313.382 4.059 50 0 DIAARN CCc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000003571220 181036710 /nfs/dbraw/zinc/03/67/10/181036710.db2.gz BALUUZIPXDZYQT-UHFFFAOYSA-N 0 0 324.405 4.274 50 0 DIAARN C[C@@]12C[C@@H](c3ccccc3O1)N1Cc3ccccc3CSC1=N2 ZINC000003592532 181037645 /nfs/dbraw/zinc/03/76/45/181037645.db2.gz GOPKBGORRFGSNU-LPHOPBHVSA-N 0 0 322.433 4.345 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1nc2ccc(C)cc2s1 ZINC000003592176 181037905 /nfs/dbraw/zinc/03/79/05/181037905.db2.gz PMPIZRNFSFGLLB-CSKARUKUSA-N 0 0 324.405 4.265 50 0 DIAARN CC(=O)c1cccc(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)c1 ZINC000003588423 181038007 /nfs/dbraw/zinc/03/80/07/181038007.db2.gz PZHNLKQAMFFOFQ-SFHVURJKSA-N 0 0 322.408 4.219 50 0 DIAARN COc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000003607660 181040188 /nfs/dbraw/zinc/04/01/88/181040188.db2.gz KNOSCIBXODNMKQ-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN O=C(NCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003846220 181049235 /nfs/dbraw/zinc/04/92/35/181049235.db2.gz WAXQWMPXAGQXFX-UHFFFAOYSA-N 0 0 301.389 4.249 50 0 DIAARN Cc1c(OCc2ccccc2F)ccc2c3c(c(=O)oc12)CCC3 ZINC000003893160 181053056 /nfs/dbraw/zinc/05/30/56/181053056.db2.gz XEQORMUEYLFWKC-UHFFFAOYSA-N 0 0 324.351 4.308 50 0 DIAARN FC(F)(F)c1nc(NCc2ccccc2)nc2c1CCCCC2 ZINC000003896199 181053696 /nfs/dbraw/zinc/05/36/96/181053696.db2.gz DGLSJBMQODRGRQ-UHFFFAOYSA-N 0 0 321.346 4.376 50 0 DIAARN O=C(Oc1ccc(Cl)c2cccnc12)N1CCCCCC1 ZINC000003903792 181054852 /nfs/dbraw/zinc/05/48/52/181054852.db2.gz DAQAOBSFLSGZHC-UHFFFAOYSA-N 0 0 304.777 4.263 50 0 DIAARN CN(C(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccccc1 ZINC000003908249 181056343 /nfs/dbraw/zinc/05/63/43/181056343.db2.gz QRBCWMCVNMNWEX-UHFFFAOYSA-N 0 0 312.756 4.272 50 0 DIAARN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCCCC1 ZINC000003908241 181056391 /nfs/dbraw/zinc/05/63/91/181056391.db2.gz NNKXDPJEMSPRRP-UHFFFAOYSA-N 0 0 304.777 4.011 50 0 DIAARN CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)CSC2 ZINC000003912429 181057474 /nfs/dbraw/zinc/05/74/74/181057474.db2.gz OXCWLUXVGJZFOT-UHFFFAOYSA-N 0 0 321.490 4.294 50 0 DIAARN CCOc1cccc(=O)c2c(C)n(Cc3ccccc3)c(C)c21 ZINC000004027328 181063661 /nfs/dbraw/zinc/06/36/61/181063661.db2.gz ZAKGUTRIBHLYLU-UHFFFAOYSA-N 0 0 307.393 4.065 50 0 biogenic DIAARN CC(=O)c1ccc(C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000004031743 181064994 /nfs/dbraw/zinc/06/49/94/181064994.db2.gz GBBJQZKSWRASQT-UHFFFAOYSA-N 0 0 310.378 4.060 50 0 DIAARN Cc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 ZINC000004038772 181065687 /nfs/dbraw/zinc/06/56/87/181065687.db2.gz PZTHQMPLDZTMQC-UHFFFAOYSA-N 0 0 320.388 4.478 50 0 DIAARN CCOc1ccccc1NC(=O)COc1ccccc1C(C)C ZINC000003957230 181059400 /nfs/dbraw/zinc/05/94/00/181059400.db2.gz OAQZPFAIMJKKQB-UHFFFAOYSA-N 0 0 313.397 4.226 50 0 DIAARN O=C(Nc1ccc(Br)cc1)N1CCCCCCC1 ZINC000003958201 181059552 /nfs/dbraw/zinc/05/95/52/181059552.db2.gz RUQXVBHDIDOIQB-UHFFFAOYSA-N 0 0 311.223 4.247 50 0 DIAARN O=C(NCCCCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004010496 181062248 /nfs/dbraw/zinc/06/22/48/181062248.db2.gz OJKMKEJRZKYFPV-UHFFFAOYSA-N 0 0 311.469 4.342 50 0 DIAARN CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c[nH]c2ccccc12 ZINC000004089220 181071997 /nfs/dbraw/zinc/07/19/97/181071997.db2.gz FDDKOGGAQLAYGN-FQEVSTJZSA-N 0 0 301.393 4.227 50 0 biogenic DIAARN Cc1cc(-c2ccc(Br)s2)nc(-n2cccc2)n1 ZINC000004088715 181072244 /nfs/dbraw/zinc/07/22/44/181072244.db2.gz DMIQCCQPGJOZFK-UHFFFAOYSA-N 0 0 320.215 4.067 50 0 DIAARN C[C@@H]1CC[C@@H](OC(=O)NC(C(F)(F)F)C(F)(F)F)C[C@@H]1C ZINC000004099927 181073347 /nfs/dbraw/zinc/07/33/47/181073347.db2.gz SZSOGTRGOFUSDT-GJMOJQLCSA-N 0 0 321.261 4.031 50 0 DIAARN CCc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 ZINC000004108463 181073845 /nfs/dbraw/zinc/07/38/45/181073845.db2.gz SQXZSZQJCBJWCM-UHFFFAOYSA-N 0 0 310.422 4.461 50 0 DIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N[C@H]2CCCC[C@@H]32)cc1 ZINC000004053779 181067085 /nfs/dbraw/zinc/06/70/85/181067085.db2.gz LBDJUXTWZRBICZ-WMZOPIPTSA-N 0 0 322.408 4.399 50 0 DIAARN Cc1c(OCCc2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004056211 181067319 /nfs/dbraw/zinc/06/73/19/181067319.db2.gz LRQTVRXUSYMMBA-UHFFFAOYSA-N 0 0 320.388 4.212 50 0 DIAARN CC(=O)c1sc(Nc2ccc(C(F)(F)F)cc2)nc1C ZINC000004053771 181067420 /nfs/dbraw/zinc/06/74/20/181067420.db2.gz HJCORXFMYKJKHS-UHFFFAOYSA-N 0 0 300.305 4.417 50 0 DIAARN CCCCn1cnc2scc(-c3ccc(CC)cc3)c2c1=O ZINC000004056420 181067535 /nfs/dbraw/zinc/06/75/35/181067535.db2.gz NHDFYHVZQKBGIU-UHFFFAOYSA-N 0 0 312.438 4.488 50 0 DIAARN CCCn1cc(SCC(=O)NC2CCCC2)c2ccccc21 ZINC000004060616 181067968 /nfs/dbraw/zinc/06/79/68/181067968.db2.gz FIUWKRCRVKMZHA-UHFFFAOYSA-N 0 0 316.470 4.202 50 0 DIAARN Cc1cc2cc(CNC(=O)CCCc3ccccc3)ccc2n1C ZINC000004061570 181068226 /nfs/dbraw/zinc/06/82/26/181068226.db2.gz GZVQUJSJYNYQDQ-UHFFFAOYSA-N 0 0 320.436 4.126 50 0 DIAARN Cc1cc2cc(CNC(=O)c3ccccc3Cl)ccc2n1C ZINC000004061506 181068356 /nfs/dbraw/zinc/06/83/56/181068356.db2.gz DDPGYPRQYUUJMZ-UHFFFAOYSA-N 0 0 312.800 4.070 50 0 DIAARN Cc1cc(C)c(C)c(-c2nnc(NC(=O)C(C)C)s2)c1C ZINC000004070323 181068951 /nfs/dbraw/zinc/06/89/51/181068951.db2.gz UWMBVWYFWVUWIS-UHFFFAOYSA-N 0 0 303.431 4.033 50 0 DIAARN O=C(Nc1nc2c(cccc2Cl)s1)c1c(F)cccc1F ZINC000004071280 181070002 /nfs/dbraw/zinc/07/00/02/181070002.db2.gz FEIUYKSBQGJMPR-UHFFFAOYSA-N 0 0 324.739 4.480 50 0 DIAARN COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004174444 181081469 /nfs/dbraw/zinc/08/14/69/181081469.db2.gz IGQKNNHCVADWSQ-UHFFFAOYSA-N 0 0 314.429 4.094 50 0 DIAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccn1 ZINC000004123460 181076522 /nfs/dbraw/zinc/07/65/22/181076522.db2.gz PWDICYFTCVZFHK-FQEVSTJZSA-N 0 0 314.392 4.468 50 0 DIAARN CCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004123830 181076814 /nfs/dbraw/zinc/07/68/14/181076814.db2.gz OJWOWYJQDMXMRZ-UHFFFAOYSA-N 0 0 300.446 4.358 50 0 DIAARN O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccco1 ZINC000004135305 181077570 /nfs/dbraw/zinc/07/75/70/181077570.db2.gz PITBRVMASAQJTP-UHFFFAOYSA-N 0 0 304.305 4.340 50 0 DIAARN CC(C)CCSc1nnc(-c2c[nH]c3ccccc23)n1C ZINC000004138333 181078060 /nfs/dbraw/zinc/07/80/60/181078060.db2.gz YDOAZKYBFNFCOH-UHFFFAOYSA-N 0 0 300.431 4.102 50 0 DIAARN O=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2 ZINC000004164948 181080065 /nfs/dbraw/zinc/08/00/65/181080065.db2.gz XGJKXIQPTYXYCS-UHFFFAOYSA-N 0 0 306.456 4.045 50 0 DIAARN Cc1cc(C(C)(C)C)cc(C)c1N1C(=O)c2ccccc2C1=O ZINC000004258038 181088520 /nfs/dbraw/zinc/08/85/20/181088520.db2.gz KGBBLQPVMANRNR-UHFFFAOYSA-N 0 0 307.393 4.402 50 0 DIAARN O=C(Nc1ccc2sccc2c1)c1coc2ccccc2c1=O ZINC000004194669 181084050 /nfs/dbraw/zinc/08/40/50/181084050.db2.gz ASRNQQWHUBTBCW-UHFFFAOYSA-N 0 0 321.357 4.260 50 0 DIAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)C1CCCCC1 ZINC000004224084 181086081 /nfs/dbraw/zinc/08/60/81/181086081.db2.gz LRFVZZXDBFXVQG-UHFFFAOYSA-N 0 0 314.410 4.221 50 0 DIAARN CSc1ccc(C=Cc2nnc(-c3ccccc3O)[nH]2)cc1 ZINC000004281859 181093030 /nfs/dbraw/zinc/09/30/30/181093030.db2.gz ZOFIKMWBDUSFPV-DHZHZOJOSA-N 0 0 309.394 4.070 50 0 DIAARN N=[S@@](Cc1ccc(Br)cc1)Nc1ccccc1 ZINC000004322077 181097703 /nfs/dbraw/zinc/09/77/03/181097703.db2.gz AYYBBVMTCUORMS-KRWDZBQOSA-N 0 0 309.232 4.357 50 0 DIAARN CC(=O)c1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000004330998 181098708 /nfs/dbraw/zinc/09/87/08/181098708.db2.gz DRZMQNIVSMNINM-UHFFFAOYSA-N 0 0 324.405 4.368 50 0 DIAARN O=C(COC(=O)c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000004332637 181099383 /nfs/dbraw/zinc/09/93/83/181099383.db2.gz SUOMRYKKGUBBMZ-UHFFFAOYSA-N 0 0 320.753 4.187 50 0 DIAARN Cc1c2ccc(OC(=O)C3CC3)cc2oc(=O)c1-c1ccccc1 ZINC000004340248 181099866 /nfs/dbraw/zinc/09/98/66/181099866.db2.gz AFRQEMGZGDVKOI-UHFFFAOYSA-N 0 0 320.344 4.084 50 0 DIAARN CCc1cccc2sc(NC(=O)c3cccc(F)c3)nc21 ZINC000004348317 181101249 /nfs/dbraw/zinc/10/12/49/181101249.db2.gz BHAYQMWJRMBZSN-UHFFFAOYSA-N 0 0 300.358 4.250 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(F)c2)cc1 ZINC000004354968 181101988 /nfs/dbraw/zinc/10/19/88/181101988.db2.gz JUDIEHCETJTWIB-UHFFFAOYSA-N 0 0 319.343 4.007 50 0 DIAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)C ZINC000004414201 181108013 /nfs/dbraw/zinc/10/80/13/181108013.db2.gz PLYIRLJAHFTRBS-UHFFFAOYSA-N 0 0 309.369 4.183 50 0 DIAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CCCO2)cc1 ZINC000004386872 181106139 /nfs/dbraw/zinc/10/61/39/181106139.db2.gz ZTIUXOWJDFTLEV-LJQANCHMSA-N 0 0 322.408 4.275 50 0 DIAARN O=C(NCCSCc1ccccc1Cl)Nc1ccccc1 ZINC000004390624 181106937 /nfs/dbraw/zinc/10/69/37/181106937.db2.gz BWQRKGFHSZSDEU-UHFFFAOYSA-N 0 0 320.845 4.395 50 0 DIAARN O=C(/C=C/c1ccccc1)N1CCS[C@H]1c1ccccc1F ZINC000004527016 181119931 /nfs/dbraw/zinc/11/99/31/181119931.db2.gz BYECQJQLOQLDGE-ZGKFYVQTSA-N 0 0 313.397 4.113 50 0 DIAARN O=C1CCc2ccc(cc2)CCCCc2ccc(cc2)CC[C@H]1O ZINC000004530411 181120022 /nfs/dbraw/zinc/12/00/22/181120022.db2.gz VQKMEOFHSBVSJM-OAQYLSRUSA-N 0 0 322.448 4.061 50 0 DIAARN CCc1ccccc1NC(=O)CCc1ccc(OC)c(Cl)c1 ZINC000004542046 181121626 /nfs/dbraw/zinc/12/16/26/181121626.db2.gz NMLCVVSAXXEGAQ-UHFFFAOYSA-N 0 0 317.816 4.482 50 0 DIAARN COc1ccc(Cl)cc1NCc1nnc(-c2ccccc2)o1 ZINC000004539002 181121664 /nfs/dbraw/zinc/12/16/64/181121664.db2.gz RXBDUPQHXNBYKI-UHFFFAOYSA-N 0 0 315.760 4.011 50 0 DIAARN CCCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)cc1 ZINC000004539038 181121934 /nfs/dbraw/zinc/12/19/34/181121934.db2.gz KQUNMAORKQRHRL-FQEVSTJZSA-N 0 0 322.408 4.173 50 0 DIAARN C(=C/c1nn2c(nnc2-c2ccccc2)s1)\c1cccs1 ZINC000004538914 181121956 /nfs/dbraw/zinc/12/19/56/181121956.db2.gz LWZSRMDARBCVCC-CMDGGOBGSA-N 0 0 310.407 4.085 50 0 DIAARN COc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1Cl ZINC000004542569 181122491 /nfs/dbraw/zinc/12/24/91/181122491.db2.gz FDMIDSNHNCPYBB-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCCCC1 ZINC000004543220 181122663 /nfs/dbraw/zinc/12/26/63/181122663.db2.gz BLGIEOYYHRTOSH-UHFFFAOYSA-N 0 0 322.619 4.038 50 0 DIAARN CCOc1ccccc1[C@H]1Nc2ccccc2-c2cc(C)nn21 ZINC000004458648 181110931 /nfs/dbraw/zinc/11/09/31/181110931.db2.gz CUGBKFWHTAFDHK-IBGZPJMESA-N 0 0 305.381 4.230 50 0 DIAARN Clc1ccc(-c2cn3nc(N4CCCCC4)sc3n2)cc1 ZINC000004475686 181112192 /nfs/dbraw/zinc/11/21/92/181112192.db2.gz DMHHIJLFIXUFTB-UHFFFAOYSA-N 0 0 318.833 4.102 50 0 DIAARN Cc1cc2nc3n(c2cc1C)[C@@H](O)C=C(c1ccccc1)S3 ZINC000004502757 181116176 /nfs/dbraw/zinc/11/61/76/181116176.db2.gz XXZIBERAAKONHZ-KRWDZBQOSA-N 0 0 308.406 4.291 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)CCCC3)C1(C)C ZINC000004511956 181118349 /nfs/dbraw/zinc/11/83/49/181118349.db2.gz HVYQPEABVVQOSH-FZMZJTMJSA-N 0 0 304.459 4.199 50 0 DIAARN CSc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000004517376 181118773 /nfs/dbraw/zinc/11/87/73/181118773.db2.gz QJTHVEKFALYSDI-JTQLQIEISA-N 0 0 318.467 4.242 50 0 DIAARN CSc1ccccc1C(=O)Nc1nc2c(cccc2F)s1 ZINC000004517450 181119098 /nfs/dbraw/zinc/11/90/98/181119098.db2.gz KNYHXEYSLVAWFM-UHFFFAOYSA-N 0 0 318.398 4.410 50 0 DIAARN CCCn1c2ccccc2nc1C(=O)c1ccc(OCC)cc1 ZINC000004561542 181124332 /nfs/dbraw/zinc/12/43/32/181124332.db2.gz YRBYVHZIBUNXSA-UHFFFAOYSA-N 0 0 308.381 4.076 50 0 DIAARN Oc1cccc([C@H]2CC(c3ccncc3)=NN2c2ccccc2)c1 ZINC000004567014 181125437 /nfs/dbraw/zinc/12/54/37/181125437.db2.gz KCGAOYONNBACJZ-HXUWFJFHSA-N 0 0 315.376 4.143 50 0 DIAARN O=c1oc2ccccc2n1CCCOc1cccc2ccccc21 ZINC000004569002 181125608 /nfs/dbraw/zinc/12/56/08/181125608.db2.gz YPFUQWWBQAWBKX-UHFFFAOYSA-N 0 0 319.360 4.217 50 0 DIAARN COc1cccc(/C=C2\N=C(/C=C/c3ccc(C)cc3)OC2=O)c1 ZINC000004589972 181128169 /nfs/dbraw/zinc/12/81/69/181128169.db2.gz RCOMXIZITSTBLD-JAVCTNCCSA-N 0 0 319.360 4.013 50 0 DIAARN C[C@@]12CCc3ccccc3[C@@]1(C)N(Cc1ccccc1)C(=O)O2 ZINC000004654055 181132917 /nfs/dbraw/zinc/13/29/17/181132917.db2.gz JLRBDLSMFZOAJI-WOJBJXKFSA-N 0 0 307.393 4.259 50 0 DIAARN Cc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn32)cc1 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COc1cc(C)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000004701916 181138992 /nfs/dbraw/zinc/13/89/92/181138992.db2.gz AIBNKMLFGZHCBU-UHFFFAOYSA-N 0 0 300.398 4.468 50 0 DIAARN Cc1ccc(Nc2nc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000004675538 181135379 /nfs/dbraw/zinc/13/53/79/181135379.db2.gz RMUKQJKBOZFBHO-UHFFFAOYSA-N 0 0 315.442 4.211 50 0 DIAARN CCCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000004682340 181136602 /nfs/dbraw/zinc/13/66/02/181136602.db2.gz UXGPXRUZERZVHG-UHFFFAOYSA-N 0 0 300.358 4.051 50 0 DIAARN COc1cc(C)ccc1OCCCCOc1ccccc1F ZINC000004702094 181139842 /nfs/dbraw/zinc/13/98/42/181139842.db2.gz RHGLDHATYZRRQX-UHFFFAOYSA-N 0 0 304.361 4.381 50 0 DIAARN CCCC[C@@H](CC)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000004694495 181137496 /nfs/dbraw/zinc/13/74/96/181137496.db2.gz LPGQSNRXUBEFHP-OAHLLOKOSA-N 0 0 318.461 4.227 50 0 DIAARN Cc1cc2n(n1)[C@H](c1ccc3cccnc3c1)Nc1ccccc1-2 ZINC000004707161 181140636 /nfs/dbraw/zinc/14/06/36/181140636.db2.gz WJYSJNZUQOKEGO-HXUWFJFHSA-N 0 0 312.376 4.379 50 0 DIAARN 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CC(=O)c1ccc(-c2cccc(-c3ccn(CCF)n3)c2)cc1 ZINC000020406364 182214757 /nfs/dbraw/zinc/21/47/57/182214757.db2.gz AJGRVMCWYSJWEF-UHFFFAOYSA-N 0 0 308.356 4.389 50 0 DIAARN CC(C)CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329748 182208555 /nfs/dbraw/zinc/20/85/55/182208555.db2.gz QLRUDRJSROGDJB-UHFFFAOYSA-N 0 0 316.792 4.396 50 0 DIAARN FC(F)(F)c1cccnc1NCCc1c[nH]c2ccccc12 ZINC000020366809 182211754 /nfs/dbraw/zinc/21/17/54/182211754.db2.gz VTDAXWFZMVQHQD-UHFFFAOYSA-N 0 0 305.303 4.236 50 0 DIAARN Cc1ccc(-c2nc3c(c(=S)[nH]2)Cc2ccc(O)cc2O3)cc1 ZINC000020380575 182212958 /nfs/dbraw/zinc/21/29/58/182212958.db2.gz XSMGBYFYQQCRON-UHFFFAOYSA-N 0 0 322.389 4.143 50 0 DIAARN C[C@H]1CCc2onc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000020572136 182234393 /nfs/dbraw/zinc/23/43/93/182234393.db2.gz NLNDFTAZKRKAEJ-VIFPVBQESA-N 0 0 324.302 4.071 50 0 DIAARN CC(C)c1ccc(-c2c(=O)c(=O)c2NC2CCCCCC2)cc1 ZINC000020510231 182225543 /nfs/dbraw/zinc/22/55/43/182225543.db2.gz OZCSUURKCPSZGE-UHFFFAOYSA-N 0 0 311.425 4.208 50 0 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0 DIAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 ZINC000036776090 182842633 /nfs/dbraw/zinc/84/26/33/182842633.db2.gz LFJHGLBVBZUXOL-HNNXBMFYSA-N 0 0 319.408 4.071 50 0 DIAARN C[C@@H](NCc1nccn1C(F)F)c1ccc(Cl)cc1Cl ZINC000036804912 182844633 /nfs/dbraw/zinc/84/46/33/182844633.db2.gz FKTATMAPNZKEJQ-MRVPVSSYSA-N 0 0 320.170 4.436 50 0 DIAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000036620407 182829847 /nfs/dbraw/zinc/82/98/47/182829847.db2.gz VTRHHBJETVXCTC-INIZCTEOSA-N 0 0 324.380 4.093 50 0 DIAARN CCNC(=O)c1cc2sc(C)cc2n1Cc1cccc(C)c1 ZINC000037542021 182905761 /nfs/dbraw/zinc/90/57/61/182905761.db2.gz BBCNQMCZNIMFPV-UHFFFAOYSA-N 0 0 312.438 4.118 50 0 DIAARN Cc1cc2c(cc(C(=O)NC3CC3)n2Cc2ccc(C)cc2)s1 ZINC000037542007 182905983 /nfs/dbraw/zinc/90/59/83/182905983.db2.gz SZFIJMXOBHTVCC-UHFFFAOYSA-N 0 0 324.449 4.260 50 0 DIAARN C[C@H](Cc1cccs1)NC(=O)NCc1cccc2ccccc21 ZINC000038489514 183000601 /nfs/dbraw/zinc/00/06/01/183000601.db2.gz PRMDOVYXHHOSMQ-CQSZACIVSA-N 0 0 324.449 4.332 50 0 DIAARN Cc1c(Br)n(C(=O)OC(C)(C)C)c2ccccc12 ZINC000039004475 183013352 /nfs/dbraw/zinc/01/33/52/183013352.db2.gz NVJYNNQGUPOOCB-UHFFFAOYSA-N 0 0 310.191 4.495 50 0 DIAARN O=C(c1c(F)cccc1Cl)N1CC[C@H](c2ccccc2)C1 ZINC000038567077 183002944 /nfs/dbraw/zinc/00/29/44/183002944.db2.gz KBQZABUCRWIMLU-ZDUSSCGKSA-N 0 0 303.764 4.109 50 0 DIAARN CSc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000038591212 183003634 /nfs/dbraw/zinc/00/36/34/183003634.db2.gz PYSUJQQUQLMPGR-UHFFFAOYSA-N 0 0 315.413 4.009 50 0 DIAARN O=C(NCc1ccsc1)C1c2ccccc2Oc2ccccc21 ZINC000038586390 183003753 /nfs/dbraw/zinc/00/37/53/183003753.db2.gz MGDNDRYTKKEVFN-UHFFFAOYSA-N 0 0 321.401 4.302 50 0 DIAARN O=C(Nc1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000038671415 183006313 /nfs/dbraw/zinc/00/63/13/183006313.db2.gz GUHYVEGDIDIGCO-UHFFFAOYSA-N 0 0 313.407 4.420 50 0 DIAARN CC(C)[C@@H](C)NC(=O)Nc1ccc(Br)cc1Cl ZINC000040023883 183028038 /nfs/dbraw/zinc/02/80/38/183028038.db2.gz GGGZZVJXCWYQLS-MRVPVSSYSA-N 0 0 319.630 4.269 50 0 DIAARN O=C(Oc1cccc(F)c1)c1ccccc1C(=O)c1ccccc1 ZINC000040042668 183029109 /nfs/dbraw/zinc/02/91/09/183029109.db2.gz BCPUBKXJZKNDKN-UHFFFAOYSA-N 0 0 320.319 4.276 50 0 DIAARN O=C(Nc1ccc(Cl)c2cccnc12)c1n[nH]c2ccccc21 ZINC000040050343 183029722 /nfs/dbraw/zinc/02/97/22/183029722.db2.gz HIWVEZMKIBTUOF-UHFFFAOYSA-N 0 0 322.755 4.017 50 0 DIAARN C/C=C/C=C/C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000040049217 183029882 /nfs/dbraw/zinc/02/98/82/183029882.db2.gz IZPSTCKWWJBOPO-VNKDHWASSA-N 0 0 318.373 4.029 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)NCCc1ccc(F)cc1 ZINC000040058067 183030245 /nfs/dbraw/zinc/03/02/45/183030245.db2.gz XNOPMBMNEUFLFI-UHFFFAOYSA-N 0 0 306.768 4.152 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)[C@@H]2CCc3ccccc32)o1 ZINC000040049955 183030250 /nfs/dbraw/zinc/03/02/50/183030250.db2.gz BQBXYKODNSRTEO-MDASCCDHSA-N 0 0 323.436 4.482 50 0 DIAARN OCc1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000039027207 183013873 /nfs/dbraw/zinc/01/38/73/183013873.db2.gz XPKZCTCRUPIJEF-UHFFFAOYSA-N 0 0 320.388 4.337 50 0 DIAARN Fc1ccc(Cc2ccc(I)s2)cc1 ZINC000039091454 183013962 /nfs/dbraw/zinc/01/39/62/183013962.db2.gz PNRNSMBTRRXYBQ-UHFFFAOYSA-N 0 0 318.154 4.083 50 0 DIAARN O=c1n(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1 ZINC000039930521 183022800 /nfs/dbraw/zinc/02/28/00/183022800.db2.gz ODYFNEZFPKKHPA-UHFFFAOYSA-N 0 0 312.372 4.295 50 0 DIAARN CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCCc2ccccc21 ZINC000039976099 183026154 /nfs/dbraw/zinc/02/61/54/183026154.db2.gz LIHPYKJJQQBBGW-QGZVFWFLSA-N 0 0 301.336 4.114 50 0 DIAARN C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(F)c1 ZINC000040144969 183040017 /nfs/dbraw/zinc/04/00/17/183040017.db2.gz LNWYENGCGOGMGB-SNVBAGLBSA-N 0 0 316.763 4.451 50 0 DIAARN Cc1ccccc1CNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000040145080 183040130 /nfs/dbraw/zinc/04/01/30/183040130.db2.gz IHKWNOXZTKKCSI-UHFFFAOYSA-N 0 0 316.763 4.199 50 0 DIAARN Cc1oc(-c2ccccc2)nc1CN(Cc1ccccn1)C(C)C ZINC000040153682 183040634 /nfs/dbraw/zinc/04/06/34/183040634.db2.gz YFVXISZNQSJQBD-UHFFFAOYSA-N 0 0 321.424 4.456 50 0 DIAARN COc1cc(C(C)=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000040159346 183041551 /nfs/dbraw/zinc/04/15/51/183041551.db2.gz ZVJGSSMETSNBGR-UHFFFAOYSA-N 0 0 324.298 4.496 50 0 DIAARN Cc1cc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)c(C)s1 ZINC000040074304 183031580 /nfs/dbraw/zinc/03/15/80/183031580.db2.gz QURSIXILLAIPMM-LBPRGKRZSA-N 0 0 312.438 4.266 50 0 DIAARN CN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1 ZINC000040082768 183031863 /nfs/dbraw/zinc/03/18/63/183031863.db2.gz FDNBJQRDEBGLEU-UHFFFAOYSA-N 0 0 311.772 4.007 50 0 DIAARN Cc1ccccc1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000040081590 183031995 /nfs/dbraw/zinc/03/19/95/183031995.db2.gz DNHCYFZEALXJDF-UHFFFAOYSA-N 0 0 306.365 4.195 50 0 DIAARN CCc1cccc(NC(=O)c2cc(-c3ccccc3F)on2)c1 ZINC000040087368 183032937 /nfs/dbraw/zinc/03/29/37/183032937.db2.gz BCUWKGJQPIXKMU-UHFFFAOYSA-N 0 0 310.328 4.295 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnsc2Cl)C2CC2)o1 ZINC000040088681 183032948 /nfs/dbraw/zinc/03/29/48/183032948.db2.gz YLMDNBKRZMTXCV-SKDRFNHKSA-N 0 0 323.849 4.073 50 0 DIAARN C[C@@H](NC(=O)CCSC(F)(F)F)c1cc2ccccc2o1 ZINC000040088836 183032960 /nfs/dbraw/zinc/03/29/60/183032960.db2.gz AJINKQBQOJCASG-SECBINFHSA-N 0 0 317.332 4.253 50 0 DIAARN C[C@H](NC(=O)CCSC(F)(F)F)c1cc2ccccc2o1 ZINC000040088835 183033039 /nfs/dbraw/zinc/03/30/39/183033039.db2.gz AJINKQBQOJCASG-VIFPVBQESA-N 0 0 317.332 4.253 50 0 DIAARN CC[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1OC ZINC000040090470 183033346 /nfs/dbraw/zinc/03/33/46/183033346.db2.gz COPOHHPZWFHROX-NKSUMMKUSA-N 0 0 301.411 4.037 50 0 DIAARN COCc1ccccc1CNC(=O)Nc1cccc(Cl)c1C ZINC000040096506 183034091 /nfs/dbraw/zinc/03/40/91/183034091.db2.gz DOYYQQGNOKKISX-UHFFFAOYSA-N 0 0 318.804 4.117 50 0 DIAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000040095432 183034109 /nfs/dbraw/zinc/03/41/09/183034109.db2.gz BPWQOBOOWCWKMS-GFCCVEGCSA-N 0 0 304.340 4.464 50 0 DIAARN Cc1cc(NC(=O)N2CCCC[C@H]2C)ccc1Br ZINC000040097476 183034195 /nfs/dbraw/zinc/03/41/95/183034195.db2.gz RDIMZIYVMDVWOK-LLVKDONJSA-N 0 0 311.223 4.164 50 0 DIAARN CN(C(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000040095245 183034289 /nfs/dbraw/zinc/03/42/89/183034289.db2.gz RXRRJBRNCOKOHN-UHFFFAOYSA-N 0 0 311.223 4.246 50 0 DIAARN CC[C@@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000040095215 183034326 /nfs/dbraw/zinc/03/43/26/183034326.db2.gz JOMWWJGBHUYMFO-LLVKDONJSA-N 0 0 311.223 4.103 50 0 DIAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000040095429 183034328 /nfs/dbraw/zinc/03/43/28/183034328.db2.gz BPWQOBOOWCWKMS-LBPRGKRZSA-N 0 0 304.340 4.464 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@H](C)C2)c(Br)c1 ZINC000040098517 183034931 /nfs/dbraw/zinc/03/49/31/183034931.db2.gz DLIDTVGJDLCREU-NSHDSACASA-N 0 0 311.223 4.021 50 0 DIAARN Cc1cc(C)cc(Oc2cc(CNC(=O)CC(C)C)ccn2)c1 ZINC000040106803 183035201 /nfs/dbraw/zinc/03/52/01/183035201.db2.gz HPWHTIRCKSZKCU-UHFFFAOYSA-N 0 0 312.413 4.153 50 0 DIAARN Cc1ccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c(Cl)c1 ZINC000040105492 183035626 /nfs/dbraw/zinc/03/56/26/183035626.db2.gz MPBNISIRMXHGIO-BBRMVZONSA-N 0 0 324.852 4.365 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)N1CCC(C)CC1 ZINC000040103640 183035693 /nfs/dbraw/zinc/03/56/93/183035693.db2.gz JDFWFYDAIWXBDY-UHFFFAOYSA-N 0 0 311.223 4.021 50 0 DIAARN CN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000040105495 183035742 /nfs/dbraw/zinc/03/57/42/183035742.db2.gz FLYTWDPDAULBSA-UHFFFAOYSA-N 0 0 304.340 4.061 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)N1CCCCCC1 ZINC000040103648 183035755 /nfs/dbraw/zinc/03/57/55/183035755.db2.gz NJACCYQWYFZWJS-UHFFFAOYSA-N 0 0 311.223 4.165 50 0 DIAARN Cc1cc(C)cc(Oc2cc(CNC(=O)C(C)(C)C)ccn2)c1 ZINC000040107652 183036395 /nfs/dbraw/zinc/03/63/95/183036395.db2.gz FEQWBFCCAJEXON-UHFFFAOYSA-N 0 0 312.413 4.153 50 0 DIAARN O=C(Nc1nc(-c2ccco2)cs1)c1ccc(Cl)cc1F ZINC000040111396 183037424 /nfs/dbraw/zinc/03/74/24/183037424.db2.gz LWABXCZVCRNJIS-UHFFFAOYSA-N 0 0 322.748 4.448 50 0 DIAARN COCCCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000040123139 183038550 /nfs/dbraw/zinc/03/85/50/183038550.db2.gz HHBJTSAAZDQRFX-UHFFFAOYSA-N 0 0 318.442 4.100 50 0 DIAARN C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1cccc(F)c1 ZINC000040141180 183039079 /nfs/dbraw/zinc/03/90/79/183039079.db2.gz PUGIXYHJZMCQSO-KBPBESRZSA-N 0 0 317.429 4.325 50 0 DIAARN Cc1ccc2nc(/C(Cl)=C/c3ccc(C)c(C)c3)cc(=O)n2c1 ZINC000040139790 183039174 /nfs/dbraw/zinc/03/91/74/183039174.db2.gz XUQWDYVEUUXXFH-SXGWCWSVSA-N 0 0 324.811 4.357 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2cccs2)o1 ZINC000040139477 183039451 /nfs/dbraw/zinc/03/94/51/183039451.db2.gz DDGLXBSMVNCDAR-OLZOCXBDSA-N 0 0 304.415 4.257 50 0 DIAARN O=C(c1ccc2ccccc2n1)N1CCCCc2ccccc21 ZINC000040133979 183039467 /nfs/dbraw/zinc/03/94/67/183039467.db2.gz ZOECUCNPKTYBLK-UHFFFAOYSA-N 0 0 302.377 4.218 50 0 DIAARN C/C(=C\c1c[nH]c2ccccc12)c1noc(-c2ccccc2O)n1 ZINC000040285290 183051337 /nfs/dbraw/zinc/05/13/37/183051337.db2.gz KBUCNAGGERJHPH-ZRDIBKRKSA-N 0 0 317.348 4.484 50 0 DIAARN CSc1ccc(C=C(C)c2n[nH]c(-c3ccccc3O)n2)cc1 ZINC000040287446 183051924 /nfs/dbraw/zinc/05/19/24/183051924.db2.gz KIXUFHOWKTWXEC-VAWYXSNFSA-N 0 0 323.421 4.460 50 0 DIAARN c1csc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040460673 183069753 /nfs/dbraw/zinc/06/97/53/183069753.db2.gz YPHZNAAIBIVDRG-CQSZACIVSA-N 0 0 311.410 4.135 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040525640 183092201 /nfs/dbraw/zinc/09/22/01/183092201.db2.gz ZENNGUDCWVZVFC-SNVBAGLBSA-N 0 0 320.742 4.455 50 0 DIAARN CCN(C(=O)Nc1ccccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000040556387 183102354 /nfs/dbraw/zinc/10/23/54/183102354.db2.gz QESRAJAOVRIZPJ-ZDUSSCGKSA-N 0 0 314.385 4.016 50 0 DIAARN C[C@@H](O)c1cccc(Nc2nc3ccccc3c(NC3CC3)n2)c1 ZINC000041149589 183178086 /nfs/dbraw/zinc/17/80/86/183178086.db2.gz ITEVDVYUTXUXNG-GFCCVEGCSA-N 0 0 320.396 4.001 50 0 DIAARN C[C@@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000041155646 183178643 /nfs/dbraw/zinc/17/86/43/183178643.db2.gz RCCMYQTUGCNIJD-NSHDSACASA-N 0 0 324.207 4.191 50 0 DIAARN Fc1cccc(OCCOc2ccccc2Br)c1 ZINC000041546436 183201809 /nfs/dbraw/zinc/20/18/09/183201809.db2.gz XFDXDAPDZBLJLU-UHFFFAOYSA-N 0 0 311.150 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/nfs/dbraw/zinc/31/75/39/184317539.db2.gz JQAYIBPNCFNPHQ-UHFFFAOYSA-N 0 0 304.353 4.334 50 0 DIAARN O=C(c1cccc(Cl)c1)N1CCc2cc(-c3ccno3)ccc21 ZINC000065247320 184318077 /nfs/dbraw/zinc/31/80/77/184318077.db2.gz YSBIEZCVUANZIG-UHFFFAOYSA-N 0 0 324.767 4.198 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)Cc1cccc(O)c1 ZINC000065371219 184330278 /nfs/dbraw/zinc/33/02/78/184330278.db2.gz XASAZZUFEFWLFX-UHFFFAOYSA-N 0 0 309.365 4.027 50 0 DIAARN CCN(C(=O)c1ccc2oc(C)cc2c1)[C@@H]1CCOC(C)(C)C1 ZINC000065373155 184330645 /nfs/dbraw/zinc/33/06/45/184330645.db2.gz YFKCWSBTTUIGQU-MRXNPFEDSA-N 0 0 315.413 4.161 50 0 DIAARN CCC1=NO[C@H](Cn2cnc(-c3ccccc3)c2-c2ccco2)C1 ZINC000065375067 184331185 /nfs/dbraw/zinc/33/11/85/184331185.db2.gz COLDZMMUXFMXHD-INIZCTEOSA-N 0 0 321.380 4.365 50 0 DIAARN c1csc(CCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)c1 ZINC000065380353 184331930 /nfs/dbraw/zinc/33/19/30/184331930.db2.gz RIJZGVSFNQKCCW-INIZCTEOSA-N 0 0 324.449 4.358 50 0 DIAARN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2c(C)cccc2Cl)C1 ZINC000065383367 184332549 /nfs/dbraw/zinc/33/25/49/184332549.db2.gz IPVULJYHNYJKEI-BMFZPTHFSA-N 0 0 309.837 4.029 50 0 DIAARN CCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000065462860 184349117 /nfs/dbraw/zinc/34/91/17/184349117.db2.gz JEYAPLGRDCXROK-ZDUSSCGKSA-N 0 0 313.363 4.287 50 0 DIAARN CCOc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C)s2)cc1 ZINC000065403680 184337283 /nfs/dbraw/zinc/33/72/83/184337283.db2.gz ZQVABWAVJZTXIR-UHFFFAOYSA-N 0 0 318.442 4.046 50 0 DIAARN CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2c(C)ccc3ccccc32)O1 ZINC000065405147 184338046 /nfs/dbraw/zinc/33/80/46/184338046.db2.gz HBUYWGXZZWXLHR-AOIWGVFYSA-N 0 0 311.425 4.283 50 0 DIAARN CC/C=C\CCc1c(-c2ccccc2)ncn1Cc1nccn1C ZINC000065406205 184338596 /nfs/dbraw/zinc/33/85/96/184338596.db2.gz NLZOVHNFISUKQC-PLNGDYQASA-N 0 0 320.440 4.231 50 0 DIAARN CCCn1ncnc1[C@@H](C)n1cnc(-c2ccccc2)c1C1CC1 ZINC000065528456 184360343 /nfs/dbraw/zinc/36/03/43/184360343.db2.gz OGDZHLDTEZOXIV-CQSZACIVSA-N 0 0 321.428 4.038 50 0 DIAARN CCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc2onc(C)c2c1 ZINC000065530749 184361047 /nfs/dbraw/zinc/36/10/47/184361047.db2.gz FRAMNJFNMLVTOQ-MRXNPFEDSA-N 0 0 322.364 4.009 50 0 DIAARN CC/C=C(\C)[C@@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1 ZINC000065531762 184361705 /nfs/dbraw/zinc/36/17/05/184361705.db2.gz JDSKMKBJJBBNJD-OIQJVACTSA-N 0 0 309.413 4.022 50 0 DIAARN CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(OC)cc1 ZINC000065584768 184368582 /nfs/dbraw/zinc/36/85/82/184368582.db2.gz HZTHPKPUCVKJNT-KRWDZBQOSA-N 0 0 313.401 4.095 50 0 DIAARN CC[C@H](Nc1cc(C)c2ccc(Cl)cc2n1)c1nc(C)no1 ZINC000065504424 184355842 /nfs/dbraw/zinc/35/58/42/184355842.db2.gz AXXSUQUKNNMRMM-ZDUSSCGKSA-N 0 0 316.792 4.451 50 0 DIAARN Cc1nc2ccccc2c(SCCC(=O)Nc2ccccc2)n1 ZINC000065501972 184356398 /nfs/dbraw/zinc/35/63/98/184356398.db2.gz VPBRIDYNZMWIQS-UHFFFAOYSA-N 0 0 323.421 4.059 50 0 DIAARN COc1ccc(-c2cccc3cc4c(c(OC)c32)OCO4)cc1 ZINC000066091623 184388508 /nfs/dbraw/zinc/38/85/08/184388508.db2.gz FIVIIUPPEJHKPH-UHFFFAOYSA-N 0 0 308.333 4.253 50 0 DIAARN Cc1ccccc1NC(=O)CSCCCOc1ccccc1 ZINC000065626347 184375869 /nfs/dbraw/zinc/37/58/69/184375869.db2.gz INALUWWERUJZRO-UHFFFAOYSA-N 0 0 315.438 4.136 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(OCC2CC2)cc1 ZINC000065627416 184375908 /nfs/dbraw/zinc/37/59/08/184375908.db2.gz VUMQWXXJWTVOOO-UHFFFAOYSA-N 0 0 307.393 4.216 50 0 DIAARN O=C1CCCC[C@@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000065740115 184378196 /nfs/dbraw/zinc/37/81/96/184378196.db2.gz BPJYFURCEKLWFQ-HXUWFJFHSA-N 0 0 307.437 4.448 50 0 in-vitro DIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCCCC2)c1 ZINC000069454441 184516008 /nfs/dbraw/zinc/51/60/08/184516008.db2.gz RTVNYTKPMNUMLK-UHFFFAOYSA-N 0 0 323.824 4.096 50 0 DIAARN Cc1ccc(F)cc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000158753999 197299403 /nfs/dbraw/zinc/29/94/03/197299403.db2.gz FNLYEPAXTNNRDX-UHFFFAOYSA-N 0 0 306.340 4.448 50 0 DIAARN CCc1cc(=O)oc2c(C)c(OCc3ccc(OC)cc3)ccc12 ZINC000000457800 256512598 /nfs/dbraw/zinc/51/25/98/256512598.db2.gz VXVFFGMOEWNCLL-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN Cc1cc2occ(CC(=O)N[C@H]3CCc4ccccc43)c2cc1C ZINC000058157548 256538032 /nfs/dbraw/zinc/53/80/32/256538032.db2.gz UDOFPHQSJOEYFV-IBGZPJMESA-N 0 0 319.404 4.396 50 0 DIAARN O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 ZINC000060769366 256541384 /nfs/dbraw/zinc/54/13/84/256541384.db2.gz JBAILLBGIPQRQK-UHFFFAOYSA-N 0 0 315.177 4.095 50 0 DIAARN Cc1cccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c1 ZINC000065137122 256541832 /nfs/dbraw/zinc/54/18/32/256541832.db2.gz FEWCNFIZOUGPTG-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN Cc1n[nH]c(C)c1NC(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000378323357 257234990 /nfs/dbraw/zinc/23/49/90/257234990.db2.gz JVVRQLACPLXSPR-UHFFFAOYSA-N 0 0 321.384 4.041 50 0 DIAARN CN(C(=O)/C=C\c1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000096988797 257212089 /nfs/dbraw/zinc/21/20/89/257212089.db2.gz WWWKFECVECBIFZ-DVESRUBUSA-N 0 0 311.812 4.499 50 0 DIAARN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000274159175 257237889 /nfs/dbraw/zinc/23/78/89/257237889.db2.gz GIJVQTIUHWMHLZ-NWDGAFQWSA-N 0 0 301.459 4.137 50 0 DIAARN CCn1c(SCCC(F)=C(F)F)nnc1-c1ccco1 ZINC000521394942 257240861 /nfs/dbraw/zinc/24/08/61/257240861.db2.gz CJNYKLLQEVPWSW-UHFFFAOYSA-N 0 0 303.309 4.118 50 0 DIAARN Fc1cc2cccnc2c(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000426739699 257243475 /nfs/dbraw/zinc/24/34/75/257243475.db2.gz IBVOAMKSRQUAEB-UHFFFAOYSA-N 0 0 322.387 4.211 50 0 DIAARN CCCCN(Cc1cccc(Cl)c1)C(=O)NCCSC ZINC000426685279 257244007 /nfs/dbraw/zinc/24/40/07/257244007.db2.gz JZEBYCPZBQNLMB-UHFFFAOYSA-N 0 0 314.882 4.015 50 0 DIAARN CCCCOc1cc(F)ccc1-c1cncc(C(C)(C)O)c1 ZINC000426662063 257244390 /nfs/dbraw/zinc/24/43/90/257244390.db2.gz GUZMPDLFPPICGC-UHFFFAOYSA-N 0 0 303.377 4.294 50 0 DIAARN O=C(C[C@H]1CCCOC1)N(Cc1ccsc1)C1CCCCC1 ZINC000426620010 257244796 /nfs/dbraw/zinc/24/47/96/257244796.db2.gz JFVKPYSADFGSNB-OAHLLOKOSA-N 0 0 321.486 4.226 50 0 DIAARN CC(C)N(C(=O)c1ccccc1-c1cnn2ccccc12)C(C)C ZINC000426566893 257246731 /nfs/dbraw/zinc/24/67/31/257246731.db2.gz MJDRVUZPNOKLDO-UHFFFAOYSA-N 0 0 321.424 4.260 50 0 DIAARN CO[C@H](C)c1ccc(-c2nc3cc(C)ccc3cc2CO)cc1 ZINC000426552346 257247243 /nfs/dbraw/zinc/24/72/43/257247243.db2.gz OXBWNKNIFZFKFF-CQSZACIVSA-N 0 0 307.393 4.410 50 0 DIAARN CO[C@H](C)c1cccc(-c2ccc(C(=O)N3CCCCC3)o2)c1 ZINC000426490376 257248272 /nfs/dbraw/zinc/24/82/72/257248272.db2.gz BRWQLCDJXBREKP-CQSZACIVSA-N 0 0 313.397 4.280 50 0 DIAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCCC1CCCC1 ZINC000426488102 257249240 /nfs/dbraw/zinc/24/92/40/257249240.db2.gz CYJCELFHLUAUOG-UHFFFAOYSA-N 0 0 317.408 4.029 50 0 DIAARN O=c1[nH]ccc2ccc(-c3cc(OC(F)(F)F)ccc3O)cc12 ZINC000426477498 257249530 /nfs/dbraw/zinc/24/95/30/257249530.db2.gz CHCBGUMXRLZYGI-UHFFFAOYSA-N 0 0 321.254 4.212 50 0 DIAARN Cc1cc(Cl)ccc1N1C(=S)N=NC1c1ccccc1 ZINC000001263920 257254194 /nfs/dbraw/zinc/25/41/94/257254194.db2.gz ZVRDFRPKLJAANG-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)o1 ZINC000408521745 257254782 /nfs/dbraw/zinc/25/47/82/257254782.db2.gz SLWKXCUSKGLCSK-IAGOWNOFSA-N 0 0 312.413 4.090 50 0 DIAARN CCC(CC)n1ncc(C(=O)Nc2c(O)cccc2Cl)c1C ZINC000408518697 257255248 /nfs/dbraw/zinc/25/52/48/257255248.db2.gz VNZWSLBRPJQDJL-UHFFFAOYSA-N 0 0 321.808 4.164 50 0 DIAARN O=C(NCCCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000266577199 257257123 /nfs/dbraw/zinc/25/71/23/257257123.db2.gz USLPLIKOCGDJRD-UHFFFAOYSA-N 0 0 300.107 4.066 50 0 DIAARN CN(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000129299 257266441 /nfs/dbraw/zinc/26/64/41/257266441.db2.gz UKOTXFBQQFYGOI-KPKJPENVSA-N 0 0 300.789 4.058 50 0 DIAARN S=C(NCc1ccco1)Nc1ccc(Cl)cc1Cl ZINC000000452629 257266727 /nfs/dbraw/zinc/26/67/27/257266727.db2.gz KSXAHMHXIHFFQH-UHFFFAOYSA-N 0 0 301.198 4.073 50 0 DIAARN CC(=O)NCc1ccc(-c2nc(-c3cccs3)sc2C)o1 ZINC000014103064 257268572 /nfs/dbraw/zinc/26/85/72/257268572.db2.gz JSTCMUJKLUYPPY-UHFFFAOYSA-N 0 0 318.423 4.076 50 0 DIAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1 ZINC000071281889 257270290 /nfs/dbraw/zinc/27/02/90/257270290.db2.gz AJSBEUNBSPDQMF-OAHLLOKOSA-N 0 0 313.401 4.375 50 0 DIAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000089522673 257271563 /nfs/dbraw/zinc/27/15/63/257271563.db2.gz PEZAAVONMWCGRI-CQSZACIVSA-N 0 0 318.808 4.049 50 0 DIAARN Cc1csc([C@@H](C)NC(=O)Nc2cccc(C(F)F)c2)n1 ZINC000069680771 184836043 /nfs/dbraw/zinc/83/60/43/184836043.db2.gz JDQUFUPYBYEZEJ-SECBINFHSA-N 0 0 311.357 4.272 50 0 DIAARN COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](CO)[C@@]3(C)CC[C@H]21 ZINC000071772830 184840608 /nfs/dbraw/zinc/84/06/08/184840608.db2.gz FSKRAXFONXVCRH-JIKAWYKTSA-N 0 0 300.442 4.160 50 0 DIAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1 ZINC000001002577 134442193 /nfs/dbraw/zinc/44/21/93/134442193.db2.gz UAWTYMGAAAAAJM-INIZCTEOSA-N 0 0 309.409 4.050 50 0 DIAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc2ncccc2c1 ZINC000002476285 134449930 /nfs/dbraw/zinc/44/99/30/134449930.db2.gz AQTWMUUOCRXCPX-UHFFFAOYSA-N 0 0 324.339 4.189 50 0 aggregator DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)C[C@@H](C)O2 ZINC000006842691 134479478 /nfs/dbraw/zinc/47/94/78/134479478.db2.gz LROUZRFOFCIOQR-GFCCVEGCSA-N 0 0 316.788 4.468 50 0 DIAARN Cc1ccsc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012528296 134507068 /nfs/dbraw/zinc/50/70/68/134507068.db2.gz KJBYAOMQVWVHGE-UHFFFAOYSA-N 0 0 300.427 4.299 50 0 DIAARN C[C@H]1CCc2ccccc2N1Cc1nc(-c2cccs2)no1 ZINC000021581591 134651838 /nfs/dbraw/zinc/65/18/38/134651838.db2.gz KJOALMACBACRSU-LBPRGKRZSA-N 0 0 311.410 4.139 50 0 DIAARN Cc1ccc(Cl)c(Oc2cc(N3CCCCC3)ncn2)c1 ZINC000037377086 134700903 /nfs/dbraw/zinc/70/09/03/134700903.db2.gz GEIQSNSZVSSNAR-UHFFFAOYSA-N 0 0 303.793 4.221 50 0 DIAARN C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000041155827 134725075 /nfs/dbraw/zinc/72/50/75/134725075.db2.gz LCAXNOJYZSSGKV-AWEZNQCLSA-N 0 0 309.409 4.412 50 0 DIAARN Cc1cccc(N2CCN(Cc3ccccc3Cl)CC2)c1C ZINC000055544014 134777567 /nfs/dbraw/zinc/77/75/67/134777567.db2.gz PHABOMYZNCBNPZ-UHFFFAOYSA-N 0 0 314.860 4.279 50 0 DIAARN COc1ccc(-c2cccc(C(=O)OCc3ccco3)c2)cc1 ZINC000000466622 262529930 /nfs/dbraw/zinc/52/99/30/262529930.db2.gz OYZBPXSYQVFOLN-UHFFFAOYSA-N 0 0 308.333 4.312 50 0 DIAARN Cc1cc(CCCC(=O)Nc2cccc3c[nH]nc32)c(C)s1 ZINC000409418119 332838954 /nfs/dbraw/zinc/83/89/54/332838954.db2.gz TWVKSKGPVIAYII-UHFFFAOYSA-N 0 0 313.426 4.203 50 0 DIAARN O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000059757 331458951 /nfs/dbraw/zinc/45/89/51/331458951.db2.gz LJXCXQADFNOJJD-UHFFFAOYSA-N 0 0 317.344 4.158 50 0 DIAARN CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000000452827 331462700 /nfs/dbraw/zinc/46/27/00/331462700.db2.gz BVBJWXKMRLFBFL-UHFFFAOYSA-N 0 0 306.365 4.024 50 0 DIAARN C[C@@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccco1 ZINC000003396103 331480254 /nfs/dbraw/zinc/48/02/54/331480254.db2.gz SZCSQRNLGQNNJY-CYBMUJFWSA-N 0 0 311.406 4.230 50 0 DIAARN O=C(Cc1coc2cc3c(cc12)CCC3)N1CCc2ccccc21 ZINC000003524956 331481007 /nfs/dbraw/zinc/48/10/07/331481007.db2.gz VQPSSKUHARHATC-UHFFFAOYSA-N 0 0 317.388 4.053 50 0 DIAARN COc1cc(/C=C/c2ccc3ccccc3n2)cc(OC)c1OC ZINC000004621972 331486698 /nfs/dbraw/zinc/48/66/98/331486698.db2.gz UGISBUIBIFLVGO-CSKARUKUSA-N 0 0 321.376 4.431 50 0 DIAARN Cc1ccc(NC(=O)N(C)CCOc2cccc(Cl)c2)cc1 ZINC000014196828 331548972 /nfs/dbraw/zinc/54/89/72/331548972.db2.gz XRECUNODDXJSPY-UHFFFAOYSA-N 0 0 318.804 4.191 50 0 DIAARN CCN(C(=O)Nc1cccnc1-c1ccc(C)s1)C1CC1 ZINC000189461296 333089841 /nfs/dbraw/zinc/08/98/41/333089841.db2.gz ADNVUSNDNWEING-UHFFFAOYSA-N 0 0 301.415 4.135 50 0 DIAARN CC(C)C[C@H](NC(=O)c1[nH]nc2ccccc21)c1ccccc1 ZINC000012730527 333116005 /nfs/dbraw/zinc/11/60/05/333116005.db2.gz OEYZXKUCFXBSMT-KRWDZBQOSA-N 0 0 307.397 4.080 50 0 DIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccccc2F)c1 ZINC000020540052 333357873 /nfs/dbraw/zinc/35/78/73/333357873.db2.gz PDROWEQWBZRABH-CYBMUJFWSA-N 0 0 316.376 4.496 50 0 DIAARN Cc1nc2c(cccc2OCc2noc(C3CCCCC3)n2)o1 ZINC000276492082 334079921 /nfs/dbraw/zinc/07/99/21/334079921.db2.gz VFRXIZIEWZGSKD-UHFFFAOYSA-N 0 0 313.357 4.146 50 0 DIAARN C[C@H](c1cccc(-c2cccc(F)c2C(=O)[O-])c1)[NH+]1CCCC1 ZINC000534649431 334317143 /nfs/dbraw/zinc/31/71/43/334317143.db2.gz VASRSXFBZLYARE-CYBMUJFWSA-N 0 0 313.372 4.348 50 0 DIAARN COC(=O)c1cc(-c2ccccc2)nc(-c2ccc(OC)cc2)c1 ZINC000328578945 533714170 /nfs/dbraw/zinc/71/41/70/533714170.db2.gz AOXRAVSJOBCANT-UHFFFAOYSA-N 0 0 319.360 4.211 50 0 DIAARN C[C@H]1C[C@@H](C(=O)N2CCC(OC3CCC3)CC2)CC(C)(C)C1 ZINC000416254464 334657586 /nfs/dbraw/zinc/65/75/86/334657586.db2.gz BGWSWRHDQRFDOD-LSDHHAIUSA-N 0 0 307.478 4.009 50 0 DIAARN N=c1oc2ccccc2cc1C(=O)Nc1ccc2ccccc2c1 ZINC000072408173 334882667 /nfs/dbraw/zinc/88/26/67/334882667.db2.gz JNTADFNONGLZGG-UHFFFAOYSA-N 0 0 314.344 4.318 50 0 DIAARN Cc1nsc(C)c1-c1noc([C@@H]2C[C@]23CCc2ccccc23)n1 ZINC000330239315 336128217 /nfs/dbraw/zinc/12/82/17/336128217.db2.gz VLZMUCSDIXWFPI-KSSFIOAISA-N 0 0 323.421 4.181 50 0 DIAARN Cc1cnc([C@@H](C)NC(=O)c2oc3c(c2C)c(C)ccc3C)o1 ZINC000331845734 336150600 /nfs/dbraw/zinc/15/06/00/336150600.db2.gz UHRZHEOYMBPZDA-CYBMUJFWSA-N 0 0 312.369 4.145 50 0 DIAARN O=C1CCCCCCCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000000402230 336220178 /nfs/dbraw/zinc/22/01/78/336220178.db2.gz OZGAIOPEJVJLQE-SFHVURJKSA-N 0 0 322.470 4.313 50 0 DIAARN CC(C)=C1CC[C@](C)(COC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000216506101 336224853 /nfs/dbraw/zinc/22/48/53/336224853.db2.gz IUYXPHCGNUPIQJ-RYGJVYDSSA-N 0 0 318.457 4.452 50 0 DIAARN Cc1cccc([C@@H]2CCCN2C(=O)Cc2coc3ccccc23)n1 ZINC000376061333 337026042 /nfs/dbraw/zinc/02/60/42/337026042.db2.gz GYRZEZAHUQSOGH-SFHVURJKSA-N 0 0 320.392 4.042 50 0 DIAARN CC(C)c1ccc(Cc2noc([C@@H]3CC34CCOCC4)n2)cc1 ZINC000377445004 337052698 /nfs/dbraw/zinc/05/26/98/337052698.db2.gz FTLPDXWBSDOJNP-INIZCTEOSA-N 0 0 312.413 4.068 50 0 DIAARN CC(C)c1ccc(Cc2noc([C@H]3CC34CCOCC4)n2)cc1 ZINC000377445005 337052716 /nfs/dbraw/zinc/05/27/16/337052716.db2.gz FTLPDXWBSDOJNP-MRXNPFEDSA-N 0 0 312.413 4.068 50 0 DIAARN Cc1nc(C(=O)Nc2sccc2C(=O)C(C)(C)C)c(C)s1 ZINC000179271022 337168524 /nfs/dbraw/zinc/16/85/24/337168524.db2.gz SYOOJWMHNCJSBM-UHFFFAOYSA-N 0 0 322.455 4.303 50 0 DIAARN Cc1c2ccccc2oc1CNC(=O)N(C)[C@H](C)c1cccnc1 ZINC000096406877 337381801 /nfs/dbraw/zinc/38/18/01/337381801.db2.gz QSJKPCZLNRTFFL-CQSZACIVSA-N 0 0 323.396 4.039 50 0 DIAARN C[C@H](CNc1ccccc1N1CCC(CO)CC1)c1ccccc1 ZINC000194579873 338570082 /nfs/dbraw/zinc/57/00/82/338570082.db2.gz RWPSSXVTZQEBOG-QGZVFWFLSA-N 0 0 324.468 4.111 50 0 DIAARN C[C@@H](CNc1ccccc1N1CCC(CO)CC1)c1ccccc1 ZINC000194579859 338570221 /nfs/dbraw/zinc/57/02/21/338570221.db2.gz RWPSSXVTZQEBOG-KRWDZBQOSA-N 0 0 324.468 4.111 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000501283774 340077959 /nfs/dbraw/zinc/07/79/59/340077959.db2.gz MOKCGLSYGDCCEO-CYBMUJFWSA-N 0 0 303.471 4.123 50 0 DIAARN CCCOc1ccc(NC(=O)c2cc(C(C)C)no2)cc1Cl ZINC000504766789 340152275 /nfs/dbraw/zinc/15/22/75/340152275.db2.gz WUOYBLBQQQQYHZ-UHFFFAOYSA-N 0 0 322.792 4.493 50 0 DIAARN CC[C@@](C)(NC(=O)c1cccc(Cl)c1C)c1nc(C)cs1 ZINC000192601428 340567968 /nfs/dbraw/zinc/56/79/68/340567968.db2.gz LGIYYZHUZGMAGA-MRXNPFEDSA-N 0 0 322.861 4.469 50 0 DIAARN Cc1nnc([C@@H](C)Sc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000194582518 340593651 /nfs/dbraw/zinc/59/36/51/340593651.db2.gz SGJLISFENHILLI-RXMQYKEDSA-N 0 0 323.727 4.299 50 0 DIAARN CCOC(=O)/C=C/c1c(-c2ccc(C)cc2)nc2cc(C)ccn21 ZINC000071405447 340704196 /nfs/dbraw/zinc/70/41/96/340704196.db2.gz UWJOCKIQZMTJGY-MDZDMXLPSA-N 0 0 320.392 4.194 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)c3oc(C)nc3C)n2)s1 ZINC000073489616 341117334 /nfs/dbraw/zinc/11/73/34/341117334.db2.gz ZRDHGXLIKWASIT-UHFFFAOYSA-N 0 0 319.411 4.037 50 0 DIAARN O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)C1CC1 ZINC000095959115 518200955 /nfs/dbraw/zinc/20/09/55/518200955.db2.gz UAZVVGNGYJSOFK-UHFFFAOYSA-N 0 0 304.349 4.376 50 0 DIAARN CC(C)c1cnc(NC(=O)N2CCC(C(F)(F)F)CC2)s1 ZINC000192394500 519851765 /nfs/dbraw/zinc/85/17/65/519851765.db2.gz KTGNDVMFOISFRB-UHFFFAOYSA-N 0 0 321.368 4.073 50 0 DIAARN CCC(CC)n1ccc(C(=O)Nc2cc(OC)ccc2Cl)n1 ZINC000269324016 521638978 /nfs/dbraw/zinc/63/89/78/521638978.db2.gz RSVIWKJHNXRSDD-UHFFFAOYSA-N 0 0 321.808 4.159 50 0 DIAARN C[C@@H](CCC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 ZINC000127777476 524438722 /nfs/dbraw/zinc/43/87/22/524438722.db2.gz RBYFZBMRAYHDEY-INIZCTEOSA-N 0 0 308.425 4.157 50 0 DIAARN Fc1ccc(-c2ccc(-c3ccc(-c4cc[nH]n4)cc3)nn2)cc1 ZINC000214951732 526313076 /nfs/dbraw/zinc/31/30/76/526313076.db2.gz DBTZXKRCFGMIRD-UHFFFAOYSA-N 0 0 316.339 4.340 50 0 DIAARN CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(C)cc1 ZINC000328597475 526685446 /nfs/dbraw/zinc/68/54/46/526685446.db2.gz HRILPQAVOKQQTA-SFHVURJKSA-N 0 0 312.800 4.346 50 0 DIAARN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000328596091 528878476 /nfs/dbraw/zinc/87/84/76/528878476.db2.gz RZPHCYZYYSXMID-OAHLLOKOSA-N 0 0 324.827 4.056 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)NCCCC[C@H]1CCCO1 ZINC000097636539 563541107 /nfs/dbraw/zinc/54/11/07/563541107.db2.gz VBYBQFKRKXFGEJ-AWEZNQCLSA-N 0 0 310.825 4.119 50 0 DIAARN Cc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000000121570 563627683 /nfs/dbraw/zinc/62/76/83/563627683.db2.gz OWVDJTIMJFVECX-UHFFFAOYSA-N 0 0 311.328 4.384 50 0 DIAARN CC(C)c1ncc(C(=O)N2CCCC[C@H]3CCCC[C@H]32)s1 ZINC000242389386 563778369 /nfs/dbraw/zinc/77/83/69/563778369.db2.gz ZWRREJQCJQBONZ-ZIAGYGMSSA-N 0 0 306.475 4.451 50 0 DIAARN CC(C)Cc1noc(CN(C)[C@H](C)c2ccccc2Cl)n1 ZINC000052162661 563785506 /nfs/dbraw/zinc/78/55/06/563785506.db2.gz CFFLMLBJRMWOIY-GFCCVEGCSA-N 0 0 307.825 4.115 50 0 DIAARN Cc1cccc(C[S@@](=O)Cc2cccc(OC(F)F)c2)c1 ZINC000078555986 563808438 /nfs/dbraw/zinc/80/84/38/563808438.db2.gz XUSQICIFBZLLBF-NRFANRHFSA-N 0 0 310.365 4.045 50 0 DIAARN Cc1nc(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)n[nH]1 ZINC000084853125 563831475 /nfs/dbraw/zinc/83/14/75/563831475.db2.gz JRFRPYVXFSNCSV-UHFFFAOYSA-N 0 0 320.805 4.022 50 0 DIAARN O=C(N[C@@H](c1ccsc1)c1cccs1)[C@H]1CC=CCC1 ZINC000575414677 563856673 /nfs/dbraw/zinc/85/66/73/563856673.db2.gz IJMGLNFIARXHNR-WFASDCNBSA-N 0 0 303.452 4.372 50 0 DIAARN CN(C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)C1CCCCCC1 ZINC000170631347 563908921 /nfs/dbraw/zinc/90/89/21/563908921.db2.gz GGLIQAFVDOZMCE-WBVHZDCISA-N 0 0 324.509 4.192 50 0 DIAARN Cc1ccc(OCC(=O)OCc2ccc(Cl)cc2)cc1C ZINC000000150909 563912688 /nfs/dbraw/zinc/91/26/88/563912688.db2.gz RHLNRFFWIUNMHQ-UHFFFAOYSA-N 0 0 304.773 4.079 50 0 DIAARN Cc1ccc(CC(=O)N(CC(F)(F)F)c2ccccc2)s1 ZINC000095960143 563932587 /nfs/dbraw/zinc/93/25/87/563932587.db2.gz PINPHADGEYYSHN-UHFFFAOYSA-N 0 0 313.344 4.195 50 0 DIAARN O=C(NC1CCCC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211384 563954218 /nfs/dbraw/zinc/95/42/18/563954218.db2.gz VWRJYLVHALOEFQ-UHFFFAOYSA-N 0 0 319.495 4.273 50 0 DIAARN Cc1csc(NC(=O)c2sc(-c3cccs3)nc2C)n1 ZINC000009315916 563954997 /nfs/dbraw/zinc/95/49/97/563954997.db2.gz UUZNRFBUXMNFCK-UHFFFAOYSA-N 0 0 321.452 4.197 50 0 DIAARN O=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000000072778 563213633 /nfs/dbraw/zinc/21/36/33/563213633.db2.gz HGSLURSUZKFJKZ-UHFFFAOYSA-N 0 0 309.148 4.033 50 0 DIAARN C[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000000127434 563221127 /nfs/dbraw/zinc/22/11/27/563221127.db2.gz XUAYVVKGMFDGJE-VIFPVBQESA-N 0 0 320.845 4.361 50 0 DIAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000210830 563230789 /nfs/dbraw/zinc/23/07/89/563230789.db2.gz PRSUHMWHMFDRDZ-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN O=C(Nc1nc2c(cccc2Cl)s1)c1cccnc1Cl ZINC000000382832 563248188 /nfs/dbraw/zinc/24/81/88/563248188.db2.gz JIDVEHZNZYMXKO-UHFFFAOYSA-N 0 0 324.192 4.250 50 0 DIAARN C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000000454384 563257449 /nfs/dbraw/zinc/25/74/49/563257449.db2.gz HMSJJYGKTFPOKM-CYBMUJFWSA-N 0 0 319.857 4.278 50 0 DIAARN CCC(CC)c1nnc(NC(=O)c2cccc(Cl)c2)s1 ZINC000000804638 563271701 /nfs/dbraw/zinc/27/17/01/563271701.db2.gz DFSNLHAJBWAIQL-UHFFFAOYSA-N 0 0 309.822 4.347 50 0 DIAARN O=C(CCc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000002516764 563306792 /nfs/dbraw/zinc/30/67/92/563306792.db2.gz QKWBZXRHYHGLHX-UHFFFAOYSA-N 0 0 307.162 4.404 50 0 DIAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Cl ZINC000008723212 563349598 /nfs/dbraw/zinc/34/95/98/563349598.db2.gz JKYRNHOOJRJXCX-INIZCTEOSA-N 0 0 303.789 4.445 50 0 DIAARN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1nccs1 ZINC000009867764 563354303 /nfs/dbraw/zinc/35/43/03/563354303.db2.gz FPDPYOWVXBFXKQ-NWDGAFQWSA-N 0 0 304.415 4.063 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000013324153 563380908 /nfs/dbraw/zinc/38/09/08/563380908.db2.gz ILPVGGFIALCHIK-UHFFFAOYSA-N 0 0 312.703 4.271 50 0 DIAARN O=C(NC1CCCCCCC1)c1csc(-c2ccco2)n1 ZINC000029518858 563434161 /nfs/dbraw/zinc/43/41/61/563434161.db2.gz JZUSLBYXLIDMSK-UHFFFAOYSA-N 0 0 304.415 4.246 50 0 DIAARN CCCCC(=O)Nc1cc2sc(NC(=O)CC)nc2c(C)c1 ZINC000032961330 563446404 /nfs/dbraw/zinc/44/64/04/563446404.db2.gz OIMOUKKWJCBOLF-UHFFFAOYSA-N 0 0 319.430 4.082 50 0 DIAARN C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 ZINC000096478897 563484642 /nfs/dbraw/zinc/48/46/42/563484642.db2.gz QOBIWRZHAAGKPX-BXUZGUMPSA-N 0 0 314.376 4.010 50 0 DIAARN COc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000000038511 563211546 /nfs/dbraw/zinc/21/15/46/563211546.db2.gz SAIVTVARMCZLCL-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN Brc1c(-c2ccccc2)nc2n1Cc1ccccc1-2 ZINC000000048366 563211842 /nfs/dbraw/zinc/21/18/42/563211842.db2.gz XJRZJTDNCJPTKZ-UHFFFAOYSA-N 0 0 311.182 4.341 50 0 DIAARN CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000000030056 563211228 /nfs/dbraw/zinc/21/12/28/563211228.db2.gz FFRXPWTVZBETIG-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN O=c1c2ccccc2ncn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000035091 563211186 /nfs/dbraw/zinc/21/11/86/563211186.db2.gz XMXWNKYLFXBBLH-UHFFFAOYSA-N 0 0 324.689 4.058 50 0 DIAARN CC1(C)C(=O)O[C@@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O ZINC000000034816 563211255 /nfs/dbraw/zinc/21/12/55/563211255.db2.gz HUDUDZSTVFEACU-NSHDSACASA-N 0 0 315.196 4.213 50 0 DIAARN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC000000035983 563211295 /nfs/dbraw/zinc/21/12/95/563211295.db2.gz CDPPLUXLEPLBEO-SMDDNHRTSA-N 0 0 324.262 4.394 50 0 DIAARN CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(O)cc21 ZINC000000036667 563211303 /nfs/dbraw/zinc/21/13/03/563211303.db2.gz CXEMQLWMAUFGHN-UHFFFAOYSA-N 0 0 301.386 4.337 50 0 biogenic DIAARN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC000000035986 563211310 /nfs/dbraw/zinc/21/13/10/563211310.db2.gz CDPPLUXLEPLBEO-RISCZKNCSA-N 0 0 324.262 4.394 50 0 DIAARN COc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000000037674 563211362 /nfs/dbraw/zinc/21/13/62/563211362.db2.gz BQVIHHJCRSSPKT-NSHDSACASA-N 0 0 321.829 4.468 50 0 DIAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC)cc21 ZINC000000036620 563211368 /nfs/dbraw/zinc/21/13/68/563211368.db2.gz QJUANFLACZTKLM-UHFFFAOYSA-N 0 0 309.365 4.124 50 0 DIAARN COc1ccccc1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000038439 563211519 /nfs/dbraw/zinc/21/15/19/563211519.db2.gz LSFZZWRTRCMTKV-UHFFFAOYSA-N 0 0 318.372 4.433 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1C ZINC000000043961 563211670 /nfs/dbraw/zinc/21/16/70/563211670.db2.gz XIBAJOKIRMEYPU-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN Cc1ccc(OC(=O)/C=C/c2ccccc2)c(Br)c1 ZINC000000045893 563211742 /nfs/dbraw/zinc/21/17/42/563211742.db2.gz WARQDHRJZQJNLA-CSKARUKUSA-N 0 0 317.182 4.376 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(F)(F)F ZINC000000053009 563211990 /nfs/dbraw/zinc/21/19/90/563211990.db2.gz YJRNLSYFJPRKEE-UHFFFAOYSA-N 0 0 322.311 4.464 50 0 DIAARN COc1ccc2oc(=O)c(-c3nc4ccccc4s3)cc2c1 ZINC000000057946 563212204 /nfs/dbraw/zinc/21/22/04/563212204.db2.gz HKOKDCKQIDYUFY-UHFFFAOYSA-N 0 0 309.346 4.078 50 0 DIAARN c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccccc2)cc1 ZINC000000057718 563212253 /nfs/dbraw/zinc/21/22/53/563212253.db2.gz OTMYLOBWDNFTLO-UHFFFAOYSA-N 0 0 310.360 4.268 50 0 DIAARN Cc1cc(=O)oc2cc(OC(=O)c3cc4ccccc4o3)ccc12 ZINC000000062430 563212488 /nfs/dbraw/zinc/21/24/88/563212488.db2.gz DIRMOOMFSYOMPX-UHFFFAOYSA-N 0 0 320.300 4.067 50 0 biogenic DIAARN COc1cc2cccnc2c(NC(=O)c2ccccc2Cl)c1 ZINC000000067031 563212732 /nfs/dbraw/zinc/21/27/32/563212732.db2.gz BAVKFZHBWCVKJX-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)cc1F ZINC000000073877 563213238 /nfs/dbraw/zinc/21/32/38/563213238.db2.gz VEUGDOWMTMUBCQ-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN CCN(C(=O)c1cnccc1C(F)(F)F)c1c(C)cccc1C ZINC000000077747 563213880 /nfs/dbraw/zinc/21/38/80/563213880.db2.gz NNLJLGCBYGIFLJ-UHFFFAOYSA-N 0 0 322.330 4.384 50 0 DIAARN O=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000000078056 563214020 /nfs/dbraw/zinc/21/40/20/563214020.db2.gz BQCRUIDKXQZWMN-UHFFFAOYSA-N 0 0 314.182 4.265 50 0 DIAARN c1nn(-c2ccccc2)c2ncnc(SC3CCCCC3)c12 ZINC000000082073 563214513 /nfs/dbraw/zinc/21/45/13/563214513.db2.gz YRXBEJKDFORDAB-UHFFFAOYSA-N 0 0 310.426 4.240 50 0 DIAARN O=C1Nc2ccc(Br)cc2/C1=C/c1cccs1 ZINC000000086922 563215234 /nfs/dbraw/zinc/21/52/34/563215234.db2.gz ZABODDMEJCUFKR-XFFZJAGNSA-N 0 0 306.184 4.003 50 0 DIAARN CC1=C(OC(=O)C(C)(C)C)C(C)(C)[C@@H](c2ccccc2)OC1=O ZINC000000087350 563215321 /nfs/dbraw/zinc/21/53/21/563215321.db2.gz MWPGVKRNZSBZPI-OAHLLOKOSA-N 0 0 316.397 4.174 50 0 DIAARN CCOC(=O)c1cnc2ccccc2c1Nc1cccc(C)c1 ZINC000000098357 563216455 /nfs/dbraw/zinc/21/64/55/563216455.db2.gz SJPVRYWSSFXIQJ-UHFFFAOYSA-N 0 0 306.365 4.464 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1ccccc1Br ZINC000000101478 563217105 /nfs/dbraw/zinc/21/71/05/563217105.db2.gz FONQPWFYFWAITH-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN COC(=O)c1c2c(sc1-n1c(C)ccc1C)CCCCC2 ZINC000000102736 563217453 /nfs/dbraw/zinc/21/74/53/563217453.db2.gz VZZVZPBYSZZWRY-UHFFFAOYSA-N 0 0 303.427 4.211 50 0 DIAARN COc1cccc(N2COc3cc(C)c(Cl)c(C)c3C2)c1 ZINC000000104633 563217636 /nfs/dbraw/zinc/21/76/36/563217636.db2.gz RKCVVZNQUKQCEJ-UHFFFAOYSA-N 0 0 303.789 4.322 50 0 DIAARN Cc1ccc2[nH]c(=S)n(-c3cc(Cl)ccc3C)c(=O)c2c1 ZINC000000103062 563217666 /nfs/dbraw/zinc/21/76/66/563217666.db2.gz BBNBOBNLGFJJDD-UHFFFAOYSA-N 0 0 316.813 4.319 50 0 DIAARN Nc1c(Cl)cc(-c2noc(-c3cccs3)n2)cc1Cl ZINC000000109459 563218499 /nfs/dbraw/zinc/21/84/99/563218499.db2.gz ALWGSUVHWRMHHW-UHFFFAOYSA-N 0 0 312.181 4.354 50 0 DIAARN O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1ccco1 ZINC000000109255 563218700 /nfs/dbraw/zinc/21/87/00/563218700.db2.gz HDOJZBAFRYGRNA-UHFFFAOYSA-N 0 0 305.639 4.084 50 0 DIAARN O=C(CCSc1nc2ccccc2s1)NC1CCCCC1 ZINC000000110196 563218805 /nfs/dbraw/zinc/21/88/05/563218805.db2.gz KHINPAJKWUCLCU-UHFFFAOYSA-N 0 0 320.483 4.227 50 0 DIAARN O=C(Nc1ccccc1)O[C@@H](Cc1ccccc1)C(F)(F)F ZINC000000109409 563218942 /nfs/dbraw/zinc/21/89/42/563218942.db2.gz PXVKTDIVWPZIKC-AWEZNQCLSA-N 0 0 309.287 4.409 50 0 DIAARN COC(=O)c1c(N)scc1-c1ccc(Cl)cc1Cl ZINC000000115323 563219271 /nfs/dbraw/zinc/21/92/71/563219271.db2.gz GIOFCQOUWOEQFQ-UHFFFAOYSA-N 0 0 302.182 4.091 50 0 DIAARN CC(C)[C@H]1O[C@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C ZINC000000117990 563219772 /nfs/dbraw/zinc/21/97/72/563219772.db2.gz DEVCZLMVNZTDTN-SJLPKXTDSA-N 0 0 317.429 4.131 50 0 DIAARN Cc1cc(C)nc(SCC(=O)c2cccc3ccccc32)n1 ZINC000000119229 563219830 /nfs/dbraw/zinc/21/98/30/563219830.db2.gz DFVUUIZOTAKOHP-UHFFFAOYSA-N 0 0 308.406 4.222 50 0 DIAARN Cc1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1C ZINC000000119372 563220034 /nfs/dbraw/zinc/22/00/34/563220034.db2.gz NACXMBPTPBZQHY-UHFFFAOYSA-N 0 0 312.376 4.371 50 0 DIAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1 ZINC000000122443 563220609 /nfs/dbraw/zinc/22/06/09/563220609.db2.gz BEYPRDRIWNKJAW-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN COc1ccc(OC)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000128562 563221231 /nfs/dbraw/zinc/22/12/31/563221231.db2.gz YOAXPZIHOQPROA-UHFFFAOYSA-N 0 0 313.397 4.254 50 0 DIAARN Cc1cccc(-c2nc3sc4c(c3c(=O)o2)CCCCC4)c1 ZINC000000130319 563221682 /nfs/dbraw/zinc/22/16/82/563221682.db2.gz QWEIJOXSWGAPCM-UHFFFAOYSA-N 0 0 311.406 4.494 50 0 DIAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000000130147 563221832 /nfs/dbraw/zinc/22/18/32/563221832.db2.gz UBGYHBYLTQHPNX-UHFFFAOYSA-N 0 0 316.360 4.191 50 0 DIAARN CCCN(CCC)C(=O)c1cccc2c1-c1ccccc1C2=O ZINC000000133588 563222367 /nfs/dbraw/zinc/22/23/67/563222367.db2.gz JVRPUWLOQZFNOG-UHFFFAOYSA-N 0 0 307.393 4.160 50 0 DIAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2o1 ZINC000000140283 563222623 /nfs/dbraw/zinc/22/26/23/563222623.db2.gz ZLJIPBXDXGRWBI-UHFFFAOYSA-N 0 0 312.394 4.175 50 0 DIAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1Br ZINC000000140510 563223357 /nfs/dbraw/zinc/22/33/57/563223357.db2.gz LPLRPXKNYRZSLQ-JXMROGBWSA-N 0 0 320.161 4.240 50 0 DIAARN CCc1cccc(OCC(=O)Nc2c(CC)cccc2CC)c1 ZINC000000145566 563223801 /nfs/dbraw/zinc/22/38/01/563223801.db2.gz CEJOHWVEQHGCER-UHFFFAOYSA-N 0 0 311.425 4.391 50 0 DIAARN Cc1cc(C)c(NC(=O)COc2ccccc2C)c(Cl)c1 ZINC000000145285 563223880 /nfs/dbraw/zinc/22/38/80/563223880.db2.gz KIPLVFIYWRDEII-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC=CCC1 ZINC000000145406 563224046 /nfs/dbraw/zinc/22/40/46/563224046.db2.gz PMPFBYUSMCNLJL-UHFFFAOYSA-N 0 0 323.236 4.126 50 0 DIAARN C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000000146610 563224079 /nfs/dbraw/zinc/22/40/79/563224079.db2.gz PLRRFMOUSARSTF-CYBMUJFWSA-N 0 0 306.361 4.422 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2)c1C ZINC000000144575 563224113 /nfs/dbraw/zinc/22/41/13/563224113.db2.gz DOKNLEGGSYWNDG-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C ZINC000000145221 563224119 /nfs/dbraw/zinc/22/41/19/563224119.db2.gz FYMAHORPIQRZIO-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN CCSc1nccc(-c2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000000149813 563224450 /nfs/dbraw/zinc/22/44/50/563224450.db2.gz BHIMZCLMQGWJTN-UHFFFAOYSA-N 0 0 300.427 4.359 50 0 DIAARN CCOC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000000149997 563224570 /nfs/dbraw/zinc/22/45/70/563224570.db2.gz OBBNUDPHYODWAB-UHFFFAOYSA-N 0 0 324.332 4.304 50 0 DIAARN CCOc1ccc(NC(=O)CSCc2cccc(C)c2)cc1 ZINC000000148704 563224652 /nfs/dbraw/zinc/22/46/52/563224652.db2.gz IZIYUXJTMKHPFJ-UHFFFAOYSA-N 0 0 315.438 4.266 50 0 DIAARN COc1ccc(SCCc2nnc(-c3ccccc3)o2)cc1 ZINC000000153079 563225215 /nfs/dbraw/zinc/22/52/15/563225215.db2.gz KMLLHYSYPRQBKG-UHFFFAOYSA-N 0 0 312.394 4.080 50 0 DIAARN COc1ccc([C@@H]2Nc3cc(OC)ccc3-n3cccc32)cc1 ZINC000000155154 563225331 /nfs/dbraw/zinc/22/53/31/563225331.db2.gz LBJJKESXWWPXKL-IBGZPJMESA-N 0 0 306.365 4.009 50 0 DIAARN Cc1cc(C)cc(NC(=O)Nc2cc(-c3ccccc3)nn2C)c1 ZINC000000157323 563225560 /nfs/dbraw/zinc/22/55/60/563225560.db2.gz FESATPCCJSYJFL-UHFFFAOYSA-N 0 0 320.396 4.348 50 0 DIAARN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000165878 563226273 /nfs/dbraw/zinc/22/62/73/563226273.db2.gz FWIJKWMXNHRSRO-UHFFFAOYSA-N 0 0 306.797 4.015 50 0 in-vivo DIAARN C[C@H](Oc1ccccc1-c1ccccc1)c1n[nH]c(=S)n1C ZINC000000163583 563226292 /nfs/dbraw/zinc/22/62/92/563226292.db2.gz RGVMTGIPWBIZHT-LBPRGKRZSA-N 0 0 311.410 4.285 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N1CCC(n2cccc2)CC1 ZINC000000170474 563226807 /nfs/dbraw/zinc/22/68/07/563226807.db2.gz FDHJTHWIVWQUBR-UHFFFAOYSA-N 0 0 303.793 4.011 50 0 DIAARN CC(C)(C)c1ccc(C(=O)NC(=O)Nc2ccccc2)s1 ZINC000000171701 563227234 /nfs/dbraw/zinc/22/72/34/563227234.db2.gz DEIQLKOLVXROEF-UHFFFAOYSA-N 0 0 302.399 4.008 50 0 DIAARN Cc1cc2[nH]c(C(=O)N(C)c3ccc(F)cc3F)cc2c(C)c1 ZINC000000171595 563227500 /nfs/dbraw/zinc/22/75/00/563227500.db2.gz HYJKFUNZXZGIRE-UHFFFAOYSA-N 0 0 314.335 4.340 50 0 DIAARN Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2c1 ZINC000000181828 563228434 /nfs/dbraw/zinc/22/84/34/563228434.db2.gz NESIPWZEOBVNIT-ZIAGYGMSSA-N 0 0 308.406 4.347 50 0 DIAARN CCOC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 ZINC000000182847 563228461 /nfs/dbraw/zinc/22/84/61/563228461.db2.gz WSCNGQKHTQGQTD-UHFFFAOYSA-N 0 0 324.380 4.038 50 0 biogenic DIAARN c1ccc(-c2cc(-c3ccccn3)nnc2-c2ccccn2)cc1 ZINC000000187673 563229143 /nfs/dbraw/zinc/22/91/43/563229143.db2.gz ZKOWJZPJMJVMFI-UHFFFAOYSA-N 0 0 310.360 4.268 50 0 DIAARN CSc1nc(=S)n(-c2cc(C)ccc2C)c(C)c1C(C)=O ZINC000000193797 563229612 /nfs/dbraw/zinc/22/96/12/563229612.db2.gz HVIFJHSEMPWUBH-UHFFFAOYSA-N 0 0 318.467 4.452 50 0 DIAARN COc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 ZINC000000196945 563229851 /nfs/dbraw/zinc/22/98/51/563229851.db2.gz UFOHBESIQPABDK-UHFFFAOYSA-N 0 0 315.225 4.105 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000210713 563230770 /nfs/dbraw/zinc/23/07/70/563230770.db2.gz SZDNUCGJHGZYAE-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1 ZINC000000225326 563231385 /nfs/dbraw/zinc/23/13/85/563231385.db2.gz FXZAPECDHLNXCB-IZZDOVSWSA-N 0 0 303.155 4.068 50 0 biogenic DIAARN C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000229315 563231398 /nfs/dbraw/zinc/23/13/98/563231398.db2.gz YCHLCDGXVTXOQJ-MLGOLLRUSA-N 0 0 313.784 4.023 50 0 DIAARN O=S(=O)(/C=C/c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000000226178 563231494 /nfs/dbraw/zinc/23/14/94/563231494.db2.gz QWMLQQGFJFQPBX-AATRIKPKSA-N 0 0 320.024 4.053 50 0 DIAARN C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000229313 563231521 /nfs/dbraw/zinc/23/15/21/563231521.db2.gz YCHLCDGXVTXOQJ-BLLLJJGKSA-N 0 0 313.784 4.023 50 0 DIAARN c1ccc2c(c1)CC1(CCCCC1)n1c(-c3cccnc3)nnc1-2 ZINC000000227434 563231560 /nfs/dbraw/zinc/23/15/60/563231560.db2.gz KSLRTNWVRVAUBV-UHFFFAOYSA-N 0 0 316.408 4.223 50 0 biogenic DIAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCCC1 ZINC000000217347 563231594 /nfs/dbraw/zinc/23/15/94/563231594.db2.gz IQUUHWDMATWURW-UHFFFAOYSA-N 0 0 302.377 4.138 50 0 DIAARN C[C@@H]1C[C@@H](NC(=O)c2ccccc2Br)CC(C)(C)C1 ZINC000000224414 563231666 /nfs/dbraw/zinc/23/16/66/563231666.db2.gz KBONKRUNHZUBQR-VXGBXAGGSA-N 0 0 324.262 4.394 50 0 DIAARN Clc1ccccc1[C@@H]1C[C@H](c2cccs2)Nc2ncnn21 ZINC000000222731 563231671 /nfs/dbraw/zinc/23/16/71/563231671.db2.gz QOAMIYOJENZPKL-OLZOCXBDSA-N 0 0 316.817 4.139 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000229823 563231760 /nfs/dbraw/zinc/23/17/60/563231760.db2.gz CVQSHLPHGKWBRG-UHFFFAOYSA-N 0 0 302.805 4.439 50 0 DIAARN O=C(Nc1ccccc1Cl)c1cccc(Br)c1 ZINC000000236962 563232117 /nfs/dbraw/zinc/23/21/17/563232117.db2.gz BKPBDFBQQGBYBP-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1Br ZINC000000237948 563232224 /nfs/dbraw/zinc/23/22/24/563232224.db2.gz YFKJGHJQOYPLEG-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN CCc1cc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)cc1O ZINC000000239576 563232742 /nfs/dbraw/zinc/23/27/42/563232742.db2.gz GJIUSEJNABINDW-UHFFFAOYSA-N 0 0 310.353 4.151 50 0 DIAARN Cc1cccc(NC(=O)c2ccccc2Br)c1C ZINC000000250070 563233266 /nfs/dbraw/zinc/23/32/66/563233266.db2.gz LXHFMTVYEPLIIR-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000251172 563233394 /nfs/dbraw/zinc/23/33/94/563233394.db2.gz UXJCDSNRRKMGRL-UHFFFAOYSA-N 0 0 301.773 4.166 50 0 DIAARN C[C@H](CC(=O)Nc1nnc(CC(C)(C)C)s1)c1ccccc1 ZINC000000249765 563233537 /nfs/dbraw/zinc/23/35/37/563233537.db2.gz COFXMGDWPPGAEH-GFCCVEGCSA-N 0 0 317.458 4.259 50 0 DIAARN CC(=O)c1cc(Cl)ccc1OC(=O)c1ccccc1Cl ZINC000000262438 563234523 /nfs/dbraw/zinc/23/45/23/563234523.db2.gz SIKIQFPTXIZNAK-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN COC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)o1 ZINC000000284617 563235954 /nfs/dbraw/zinc/23/59/54/563235954.db2.gz LMIJJLZQWWHCMY-UHFFFAOYSA-N 0 0 308.333 4.312 50 0 DIAARN Cc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)no1 ZINC000000290532 563236561 /nfs/dbraw/zinc/23/65/61/563236561.db2.gz VQCFQQNYPFFSKY-UHFFFAOYSA-N 0 0 310.737 4.243 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000303537 563237804 /nfs/dbraw/zinc/23/78/04/563237804.db2.gz UBROEMQXHRFROU-ZDUSSCGKSA-N 0 0 310.397 4.411 50 0 DIAARN Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1Cl ZINC000000301756 563238019 /nfs/dbraw/zinc/23/80/19/563238019.db2.gz RQHGICLITUWLCI-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN C[C@H]1CCc2sc3ncnc(NCCc4ccccc4)c3c2C1 ZINC000000306735 563238521 /nfs/dbraw/zinc/23/85/21/563238521.db2.gz SSEQLTKRQCERGE-ZDUSSCGKSA-N 0 0 323.465 4.471 50 0 DIAARN C[C@@H]1CCc2sc3ncnc(N4CCCCCC4)c3c2C1 ZINC000000305262 563238640 /nfs/dbraw/zinc/23/86/40/563238640.db2.gz KBQSQBAVMXDLRI-GFCCVEGCSA-N 0 0 301.459 4.197 50 0 DIAARN C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)cs2)C[C@@H](C)O1 ZINC000000310756 563239510 /nfs/dbraw/zinc/23/95/10/563239510.db2.gz RRNYPFPSDCWQAX-GHMZBOCLSA-N 0 0 308.834 4.077 50 0 DIAARN O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1F ZINC000000313467 563239682 /nfs/dbraw/zinc/23/96/82/563239682.db2.gz 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/nfs/dbraw/zinc/26/07/57/563260757.db2.gz XOTGLLSJMVIBDK-CYBMUJFWSA-N 0 0 301.411 4.123 50 0 DIAARN COc1ccccc1CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000000473075 563261092 /nfs/dbraw/zinc/26/10/92/563261092.db2.gz XVKJELKJBNITQF-SDNWHVSQSA-N 0 0 323.436 4.322 50 0 DIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCCC1 ZINC000000473888 563261206 /nfs/dbraw/zinc/26/12/06/563261206.db2.gz STQMMRWPCOGBIR-CYBMUJFWSA-N 0 0 309.837 4.336 50 0 DIAARN COc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000000472685 563261284 /nfs/dbraw/zinc/26/12/84/563261284.db2.gz CASXZQHMTWWWMK-UHFFFAOYSA-N 0 0 321.829 4.221 50 0 DIAARN C[C@H](NC(=O)/C=C/c1c(F)cccc1Cl)c1ccccc1 ZINC000000474210 563261311 /nfs/dbraw/zinc/26/13/11/563261311.db2.gz ATFJKEWEBZFRJP-IIANPFDCSA-N 0 0 303.764 4.370 50 0 DIAARN CC(C)(C)Cc1nnc(NC(=O)c2cccc(Cl)c2)s1 ZINC000000475520 563261622 /nfs/dbraw/zinc/26/16/22/563261622.db2.gz XNQZMEJMBDWGPY-UHFFFAOYSA-N 0 0 309.822 4.032 50 0 DIAARN Cc1occc1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000000475040 563261839 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/nfs/dbraw/zinc/27/39/34/563273934.db2.gz NIAZWDOFWZORNI-DHDCSXOGSA-N 0 0 314.410 4.278 50 0 DIAARN COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000997192 563274030 /nfs/dbraw/zinc/27/40/30/563274030.db2.gz NZKLDYYRLVFZCE-UHFFFAOYSA-N 0 0 312.394 4.423 50 0 DIAARN O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011147 563274507 /nfs/dbraw/zinc/27/45/07/563274507.db2.gz NFSIMQAJJFWONM-GDNBJRDFSA-N 0 0 313.353 4.062 50 0 DIAARN Cc1ccc([C@H]2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 ZINC000001016603 563274718 /nfs/dbraw/zinc/27/47/18/563274718.db2.gz PGJFNBYODRCHKH-UNMCSNQZSA-N 0 0 314.384 4.211 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)C(C)(C)C ZINC000001054098 563275640 /nfs/dbraw/zinc/27/56/40/563275640.db2.gz FUMDZKCSLBCSNQ-NSHDSACASA-N 0 0 320.820 4.468 50 0 DIAARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000001062716 563276368 /nfs/dbraw/zinc/27/63/68/563276368.db2.gz XMCCNZRAGIPSGZ-HXUWFJFHSA-N 0 0 316.404 4.042 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc2cccnc21 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Nc1c(-c2ccsc2)cnn1-c1ccc(Cl)cc1Cl ZINC000001402403 563282889 /nfs/dbraw/zinc/28/28/89/563282889.db2.gz CQYBJZCJLZTESV-UHFFFAOYSA-N 0 0 310.209 4.490 50 0 DIAARN CCCC[C@@H](CC)CNC(=O)c1ccccc1Br ZINC000002988840 563320028 /nfs/dbraw/zinc/32/00/28/563320028.db2.gz XDZKZPWWMWGIGX-GFCCVEGCSA-N 0 0 312.251 4.395 50 0 DIAARN COc1ccccc1NC(=O)CCCOc1cc(C)ccc1C ZINC000001779301 563295601 /nfs/dbraw/zinc/29/56/01/563295601.db2.gz VEGQUILSPARDEE-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN CCCCc1ccc(NC(=S)NC(=O)CC(C)(C)C)cc1 ZINC000001783152 563295788 /nfs/dbraw/zinc/29/57/88/563295788.db2.gz WYGUQUCEXLSZSO-UHFFFAOYSA-N 0 0 306.475 4.278 50 0 DIAARN CCCOc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 ZINC000001778377 563295827 /nfs/dbraw/zinc/29/58/27/563295827.db2.gz UNBSGPNCOWQGMO-SDNWHVSQSA-N 0 0 301.430 4.328 50 0 DIAARN CCCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000001912028 563296731 /nfs/dbraw/zinc/29/67/31/563296731.db2.gz DXOUPWUEJHBEGQ-UHFFFAOYSA-N 0 0 312.413 4.143 50 0 DIAARN CCCCOc1cc2oc(=O)c3c(c2cc1CC)CCCC3 ZINC000001902694 563296881 /nfs/dbraw/zinc/29/68/81/563296881.db2.gz LSMBDCCBZZOCFH-UHFFFAOYSA-N 0 0 300.398 4.413 50 0 DIAARN Cc1ccccc1OCCCCn1c2ccccc2nc1[C@H](C)O ZINC000001926794 563297185 /nfs/dbraw/zinc/29/71/85/563297185.db2.gz WJFNESBMIWRPPF-INIZCTEOSA-N 0 0 324.424 4.257 50 0 DIAARN CC[C@H](C)c1ccc(OCCn2c(CO)nc3ccccc32)cc1 ZINC000001926861 563297219 /nfs/dbraw/zinc/29/72/19/563297219.db2.gz CZWWSVQTABPLGY-HNNXBMFYSA-N 0 0 324.424 4.121 50 0 DIAARN CCCCOC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000002065809 563298787 /nfs/dbraw/zinc/29/87/87/563298787.db2.gz HCGXNERQXYLYQM-UHFFFAOYSA-N 0 0 312.365 4.171 50 0 DIAARN O=C(NCCC1=CCCCC1)c1c(F)c(F)c(F)c(F)c1F ZINC000002115144 563300231 /nfs/dbraw/zinc/30/02/31/563300231.db2.gz CUIGPPFQTQXNNH-UHFFFAOYSA-N 0 0 319.273 4.002 50 0 DIAARN Cc1cccc(NC(=O)CCCCC(=O)Nc2cccc(C)c2)c1 ZINC000002096464 563300250 /nfs/dbraw/zinc/30/02/50/563300250.db2.gz LGMPARIILLILSF-UHFFFAOYSA-N 0 0 324.424 4.441 50 0 DIAARN CCCOc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1 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563351363 /nfs/dbraw/zinc/35/13/63/563351363.db2.gz VCONILRZFXJHCH-UHFFFAOYSA-N 0 0 319.360 4.321 50 0 DIAARN CCCCSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000009088218 563351436 /nfs/dbraw/zinc/35/14/36/563351436.db2.gz WTZGCNWUHIIPDS-UHFFFAOYSA-N 0 0 321.471 4.002 50 0 DIAARN CCC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000009230815 563352954 /nfs/dbraw/zinc/35/29/54/563352954.db2.gz DQAAPZQOHONNRX-UHFFFAOYSA-N 0 0 317.776 4.333 50 0 DIAARN CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000009259146 563352935 /nfs/dbraw/zinc/35/29/35/563352935.db2.gz WHQXTUQTCOXXCM-UHFFFAOYSA-N 0 0 311.385 4.315 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1ccc(F)cc1Cl ZINC000009883148 563354833 /nfs/dbraw/zinc/35/48/33/563354833.db2.gz UIQMQZZYSIHKNT-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN CC(C)=CCc1cc2c(cc1O)O[C@H](c1ccc(O)cc1)CC2=O ZINC000015115057 563355117 /nfs/dbraw/zinc/35/51/17/563355117.db2.gz OAUREGNZECGNQS-IBGZPJMESA-N 0 0 324.376 4.313 50 0 biogenic,in-vitro DIAARN CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1 ZINC000002908206 563357760 /nfs/dbraw/zinc/35/77/60/563357760.db2.gz JBLGCZDPPLPWSW-UHFFFAOYSA-N 0 0 319.411 4.401 50 0 aggregator DIAARN CC(=O)Nc1cccc(Nc2cc(-c3ccccc3)nc(C)n2)c1 ZINC000011907872 563360129 /nfs/dbraw/zinc/36/01/29/563360129.db2.gz JGURNCIEDCMACJ-UHFFFAOYSA-N 0 0 318.380 4.154 50 0 DIAARN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000011907820 563360280 /nfs/dbraw/zinc/36/02/80/563360280.db2.gz ZVCLHTGKHMLKQJ-UHFFFAOYSA-N 0 0 318.380 4.154 50 0 DIAARN C[C@H]1CN(Cc2ccccc2OC(F)F)Cc2ccccc2O1 ZINC000012190535 563363666 /nfs/dbraw/zinc/36/36/66/563363666.db2.gz WLQBDJDZIBOJDF-ZDUSSCGKSA-N 0 0 319.351 4.071 50 0 DIAARN O=C(Nc1ccccc1Cl)c1cc2ccccc2c(=O)s1 ZINC000012274416 563365440 /nfs/dbraw/zinc/36/54/40/563365440.db2.gz CJTPUUFBGRYMIP-UHFFFAOYSA-N 0 0 315.781 4.167 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2c(=O)s1 ZINC000012274404 563365725 /nfs/dbraw/zinc/36/57/25/563365725.db2.gz ZDEIFUOJXDLWAX-UHFFFAOYSA-N 0 0 315.781 4.167 50 0 DIAARN CSc1ccccc1NC(=O)Nc1ccc2nsnc2c1 ZINC000012340898 563366114 /nfs/dbraw/zinc/36/61/14/563366114.db2.gz NSPMOFQAWDCIHU-UHFFFAOYSA-N 0 0 316.411 4.057 50 0 DIAARN CC(C)(C)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000012366681 563367238 /nfs/dbraw/zinc/36/72/38/563367238.db2.gz JRIMIJWKAMILOY-UHFFFAOYSA-N 0 0 310.441 4.376 50 0 DIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000012380773 563367690 /nfs/dbraw/zinc/36/76/90/563367690.db2.gz PQBTYWXRIJLVCV-SNVBAGLBSA-N 0 0 322.792 4.032 50 0 DIAARN O=c1c2ccc(-c3ccc(Cl)cc3)[nH]c-2nn1-c1ccccc1 ZINC000012377079 563367748 /nfs/dbraw/zinc/36/77/48/563367748.db2.gz ZLEWFSDEZQLSHN-UHFFFAOYSA-N 0 0 321.767 4.034 50 0 DIAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000012381329 563367861 /nfs/dbraw/zinc/36/78/61/563367861.db2.gz YSLKMSCNESBCQB-UHFFFAOYSA-N 0 0 324.424 4.243 50 0 DIAARN CC(C)(C)C(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000012440136 563369678 /nfs/dbraw/zinc/36/96/78/563369678.db2.gz BUAIGLQWWRFEIZ-AWEZNQCLSA-N 0 0 309.400 4.182 50 0 DIAARN Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1C ZINC000012436119 563370172 /nfs/dbraw/zinc/37/01/72/563370172.db2.gz QEDHRPXEHWMJFS-LJQANCHMSA-N 0 0 308.425 4.020 50 0 DIAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000012631398 563372240 /nfs/dbraw/zinc/37/22/40/563372240.db2.gz BQMDLHXMSHJXHO-CYBMUJFWSA-N 0 0 319.426 4.010 50 0 DIAARN CCc1ccc2c(c1)c(C)c(C(=O)Nc1ccccc1OC)n2C ZINC000012652672 563372446 /nfs/dbraw/zinc/37/24/46/563372446.db2.gz BOEGLMKBCGWERL-UHFFFAOYSA-N 0 0 322.408 4.310 50 0 DIAARN O=C(Nc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000008997166 563372941 /nfs/dbraw/zinc/37/29/41/563372941.db2.gz FQOGZGPRJUOJNB-UHFFFAOYSA-N 0 0 312.438 4.451 50 0 DIAARN CCc1cccc(C)c1NC(=O)Cc1sc(SC)nc1C ZINC000012792475 563373770 /nfs/dbraw/zinc/37/37/70/563373770.db2.gz NQEPJLKULGABPY-UHFFFAOYSA-N 0 0 320.483 4.225 50 0 DIAARN Cc1ccc(CNC(=O)c2oc3c(cccc3F)c2C)s1 ZINC000012836736 563374641 /nfs/dbraw/zinc/37/46/41/563374641.db2.gz KYVPYZBYYHPDKD-UHFFFAOYSA-N 0 0 303.358 4.180 50 0 DIAARN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)Oc1ccccc1 ZINC000032678638 563375580 /nfs/dbraw/zinc/37/55/80/563375580.db2.gz WQVRZUPJJHJLRB-GFCCVEGCSA-N 0 0 323.845 4.218 50 0 DIAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CCCO1 ZINC000012976965 563376094 /nfs/dbraw/zinc/37/60/94/563376094.db2.gz ATDQXTOVXYKJEE-MRXNPFEDSA-N 0 0 317.772 4.250 50 0 DIAARN COCc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000012980076 563376248 /nfs/dbraw/zinc/37/62/48/563376248.db2.gz ZYHIBIUQBVPJKD-UHFFFAOYSA-N 0 0 310.180 4.392 50 0 DIAARN O=C(Nc1nccs1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012979852 563376284 /nfs/dbraw/zinc/37/62/84/563376284.db2.gz UPVAUNVJFSNQCK-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN CCCc1nnc(SCc2csc(-c3ccccc3)n2)[nH]1 ZINC000012991035 563376635 /nfs/dbraw/zinc/37/66/35/563376635.db2.gz WOACUFYPBLJPEI-UHFFFAOYSA-N 0 0 316.455 4.173 50 0 DIAARN Cc1ccc(CNC(=O)N(C)Cc2ccc3ccccc3c2)cc1 ZINC000012985340 563376932 /nfs/dbraw/zinc/37/69/32/563376932.db2.gz QEXCDVLUGGSDPM-UHFFFAOYSA-N 0 0 318.420 4.490 50 0 DIAARN Clc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 ZINC000013121868 563377942 /nfs/dbraw/zinc/37/79/42/563377942.db2.gz DCXOEABCLIVSFE-STQMWFEESA-N 0 0 316.817 4.139 50 0 DIAARN Oc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(O)c1 ZINC000013130224 563378948 /nfs/dbraw/zinc/37/89/48/563378948.db2.gz DKYTYUJTRQWVBQ-UHFFFAOYSA-N 0 0 308.362 4.370 50 0 aggregator DIAARN CCc1c(C)c(/C=C2\N=C(COC)C(CC)=C2C)[nH]c1COC ZINC000013203361 563379700 /nfs/dbraw/zinc/37/97/00/563379700.db2.gz SJKCNHCNVQVXMV-MFOYZWKCSA-N 0 0 316.445 4.200 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000013320276 563380066 /nfs/dbraw/zinc/38/00/66/563380066.db2.gz DEYMRBBKXAPZQS-PHIMTYICSA-N 0 0 300.324 4.215 50 0 DIAARN c1ccc2[nH]c(-c3cccc(NCc4cccnc4)c3)nc2c1 ZINC000013238122 563380261 /nfs/dbraw/zinc/38/02/61/563380261.db2.gz BVBAHXUGPUGMKJ-UHFFFAOYSA-N 0 0 300.365 4.237 50 0 DIAARN CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013328693 563380870 /nfs/dbraw/zinc/38/08/70/563380870.db2.gz KXIUUEKENVCCDE-GFCCVEGCSA-N 0 0 314.429 4.334 50 0 DIAARN CC[C@@]1(c2ccccc2)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000013521637 563382626 /nfs/dbraw/zinc/38/26/26/563382626.db2.gz VNHWKVLJCWGPDC-GOSISDBHSA-N 0 0 311.454 4.177 50 0 DIAARN COc1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 ZINC000013519928 563382793 /nfs/dbraw/zinc/38/27/93/563382793.db2.gz VDPNORCJOUDKIY-UHFFFAOYSA-N 0 0 306.818 4.466 50 0 DIAARN CC1(C)C[C@]2(CCCN(C(=S)Nc3ccccc3)C2)CCO1 ZINC000013687831 563386208 /nfs/dbraw/zinc/38/62/08/563386208.db2.gz NRMFQEXWQDJACQ-SFHVURJKSA-N 0 0 318.486 4.055 50 0 DIAARN Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccncc1 ZINC000032740846 563388737 /nfs/dbraw/zinc/38/87/37/563388737.db2.gz LQTFLEWYHLVDIC-GFCCVEGCSA-N 0 0 323.421 4.005 50 0 DIAARN Cn1cc(C(=O)Nc2cccc3c2CCCC3)c2ccccc21 ZINC000032738590 563389207 /nfs/dbraw/zinc/38/92/07/563389207.db2.gz ZQBGXCBGYUZAQI-UHFFFAOYSA-N 0 0 304.393 4.309 50 0 DIAARN O=C(c1cc2c(s1)CCCC2)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000032748039 563389967 /nfs/dbraw/zinc/38/99/67/563389967.db2.gz JIACQZCFJQTGKL-ZFWWWQNUSA-N 0 0 303.471 4.279 50 0 DIAARN CSc1cccc(NC(=O)CCn2ccc3ccccc32)c1 ZINC000032747709 563389991 /nfs/dbraw/zinc/38/99/91/563389991.db2.gz VCHRNVKDLIWVHT-UHFFFAOYSA-N 0 0 310.422 4.392 50 0 DIAARN COc1ccc(C)cc1NC(=S)Nc1ccc2c(c1)CCC2 ZINC000013812811 563390333 /nfs/dbraw/zinc/39/03/33/563390333.db2.gz PNZMVSVNWNYEAF-UHFFFAOYSA-N 0 0 312.438 4.301 50 0 DIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032760327 563390583 /nfs/dbraw/zinc/39/05/83/563390583.db2.gz ZNOVCPKHWZDESG-NSHDSACASA-N 0 0 310.784 4.413 50 0 DIAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000032754785 563390711 /nfs/dbraw/zinc/39/07/11/563390711.db2.gz LEDMNHFLGRCNEW-UHFFFAOYSA-N 0 0 320.396 4.033 50 0 DIAARN COc1ccccc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000032769532 563392151 /nfs/dbraw/zinc/39/21/51/563392151.db2.gz VIEKFANFZYBEEC-UHFFFAOYSA-N 0 0 311.381 4.269 50 0 DIAARN CCCOc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000032770911 563392659 /nfs/dbraw/zinc/39/26/59/563392659.db2.gz RKDAUPZWSAXESS-UHFFFAOYSA-N 0 0 312.344 4.348 50 0 DIAARN C[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1F ZINC000032795235 563394890 /nfs/dbraw/zinc/39/48/90/563394890.db2.gz FPCRRPDOHUKJHQ-RYUDHWBXSA-N 0 0 321.779 4.124 50 0 DIAARN C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1F ZINC000032795234 563394911 /nfs/dbraw/zinc/39/49/11/563394911.db2.gz FPCRRPDOHUKJHQ-NWDGAFQWSA-N 0 0 321.779 4.124 50 0 DIAARN O=C(Nc1ccccc1O)c1cc2c(s1)-c1ccccc1OC2 ZINC000014171748 563396659 /nfs/dbraw/zinc/39/66/59/563396659.db2.gz IKCFGPCCEIVWCX-UHFFFAOYSA-N 0 0 323.373 4.265 50 0 DIAARN O=C(Cc1ccccc1F)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032818713 563398375 /nfs/dbraw/zinc/39/83/75/563398375.db2.gz RVOISTHCOJWEQD-UHFFFAOYSA-N 0 0 310.328 4.026 50 0 DIAARN Cc1nn2c(nc(N3CCCCCC3)c3ccccc32)c1Cl ZINC000014245859 563399140 /nfs/dbraw/zinc/39/91/40/563399140.db2.gz OARYYUCICBTYEU-UHFFFAOYSA-N 0 0 314.820 4.225 50 0 DIAARN CC[C@H](C)N(C(=O)c1ccncc1)c1nc2ccccc2s1 ZINC000014253622 563399650 /nfs/dbraw/zinc/39/96/50/563399650.db2.gz CUEFDAGVPKOCOZ-LBPRGKRZSA-N 0 0 311.410 4.137 50 0 DIAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000014254341 563399872 /nfs/dbraw/zinc/39/98/72/563399872.db2.gz DFLYIXBVRPZQDA-GFCCVEGCSA-N 0 0 307.390 4.140 50 0 DIAARN COc1ccccc1OC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000014471799 563400996 /nfs/dbraw/zinc/40/09/96/563400996.db2.gz OIXYYFXSIMYCSZ-UHFFFAOYSA-N 0 0 322.360 4.078 50 0 DIAARN CSc1nc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2s1 ZINC000014500999 563401044 /nfs/dbraw/zinc/40/10/44/563401044.db2.gz DYSRNYKTZBZJRZ-SNVBAGLBSA-N 0 0 304.440 4.313 50 0 DIAARN CC[C@@H](NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000032841220 563401542 /nfs/dbraw/zinc/40/15/42/563401542.db2.gz AOXONUZUOGCJNE-MUGCCGGLSA-N 0 0 316.445 4.074 50 0 DIAARN CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl ZINC000032843763 563401584 /nfs/dbraw/zinc/40/15/84/563401584.db2.gz CLSJEUCUNCNZOU-UHFFFAOYSA-N 0 0 323.223 4.335 50 0 DIAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC000032854791 563403041 /nfs/dbraw/zinc/40/30/41/563403041.db2.gz FJVVIFVMDGVOES-UHFFFAOYSA-N 0 0 309.365 4.371 50 0 DIAARN CC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2nc1C ZINC000032856081 563403099 /nfs/dbraw/zinc/40/30/99/563403099.db2.gz GEDNMAAGODJUQQ-UHFFFAOYSA-N 0 0 322.339 4.137 50 0 DIAARN Cc1ccc([C@H](NC(=O)c2cc(F)ccc2F)C2CC2)cc1 ZINC000032865759 563403695 /nfs/dbraw/zinc/40/36/95/563403695.db2.gz ZQRVTUPPILCXPY-KRWDZBQOSA-N 0 0 301.336 4.154 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003881348 563404370 /nfs/dbraw/zinc/40/43/70/563404370.db2.gz WRWBCPJQPDHXTJ-YQXKYMSPSA-N 0 0 304.474 4.061 50 0 biogenic DIAARN CCCCOc1ccccc1C[C@@H]1c2cc(C)ccc2NC1=O ZINC000015017354 563405470 /nfs/dbraw/zinc/40/54/70/563405470.db2.gz NQWUHQGQKXNAHZ-QGZVFWFLSA-N 0 0 309.409 4.452 50 0 DIAARN Cc1cccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1 ZINC000015017890 563405861 /nfs/dbraw/zinc/40/58/61/563405861.db2.gz MMFWOLPUDRGLNS-AWEZNQCLSA-N 0 0 316.198 4.036 50 0 DIAARN Cc1cccc2c1NC(=O)[C@H]2Cc1ccc(Br)cc1 ZINC000015017522 563406156 /nfs/dbraw/zinc/40/61/56/563406156.db2.gz ATPUVNQVTFXRLO-AWEZNQCLSA-N 0 0 316.198 4.036 50 0 DIAARN Cc1cccc(N2C(=N)S/C(=C\c3ccc(F)cc3)C2=O)c1 ZINC000015053091 563406300 /nfs/dbraw/zinc/40/63/00/563406300.db2.gz ZPBOJWOHGAGSMW-QFULKBQASA-N 0 0 312.369 4.190 50 0 DIAARN C[C@@H]1CCc2c(sc3c2[C@H](c2cccs2)CC(=O)N3)C1 ZINC000015085200 563406668 /nfs/dbraw/zinc/40/66/68/563406668.db2.gz NGZJCMMKHFMZST-KOLCDFICSA-N 0 0 303.452 4.409 50 0 DIAARN COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1 ZINC000015084681 563406784 /nfs/dbraw/zinc/40/67/84/563406784.db2.gz ONJTVDKKZPYERG-CQSZACIVSA-N 0 0 313.422 4.110 50 0 DIAARN Cc1nnnn1-c1ccc(Oc2ccccc2Cl)c(Cl)c1 ZINC000015084489 563406823 /nfs/dbraw/zinc/40/68/23/563406823.db2.gz CPJKXKVLKIHSBQ-UHFFFAOYSA-N 0 0 321.167 4.070 50 0 DIAARN C[C@H]1CCc2c(sc3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)C1 ZINC000015085181 563406945 /nfs/dbraw/zinc/40/69/45/563406945.db2.gz CBXGBCJPIFTWIN-IINYFYTJSA-N 0 0 313.422 4.053 50 0 DIAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1cc2ccccc2o1 ZINC000032883871 563407830 /nfs/dbraw/zinc/40/78/30/563407830.db2.gz ZYUHRFBZLBQSND-UHFFFAOYSA-N 0 0 321.380 4.070 50 0 DIAARN Cc1csc(N(C(=O)c2ccc(C)nc2)c2ccccc2)n1 ZINC000032895877 563408374 /nfs/dbraw/zinc/40/83/74/563408374.db2.gz WPFVXXYXUOYRRB-UHFFFAOYSA-N 0 0 309.394 4.133 50 0 DIAARN CSCCC(=O)Nc1nc2ccc3ccccc3c2s1 ZINC000032902951 563410200 /nfs/dbraw/zinc/41/02/00/563410200.db2.gz YIEBSIAEMNNYKH-UHFFFAOYSA-N 0 0 302.424 4.141 50 0 DIAARN O=C(Cc1ccc2ccccc2c1)N1CCC[C@H]1c1ccncc1 ZINC000032907465 563411075 /nfs/dbraw/zinc/41/10/75/563411075.db2.gz WCBRRIJYWISPOS-FQEVSTJZSA-N 0 0 316.404 4.141 50 0 DIAARN Cc1ccc(-c2cc(CN3CCc4sccc4C3)on2)cc1 ZINC000032913829 563411678 /nfs/dbraw/zinc/41/16/78/563411678.db2.gz CHTDCDJUJWEGHO-UHFFFAOYSA-N 0 0 310.422 4.270 50 0 DIAARN O=C(c1cnc(-c2ccccc2)s1)N1CCc2ccccc2C1 ZINC000032930049 563413652 /nfs/dbraw/zinc/41/36/52/563413652.db2.gz SAWFMWKZJGVLKW-UHFFFAOYSA-N 0 0 320.417 4.009 50 0 DIAARN Cc1ccsc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000032931077 563414173 /nfs/dbraw/zinc/41/41/73/563414173.db2.gz FBXXXQWKFFKIKT-SNVBAGLBSA-N 0 0 311.353 4.149 50 0 DIAARN CCc1ccccc1NC(=O)COc1cccc2ccc(C)nc21 ZINC000000382029 563414298 /nfs/dbraw/zinc/41/42/98/563414298.db2.gz BMLZAACYBUIMKE-UHFFFAOYSA-N 0 0 320.392 4.123 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c(C)c1 ZINC000032931082 563414317 /nfs/dbraw/zinc/41/43/17/563414317.db2.gz ZSMCHCKNUZVIMJ-ZDUSSCGKSA-N 0 0 319.351 4.396 50 0 DIAARN Cc1ccc(OCCC(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000032933225 563414461 /nfs/dbraw/zinc/41/44/61/563414461.db2.gz NDYMDOZEHPODBM-UHFFFAOYSA-N 0 0 320.392 4.193 50 0 DIAARN COc1ccc(/C=C2/N=C(SC)SC2=O)c2ccccc12 ZINC000000457906 563414738 /nfs/dbraw/zinc/41/47/38/563414738.db2.gz FVUVZTKAWUIJBE-UKTHLTGXSA-N 0 0 315.419 4.182 50 0 DIAARN CC1(C)CC(=O)C=C(Nc2sc3c(c2C#N)CCCC3)C1 ZINC000000998238 563415147 /nfs/dbraw/zinc/41/51/47/563415147.db2.gz OQBPZFSLEMHYNK-UHFFFAOYSA-N 0 0 300.427 4.183 50 0 DIAARN Cc1cc(N2C[C@H](C)C[C@H](C)C2)n2ncc(-c3ccccc3)c2n1 ZINC000018078055 563415360 /nfs/dbraw/zinc/41/53/60/563415360.db2.gz ASFPPSDRQAHGIK-GASCZTMLSA-N 0 0 320.440 4.187 50 0 DIAARN Cc1ccc(C)c(OC(=O)c2ccc(Cn3cccn3)cc2)c1C ZINC000010642412 563415645 /nfs/dbraw/zinc/41/56/45/563415645.db2.gz NRLFXIBSXOQLGI-UHFFFAOYSA-N 0 0 320.392 4.076 50 0 DIAARN CC(=O)c1c(C)nc2n(Cc3ccc(C)cc3)c3ccccc3n12 ZINC000000975737 563415798 /nfs/dbraw/zinc/41/57/98/563415798.db2.gz SMMUPTMMVMPDSJ-UHFFFAOYSA-N 0 0 317.392 4.157 50 0 DIAARN CC[C@H]1CCCCN1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000072093865 563418108 /nfs/dbraw/zinc/41/81/08/563418108.db2.gz BCAAIJZXDAHWIS-INIZCTEOSA-N 0 0 320.864 4.346 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1ccc2ncsc2c1 ZINC000010783013 563418306 /nfs/dbraw/zinc/41/83/06/563418306.db2.gz IQSOLKMDVPYECD-UHFFFAOYSA-N 0 0 305.362 4.097 50 0 DIAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)c1ccccc1 ZINC000005594954 563419027 /nfs/dbraw/zinc/41/90/27/563419027.db2.gz VERRNGZGQJKUJC-UHFFFAOYSA-N 0 0 319.389 4.315 50 0 DIAARN CC(C)C(=O)c1sc(Nc2ccc(C(C)C)cc2)nc1N ZINC000032947609 563419252 /nfs/dbraw/zinc/41/92/52/563419252.db2.gz AXVSAGYKPXIKBR-UHFFFAOYSA-N 0 0 303.431 4.431 50 0 DIAARN CC[C@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000010851453 563419320 /nfs/dbraw/zinc/41/93/20/563419320.db2.gz AGBZOWDZJPLHKC-ZDUSSCGKSA-N 0 0 317.816 4.301 50 0 DIAARN COc1ccc([C@@H](NC(=O)c2ccoc2C)c2ccccc2)cc1 ZINC000025448670 563423092 /nfs/dbraw/zinc/42/30/92/563423092.db2.gz NHEDVOKBAMJGFH-IBGZPJMESA-N 0 0 321.376 4.116 50 0 DIAARN CCCCCC[C@H](CC)C(=O)N1CCC(c2nc(C)no2)CC1 ZINC000069946913 563423630 /nfs/dbraw/zinc/42/36/30/563423630.db2.gz MCXDUDQTQAPBDQ-HNNXBMFYSA-N 0 0 321.465 4.081 50 0 DIAARN Cc1c(C(=O)N(C)c2ccccc2)sc2nc(C)cc(C)c12 ZINC000025949693 563424415 /nfs/dbraw/zinc/42/44/15/563424415.db2.gz LOYNINREBREELH-UHFFFAOYSA-N 0 0 310.422 4.498 50 0 DIAARN Cc1ccc(-n2ccnc2S[C@H]2CCCCCC2=O)cc1C ZINC000026044776 563424494 /nfs/dbraw/zinc/42/44/94/563424494.db2.gz FMWOTOUMSPAATB-KRWDZBQOSA-N 0 0 314.454 4.483 50 0 DIAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000026254770 563424831 /nfs/dbraw/zinc/42/48/31/563424831.db2.gz ZHOPUPSPRIMMAA-UHFFFAOYSA-N 0 0 322.339 4.052 50 0 DIAARN C[C@@H](Sc1ncc2ccccn21)C(=O)c1ccc2c(c1)CCC2 ZINC000026371391 563425028 /nfs/dbraw/zinc/42/50/28/563425028.db2.gz BKUGYLVDRLFBFL-CYBMUJFWSA-N 0 0 322.433 4.187 50 0 DIAARN CC(=O)c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000026777481 563426608 /nfs/dbraw/zinc/42/66/08/563426608.db2.gz CVJSOTWNQJLKGE-UHFFFAOYSA-N 0 0 311.312 4.262 50 0 DIAARN O=C(C[C@@H]1C=CCC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000026905894 563427272 /nfs/dbraw/zinc/42/72/72/563427272.db2.gz IOCNLHFTIWBOHS-UYAOXDASSA-N 0 0 305.421 4.443 50 0 DIAARN CCN(C(=O)c1cc(Cl)ccn1)c1nc2ccccc2s1 ZINC000026907666 563427358 /nfs/dbraw/zinc/42/73/58/563427358.db2.gz XAZKETXUHTVLJS-UHFFFAOYSA-N 0 0 317.801 4.011 50 0 DIAARN CC(C)c1nc2cc(NC(=O)NCc3ccccc3)ccc2o1 ZINC000027351647 563427853 /nfs/dbraw/zinc/42/78/53/563427853.db2.gz UAUKYXGMSRODQA-UHFFFAOYSA-N 0 0 309.369 4.273 50 0 DIAARN Cn1c(Cl)cnc1CSc1nc(-c2ccccc2)cs1 ZINC000027543427 563428009 /nfs/dbraw/zinc/42/80/09/563428009.db2.gz BBKFSIOHDNJPID-UHFFFAOYSA-N 0 0 321.858 4.489 50 0 DIAARN Cc1ccc(C(=O)C(=O)N(CCC(C)C)CCC(C)C)cc1 ZINC000072271149 563428175 /nfs/dbraw/zinc/42/81/75/563428175.db2.gz LWNSMBJTVDDKTH-UHFFFAOYSA-N 0 0 303.446 4.099 50 0 DIAARN O=C(c1ccco1)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000027581084 563428604 /nfs/dbraw/zinc/42/86/04/563428604.db2.gz IWFHQZNQUAVZOI-UHFFFAOYSA-N 0 0 312.756 4.175 50 0 DIAARN COc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 ZINC000027582402 563428703 /nfs/dbraw/zinc/42/87/03/563428703.db2.gz AIHYNURLMIITOW-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CCCCC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000027589942 563428770 /nfs/dbraw/zinc/42/87/70/563428770.db2.gz JRISCJUQUNHGJV-UHFFFAOYSA-N 0 0 322.452 4.056 50 0 DIAARN Cc1cccnc1NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000027651919 563428841 /nfs/dbraw/zinc/42/88/41/563428841.db2.gz QBRJHJTXLVEWNC-UHFFFAOYSA-N 0 0 324.355 4.360 50 0 DIAARN O=C(Nc1nc(-c2cccs2)cs1)[C@H]1C[C@H]1c1ccco1 ZINC000070014790 563429431 /nfs/dbraw/zinc/42/94/31/563429431.db2.gz CDAFCLNMLYKGOO-ZJUUUORDSA-N 0 0 316.407 4.207 50 0 DIAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000027662160 563429480 /nfs/dbraw/zinc/42/94/80/563429480.db2.gz PAZWXLNUVHLATP-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN COc1ccc(C(=O)CNc2cccc3ccccc32)cc1OC ZINC000027752753 563429573 /nfs/dbraw/zinc/42/95/73/563429573.db2.gz HKGSJYCVXAOVIY-UHFFFAOYSA-N 0 0 321.376 4.152 50 0 DIAARN Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c1 ZINC000028266068 563430787 /nfs/dbraw/zinc/43/07/87/563430787.db2.gz AWDQNAJDGZYJTL-UHFFFAOYSA-N 0 0 317.392 4.310 50 0 DIAARN CC[C@@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1 ZINC000028252575 563431048 /nfs/dbraw/zinc/43/10/48/563431048.db2.gz GSPVGRLMYQFGJO-CYBMUJFWSA-N 0 0 311.410 4.271 50 0 DIAARN Cc1cc([C@@H](C)NC(=O)NCc2ccc(F)cc2)c(C)s1 ZINC000028356117 563431388 /nfs/dbraw/zinc/43/13/88/563431388.db2.gz RPBGIPBOHKHJDP-LLVKDONJSA-N 0 0 306.406 4.064 50 0 DIAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000028404190 563431715 /nfs/dbraw/zinc/43/17/15/563431715.db2.gz VWDIGGTUEOTGNB-UHFFFAOYSA-N 0 0 311.406 4.066 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc2c3c(cccc31)CC2 ZINC000028651950 563432016 /nfs/dbraw/zinc/43/20/16/563432016.db2.gz FOKKVNJUDNEHHD-KSSFIOAISA-N 0 0 322.452 4.045 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc2c3c(cccc31)CC2 ZINC000028651957 563432326 /nfs/dbraw/zinc/43/23/26/563432326.db2.gz FOKKVNJUDNEHHD-KBXCAEBGSA-N 0 0 322.452 4.045 50 0 DIAARN O=C(N1CC[C@H]2CCCC[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000028896422 563432744 /nfs/dbraw/zinc/43/27/44/563432744.db2.gz XRLSYGXRAVSIMK-JFNPMQPZSA-N 0 0 301.474 4.242 50 0 DIAARN Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000028925555 563432815 /nfs/dbraw/zinc/43/28/15/563432815.db2.gz OJXWIDFLCGBIRF-ZDUSSCGKSA-N 0 0 314.454 4.256 50 0 DIAARN COCc1ccccc1NC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000072282543 563433900 /nfs/dbraw/zinc/43/39/00/563433900.db2.gz GAWNCOSXPOPUTP-ZDUSSCGKSA-N 0 0 314.385 4.184 50 0 DIAARN Cc1cccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 ZINC000011052288 563435437 /nfs/dbraw/zinc/43/54/37/563435437.db2.gz NAPDXRYOQFIVGN-CQSZACIVSA-N 0 0 323.392 4.011 50 0 DIAARN CSc1ccc(CN[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643114 563437686 /nfs/dbraw/zinc/43/76/86/563437686.db2.gz VWSCOKBMFPUGKW-SFHVURJKSA-N 0 0 323.465 4.021 50 0 DIAARN CC(C)c1ccc(CN[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643172 563437765 /nfs/dbraw/zinc/43/77/65/563437765.db2.gz XOYSBIVWGXUUOE-HXUWFJFHSA-N 0 0 319.452 4.423 50 0 DIAARN Cc1oc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 ZINC000030835612 563438551 /nfs/dbraw/zinc/43/85/51/563438551.db2.gz JIVWAPVVOWWIPU-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN CC(C)Oc1ccccc1NC(=O)c1ccc2ccccc2n1 ZINC000030955033 563440021 /nfs/dbraw/zinc/44/00/21/563440021.db2.gz XQCPBEMPJZSKCH-UHFFFAOYSA-N 0 0 306.365 4.274 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1cc(-c2cccs2)on1 ZINC000032623226 563443301 /nfs/dbraw/zinc/44/33/01/563443301.db2.gz CFIFIRAFZWMHOE-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN IC12CCC(c3ccccc3)(CC1)CC2 ZINC000068677069 563443440 /nfs/dbraw/zinc/44/34/40/563443440.db2.gz TVVRSXCGKKTINL-UHFFFAOYSA-N 0 0 312.194 4.466 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)on1 ZINC000033270021 563444823 /nfs/dbraw/zinc/44/48/23/563444823.db2.gz JIAHVZQSYBYOFW-AWEZNQCLSA-N 0 0 320.339 4.054 50 0 DIAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C ZINC000033270553 563445018 /nfs/dbraw/zinc/44/50/18/563445018.db2.gz CDDYDLIOUOBBOK-MRXNPFEDSA-N 0 0 313.401 4.223 50 0 DIAARN CCCCC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960701 563446309 /nfs/dbraw/zinc/44/63/09/563446309.db2.gz LIQGIVARKYVOPB-UHFFFAOYSA-N 0 0 321.424 4.477 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2)c2cccc(C)c2n1 ZINC000032961526 563446758 /nfs/dbraw/zinc/44/67/58/563446758.db2.gz LLTJGJYBXOSMCJ-OAHLLOKOSA-N 0 0 304.393 4.343 50 0 DIAARN COc1cc2c(cc1OC)C(c1ccccc1)=NC1(CCCC1)C2 ZINC000000079780 563446996 /nfs/dbraw/zinc/44/69/96/563446996.db2.gz BVIFBLQHDFHPFC-UHFFFAOYSA-N 0 0 321.420 4.410 50 0 biogenic DIAARN CCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000000444477 563447463 /nfs/dbraw/zinc/44/74/63/563447463.db2.gz MULIEMOLQWUOOI-UHFFFAOYSA-N 0 0 300.745 4.497 50 0 DIAARN Cc1cc2sc(NC(=O)c3ccc(F)c(F)c3)nc2c(C)c1 ZINC000000440608 563447550 /nfs/dbraw/zinc/44/75/50/563447550.db2.gz GHVULIHIMVRBEB-UHFFFAOYSA-N 0 0 318.348 4.444 50 0 DIAARN COc1ccc(OCCCCCCc2c(C)n[nH]c2C)cc1 ZINC000002484832 563449144 /nfs/dbraw/zinc/44/91/44/563449144.db2.gz VABBPQHDDUNDBZ-UHFFFAOYSA-N 0 0 302.418 4.217 50 0 DIAARN Oc1ccccc1Nc1nc2ccccc2c(NC2CCCC2)n1 ZINC000002876943 563449737 /nfs/dbraw/zinc/44/97/37/563449737.db2.gz NVWKDZUQNHFVIX-UHFFFAOYSA-N 0 0 320.396 4.434 50 0 DIAARN OCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000034772881 563451243 /nfs/dbraw/zinc/45/12/43/563451243.db2.gz XIEMZENDWGRWLP-UHFFFAOYSA-N 0 0 306.192 4.489 50 0 DIAARN CCOCCCNC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000035561728 563453351 /nfs/dbraw/zinc/45/33/51/563453351.db2.gz YMZSYYZRYCQRIN-SFHVURJKSA-N 0 0 318.461 4.048 50 0 DIAARN COCCCNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000035561723 563453417 /nfs/dbraw/zinc/45/34/17/563453417.db2.gz CWTOHGVQDXOKRI-MRXNPFEDSA-N 0 0 324.852 4.003 50 0 DIAARN C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccn1 ZINC000032973735 563454635 /nfs/dbraw/zinc/45/46/35/563454635.db2.gz KSMIESNFJXUKAM-HNNXBMFYSA-N 0 0 320.392 4.152 50 0 DIAARN Cc1ccc(-n2cc3c(n2)c(C)nnc3-c2ccccc2)cc1 ZINC000036627018 563456530 /nfs/dbraw/zinc/45/65/30/563456530.db2.gz TVORTTWECRYBQS-UHFFFAOYSA-N 0 0 300.365 4.099 50 0 DIAARN COc1ccc(C(=O)Cc2ccc(C)cc2)c(Br)c1 ZINC000037444699 563457775 /nfs/dbraw/zinc/45/77/75/563457775.db2.gz ULRXYTSNAQIOPM-UHFFFAOYSA-N 0 0 319.198 4.192 50 0 DIAARN CCCOc1ccc(-c2noc(-c3ccc(OC)cc3)n2)cc1 ZINC000037278936 563458308 /nfs/dbraw/zinc/45/83/08/563458308.db2.gz XTBILWNANYZEFU-UHFFFAOYSA-N 0 0 310.353 4.201 50 0 DIAARN Cc1ccc(C2CC(=O)N(c3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000032985297 563458748 /nfs/dbraw/zinc/45/87/48/563458748.db2.gz WFFIUSDNLYDXCY-UHFFFAOYSA-N 0 0 313.784 4.086 50 0 DIAARN CCCc1cc(C(=O)Oc2ccc(NC(C)=O)cc2)sc1C ZINC000032988075 563458901 /nfs/dbraw/zinc/45/89/01/563458901.db2.gz HRHXENNJBNXSFN-UHFFFAOYSA-N 0 0 317.410 4.187 50 0 DIAARN Cc1nn(-c2cc(C)c3ccccc3n2)c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000037858829 563458967 /nfs/dbraw/zinc/45/89/67/563458967.db2.gz HRJHJSVXCGLCEV-LIRRHRJNSA-N 0 0 303.409 4.333 50 0 DIAARN O=C(CCc1ccco1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032995993 563459493 /nfs/dbraw/zinc/45/94/93/563459493.db2.gz JTOFVPAVPTYTCL-UHFFFAOYSA-N 0 0 303.361 4.422 50 0 DIAARN CCC(CC)C(=O)NCc1ccc(-c2nc(C)cs2)cc1 ZINC000097938058 563460633 /nfs/dbraw/zinc/46/06/33/563460633.db2.gz IEWHZOBQBWXXKQ-UHFFFAOYSA-N 0 0 302.443 4.171 50 0 DIAARN CCc1csc(-c2ccc(CNC(=O)CCC(C)C)cc2)n1 ZINC000097938108 563460800 /nfs/dbraw/zinc/46/08/00/563460800.db2.gz IJWFBKFSMNDRAS-UHFFFAOYSA-N 0 0 316.470 4.425 50 0 DIAARN Cc1cc(N2CCCc3ccccc32)ncc1Br ZINC000042783509 563461477 /nfs/dbraw/zinc/46/14/77/563461477.db2.gz FZWLHTLPQMYTSG-UHFFFAOYSA-N 0 0 303.203 4.237 50 0 DIAARN CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N ZINC000044921068 563464449 /nfs/dbraw/zinc/46/44/49/563464449.db2.gz NNQINXJDBHGDBE-UHFFFAOYSA-N 0 0 319.336 4.081 50 0 DIAARN C[C@@H](O)c1cccc(OCc2csc(C3CCCC3)n2)c1 ZINC000072313881 563465718 /nfs/dbraw/zinc/46/57/18/563465718.db2.gz WTRYDQKBEXKKRM-GFCCVEGCSA-N 0 0 303.427 4.433 50 0 DIAARN CCCCn1c(C)c(C)nc1S[C@@H](C)c1nnc(CC)o1 ZINC000071893955 563467732 /nfs/dbraw/zinc/46/77/32/563467732.db2.gz XOYJOYUSJXDJHS-LBPRGKRZSA-N 0 0 308.451 4.099 50 0 DIAARN Cc1noc(C(C)C)c1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000071914189 563468834 /nfs/dbraw/zinc/46/88/34/563468834.db2.gz USDGDMJAHWYOSH-UHFFFAOYSA-N 0 0 316.405 4.130 50 0 DIAARN Cc1cc(C)n(-c2ccc(SCc3cc(C)ccc3C)nn2)n1 ZINC000011140159 563469766 /nfs/dbraw/zinc/46/97/66/563469766.db2.gz PSOLESLPUHVNFH-UHFFFAOYSA-N 0 0 324.453 4.188 50 0 DIAARN Cc1ccc(NC(=O)N([C@@H](C)c2cccnc2)C2CC2)cc1C ZINC000071921437 563469947 /nfs/dbraw/zinc/46/99/47/563469947.db2.gz WABSWFNLNWMNJW-HNNXBMFYSA-N 0 0 309.413 4.456 50 0 DIAARN Cc1cc(C(=O)NC2CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036775 563469962 /nfs/dbraw/zinc/46/99/62/563469962.db2.gz UTQWGBPBUUMZHW-UHFFFAOYSA-N 0 0 320.367 4.242 50 0 DIAARN Cc1ccc(NC(=O)N([C@H](C)c2cccnc2)C2CC2)cc1C ZINC000071921438 563469985 /nfs/dbraw/zinc/46/99/85/563469985.db2.gz WABSWFNLNWMNJW-OAHLLOKOSA-N 0 0 309.413 4.456 50 0 DIAARN Cc1cccc(CN(Cc2nccs2)Cc2ccccc2)n1 ZINC000055131805 563471597 /nfs/dbraw/zinc/47/15/97/563471597.db2.gz QCPOWJNUIVNZDA-UHFFFAOYSA-N 0 0 309.438 4.049 50 0 DIAARN Cc1nc(C)c(C(=O)N(Cc2cccc(C)c2)C(C)C)s1 ZINC000055327772 563474358 /nfs/dbraw/zinc/47/43/58/563474358.db2.gz PHSKXTKDUGCYKP-UHFFFAOYSA-N 0 0 302.443 4.119 50 0 DIAARN Clc1ccc2[nH]c(-c3ccc(Oc4ncccn4)cc3)nc2c1 ZINC000055344472 563474467 /nfs/dbraw/zinc/47/44/67/563474467.db2.gz AVCODKCCGOXQTQ-UHFFFAOYSA-N 0 0 322.755 4.466 50 0 DIAARN CC[C@H](C)n1nccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000055414196 563475066 /nfs/dbraw/zinc/47/50/66/563475066.db2.gz YOWAWBIOPRVOKO-AWEZNQCLSA-N 0 0 324.428 4.297 50 0 DIAARN Clc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543686 563476615 /nfs/dbraw/zinc/47/66/15/563476615.db2.gz RNZXTRZEUUYLNP-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)o1 ZINC000033049035 563476986 /nfs/dbraw/zinc/47/69/86/563476986.db2.gz WGAGJJUZBUZVQC-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN O=c1[nH]c2ccc(Br)cc2c(F)c1-c1cccs1 ZINC000004625455 563477847 /nfs/dbraw/zinc/47/78/47/563477847.db2.gz HBRBNNTUQTUQKE-UHFFFAOYSA-N 0 0 324.174 4.158 50 0 DIAARN CC1(C)C=CN(c2ccc(Cl)cc2C(F)(F)F)C(=S)N1 ZINC000059124509 563479370 /nfs/dbraw/zinc/47/93/70/563479370.db2.gz XWNKZAGIPLHQCH-UHFFFAOYSA-N 0 0 320.767 4.346 50 0 DIAARN CCc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)o1 ZINC000058745285 563479542 /nfs/dbraw/zinc/47/95/42/563479542.db2.gz BPQBZCGFFFPFRV-UHFFFAOYSA-N 0 0 307.802 4.248 50 0 DIAARN Cc1oc(-c2ccccc2)nc1C[S@@](=O)c1cccs1 ZINC000096482608 563484197 /nfs/dbraw/zinc/48/41/97/563484197.db2.gz CESXAWFUJULXRW-FQEVSTJZSA-N 0 0 303.408 4.019 50 0 DIAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985060 563487008 /nfs/dbraw/zinc/48/70/08/563487008.db2.gz TZZMPDUOYPYSTN-INIZCTEOSA-N 0 0 313.401 4.475 50 0 DIAARN Cc1oc(-c2ccccc2Cl)nc1Cn1ncc2cccnc21 ZINC000067691061 563488653 /nfs/dbraw/zinc/48/86/53/563488653.db2.gz FGYSQJFTIWJBCF-UHFFFAOYSA-N 0 0 324.771 4.096 50 0 DIAARN Cc1nnc(-c2ccccc2-c2ccc(-c3cc[nH]n3)cc2)o1 ZINC000067714019 563489548 /nfs/dbraw/zinc/48/95/48/563489548.db2.gz UCMIXMDLTIKDID-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN Cc1noc(C)c1-c1nccn1CCc1ccccc1Cl ZINC000067741860 563489657 /nfs/dbraw/zinc/48/96/57/563489657.db2.gz QQIPKQIFSDOGJD-UHFFFAOYSA-N 0 0 301.777 4.051 50 0 DIAARN CCc1ccccc1NC(=O)Nc1ccc(-c2noc(C)n2)cc1 ZINC000033077096 563496182 /nfs/dbraw/zinc/49/61/82/563496182.db2.gz HDRURFUJWWZGAK-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(C)c2ccccc21 ZINC000033127070 563497195 /nfs/dbraw/zinc/49/71/95/563497195.db2.gz JCTSNCRQYRZUOL-UHFFFAOYSA-N 0 0 315.804 4.137 50 0 DIAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000033139634 563497627 /nfs/dbraw/zinc/49/76/27/563497627.db2.gz RXLMBIFDZPJURP-UHFFFAOYSA-N 0 0 310.441 4.479 50 0 DIAARN CCc1nn2c(nccc2-c2cccnc2)c1-c1ccc(F)cc1 ZINC000071385033 563498817 /nfs/dbraw/zinc/49/88/17/563498817.db2.gz JEXDGCMXOLLGDA-UHFFFAOYSA-N 0 0 318.355 4.160 50 0 DIAARN Cc1c2cc(C)cc(CNC(=O)C3CC3)c2[nH]c1-c1ccccc1 ZINC000071388723 563499161 /nfs/dbraw/zinc/49/91/61/563499161.db2.gz ABPXGLSPYBUTRR-UHFFFAOYSA-N 0 0 318.420 4.478 50 0 DIAARN COc1ccccc1-c1ccnc2c(-c3ccc(F)cc3)cnn21 ZINC000071375787 563499190 /nfs/dbraw/zinc/49/91/90/563499190.db2.gz QPSIBDJODAESQV-UHFFFAOYSA-N 0 0 319.339 4.211 50 0 DIAARN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1 ZINC000033192633 563500793 /nfs/dbraw/zinc/50/07/93/563500793.db2.gz LBXJZCDICMFHOD-SSDOTTSWSA-N 0 0 313.831 4.157 50 0 DIAARN Cc1ccc([C@@H](c2ccncc2)n2ccnc2-c2ccco2)cc1 ZINC000071776614 563500797 /nfs/dbraw/zinc/50/07/97/563500797.db2.gz YUCOCTMVAPXUDM-IBGZPJMESA-N 0 0 315.376 4.484 50 0 DIAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)no1 ZINC000033254166 563502139 /nfs/dbraw/zinc/50/21/39/563502139.db2.gz SJMIFSRUSPUTHI-UHFFFAOYSA-N 0 0 321.380 4.421 50 0 DIAARN Cc1ccc(-n2nc3oc4ccc(Cl)cc4cc-3c2=O)cc1 ZINC000033261837 563502695 /nfs/dbraw/zinc/50/26/95/563502695.db2.gz GKXUIOWSVYRPTB-UHFFFAOYSA-N 0 0 310.740 4.045 50 0 DIAARN CCn1c2ccccc2nc1Sc1ncnc2ccccc21 ZINC000000034091 563505913 /nfs/dbraw/zinc/50/59/13/563505913.db2.gz BQRIETMSDGQNCO-UHFFFAOYSA-N 0 0 306.394 4.151 50 0 DIAARN Cn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000032698 563506431 /nfs/dbraw/zinc/50/64/31/563506431.db2.gz PHSMKJWXVKHFLM-UHFFFAOYSA-N 0 0 320.179 4.132 50 0 DIAARN CC(C)Oc1cccc(CNc2ncccc2OC(F)F)c1 ZINC000097143603 563506977 /nfs/dbraw/zinc/50/69/77/563506977.db2.gz YHPYXIDJOOBVIN-UHFFFAOYSA-N 0 0 308.328 4.082 50 0 DIAARN O=C(NCCC[C@H]1CCCCO1)Nc1cccc(C(F)F)c1 ZINC000097138246 563507049 /nfs/dbraw/zinc/50/70/49/563507049.db2.gz UFZISNIWQNQBDJ-CQSZACIVSA-N 0 0 312.360 4.095 50 0 DIAARN Cc1cc(NC(=O)Nc2ccsc2)ccc1Br ZINC000097164608 563507846 /nfs/dbraw/zinc/50/78/46/563507846.db2.gz PFPKPIXUJJEZSG-UHFFFAOYSA-N 0 0 311.204 4.463 50 0 DIAARN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000000041693 563508429 /nfs/dbraw/zinc/50/84/29/563508429.db2.gz HYDADZJZERKEJU-RUDMXATFSA-N 0 0 320.161 4.240 50 0 DIAARN c1cn(CCc2csc3c2CCCC3)c(-c2cccnc2)n1 ZINC000077285952 563508508 /nfs/dbraw/zinc/50/85/08/563508508.db2.gz IYIRMSRPUJSLOR-UHFFFAOYSA-N 0 0 309.438 4.128 50 0 DIAARN CC1CCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1 ZINC000000042040 563509230 /nfs/dbraw/zinc/50/92/30/563509230.db2.gz HPNSHUORLHVSHF-UHFFFAOYSA-N 0 0 323.849 4.215 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)CCc1ccccc1 ZINC000077357334 563509356 /nfs/dbraw/zinc/50/93/56/563509356.db2.gz JQSIQFYWHAPXRC-UHFFFAOYSA-N 0 0 307.393 4.364 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N(C)[C@H](C)c1nccs1 ZINC000077355271 563509415 /nfs/dbraw/zinc/50/94/15/563509415.db2.gz JPAKEYLPRONVMX-SNVBAGLBSA-N 0 0 318.373 4.170 50 0 DIAARN Cc1csc(N2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)n1 ZINC000077454974 563510781 /nfs/dbraw/zinc/51/07/81/563510781.db2.gz OZLRNOLWTYCNFN-CYBMUJFWSA-N 0 0 312.442 4.020 50 0 DIAARN Cc1csc(N2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)n1 ZINC000077454977 563510875 /nfs/dbraw/zinc/51/08/75/563510875.db2.gz OZLRNOLWTYCNFN-ZDUSSCGKSA-N 0 0 312.442 4.020 50 0 DIAARN COCCC[C@H]1CCCCN1C(=O)c1cccc2ccccc21 ZINC000077534798 563511769 /nfs/dbraw/zinc/51/17/69/563511769.db2.gz DGGUTXPWXXAYSL-QGZVFWFLSA-N 0 0 311.425 4.261 50 0 DIAARN Cn1c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc2ccccc21 ZINC000077506159 563511888 /nfs/dbraw/zinc/51/18/88/563511888.db2.gz AWGRQSZPIHCJSZ-GOSISDBHSA-N 0 0 322.383 4.295 50 0 DIAARN CCOC(=O)c1c2cc(OC(C)=O)ccc2oc1-c1ccccc1 ZINC000000045218 563512618 /nfs/dbraw/zinc/51/26/18/563512618.db2.gz NLTDUPZYZQRUTN-UHFFFAOYSA-N 0 0 324.332 4.202 50 0 biogenic DIAARN CC(C)c1nnc(CNc2ccccc2C(=O)C2CCCC2)o1 ZINC000097228749 563514055 /nfs/dbraw/zinc/51/40/55/563514055.db2.gz VCAVOSCYNVLRRS-UHFFFAOYSA-N 0 0 313.401 4.178 50 0 DIAARN CCOc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000000058033 563515297 /nfs/dbraw/zinc/51/52/97/563515297.db2.gz WHBPEVFQOZDIGE-UHFFFAOYSA-N 0 0 310.349 4.176 50 0 DIAARN Cc1cc(C)c(C)c(/C=C2\N=C(c3ccccc3)OC2=O)c1C ZINC000000059626 563515804 /nfs/dbraw/zinc/51/58/04/563515804.db2.gz PUYZEQMIROKVAL-WQRHYEAKSA-N 0 0 305.377 4.265 50 0 DIAARN CCOc1ccc(-c2csc(Nc3ccc(F)cn3)n2)cc1 ZINC000033297005 563518473 /nfs/dbraw/zinc/51/84/73/563518473.db2.gz LJHUYPBCTUWBCE-UHFFFAOYSA-N 0 0 315.373 4.487 50 0 DIAARN CCCCCc1cn(-c2ccc(Cl)cc2)nc1C(=O)OCC ZINC000085210494 563520680 /nfs/dbraw/zinc/52/06/80/563520680.db2.gz IXDWLEOTVAZJJG-UHFFFAOYSA-N 0 0 320.820 4.435 50 0 DIAARN CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 ZINC000000076600 563523316 /nfs/dbraw/zinc/52/33/16/563523316.db2.gz UKXWJSHMPRHLIB-UHFFFAOYSA-N 0 0 318.398 4.410 50 0 DIAARN O[C@H](c1nccn1Cc1ccccc1)c1cccc2ccccc21 ZINC000000079159 563523461 /nfs/dbraw/zinc/52/34/61/563523461.db2.gz ZVCXGLSQULKIGC-FQEVSTJZSA-N 0 0 314.388 4.166 50 0 DIAARN CCN(CC)C(=O)[C@H](Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000098081180 563524009 /nfs/dbraw/zinc/52/40/09/563524009.db2.gz VKZIOYVSODMFQY-LJQANCHMSA-N 0 0 310.441 4.325 50 0 DIAARN O=C(OCC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000060769482 563524268 /nfs/dbraw/zinc/52/42/68/563524268.db2.gz CTBBHONWBNMARU-UHFFFAOYSA-N 0 0 315.177 4.095 50 0 DIAARN CCOc1ccccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC000011467630 563526810 /nfs/dbraw/zinc/52/68/10/563526810.db2.gz AJIRTZBIWDRJLY-QGZVFWFLSA-N 0 0 313.422 4.049 50 0 DIAARN c1nc2ccccc2n1-c1ncnc2sc3c(c21)CCCCC3 ZINC000000087762 563527016 /nfs/dbraw/zinc/52/70/16/563527016.db2.gz DCUPRGXIUILECJ-UHFFFAOYSA-N 0 0 320.421 4.299 50 0 DIAARN Fc1ccc(OC(Cl)(Cl)Cl)cc1Br ZINC000095215503 563528812 /nfs/dbraw/zinc/52/88/12/563528812.db2.gz UOINNYSFFRHPQO-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN CC(C)(C)c1ccc(CCCc2nc([C@@H]3CCOC3)no2)cc1 ZINC000096131131 563533527 /nfs/dbraw/zinc/53/35/27/563533527.db2.gz NLTWJEOAYBAUGT-OAHLLOKOSA-N 0 0 314.429 4.046 50 0 DIAARN c1nc(Cc2nc(C3CCCC3)nn2C2CCCCC2)cs1 ZINC000096153310 563534935 /nfs/dbraw/zinc/53/49/35/563534935.db2.gz VAOUSVBKWJMMFI-UHFFFAOYSA-N 0 0 316.474 4.488 50 0 DIAARN Cc1cc(C)cc(NC(=O)N2CC(OCc3ccccc3C)C2)c1 ZINC000096180366 563535810 /nfs/dbraw/zinc/53/58/10/563535810.db2.gz VVFOAJFNANRDFK-UHFFFAOYSA-N 0 0 324.424 4.045 50 0 DIAARN O=C(COC(=O)c1cccc(F)c1)c1ccc2ccccc2c1 ZINC000011565733 563536491 /nfs/dbraw/zinc/53/64/91/563536491.db2.gz JBVJLNNGVOYEFZ-UHFFFAOYSA-N 0 0 308.308 4.019 50 0 DIAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OC)cc1 ZINC000000098384 563538508 /nfs/dbraw/zinc/53/85/08/563538508.db2.gz KZYIHJOQKUEIMB-UHFFFAOYSA-N 0 0 322.364 4.164 50 0 DIAARN Cc1c2ccccc2oc1CNc1nccc(-c2cccnc2)n1 ZINC000097436910 563539294 /nfs/dbraw/zinc/53/92/94/563539294.db2.gz QEEOCXDLMITWDK-UHFFFAOYSA-N 0 0 316.364 4.205 50 0 DIAARN O=C(c1ccc2ncsc2c1)N1CCCC[C@H]1c1cccnc1 ZINC000097570745 563540099 /nfs/dbraw/zinc/54/00/99/563540099.db2.gz YXISONAJVNXZJN-INIZCTEOSA-N 0 0 323.421 4.059 50 0 DIAARN COC(=O)Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000097757248 563541718 /nfs/dbraw/zinc/54/17/18/563541718.db2.gz SWYFTXPIISTGIO-UHFFFAOYSA-N 0 0 312.262 4.227 50 0 DIAARN COC(=O)c1cc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1 ZINC000097756996 563542032 /nfs/dbraw/zinc/54/20/32/563542032.db2.gz OOMZSPJRNUPCMO-UHFFFAOYSA-N 0 0 310.271 4.168 50 0 DIAARN COC(=O)c1cc(-c2cc(F)cc(F)c2)cc(C(F)(F)F)c1 ZINC000097756981 563542070 /nfs/dbraw/zinc/54/20/70/563542070.db2.gz YEBDCTJTIKUYPR-UHFFFAOYSA-N 0 0 316.225 4.437 50 0 DIAARN COC(=O)c1cc(OC)cc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000097757322 563542537 /nfs/dbraw/zinc/54/25/37/563542537.db2.gz WAWSOPGZNVDLCT-UHFFFAOYSA-N 0 0 311.164 4.456 50 0 DIAARN CCOc1ccc(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101014723 563555582 /nfs/dbraw/zinc/55/55/82/563555582.db2.gz CTXPAHHMFCWYAY-HNNXBMFYSA-N 0 0 301.773 4.017 50 0 DIAARN Cc1c2cccc(C)c2oc1C[C@H]1c2ccccc2N(C)C1=O ZINC000101016237 563555853 /nfs/dbraw/zinc/55/58/53/563555853.db2.gz DHJXYFGWKHKJPY-INIZCTEOSA-N 0 0 305.377 4.352 50 0 DIAARN Cc1ccc(OCCSc2nc3ccccc3n2C)cc1C ZINC000011667110 563559587 /nfs/dbraw/zinc/55/95/87/563559587.db2.gz BNNWGECBDINXMS-UHFFFAOYSA-N 0 0 312.438 4.361 50 0 DIAARN O=C(NCc1cccs1)NCc1ccc(-c2ccccc2)cc1 ZINC000014200498 563561079 /nfs/dbraw/zinc/56/10/79/563561079.db2.gz NPCCDKWPPCKURN-UHFFFAOYSA-N 0 0 322.433 4.415 50 0 DIAARN Cc1cccc(OCCSc2nc3ccccc3n2C)c1C ZINC000011667487 563561750 /nfs/dbraw/zinc/56/17/50/563561750.db2.gz KKIBNQOFUGGEGZ-UHFFFAOYSA-N 0 0 312.438 4.361 50 0 DIAARN CSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000000102937 563566785 /nfs/dbraw/zinc/56/67/85/563566785.db2.gz REUCQIABFJJFIC-QMMMGPOBSA-N 0 0 307.488 4.146 50 0 DIAARN CCCN(CCC)c1cc(C)nc2nc(-c3ccccc3C)nn21 ZINC000014610455 563568272 /nfs/dbraw/zinc/56/82/72/563568272.db2.gz DDYVZJNFPBBARH-UHFFFAOYSA-N 0 0 323.444 4.035 50 0 DIAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(C)c(C)c2)n1 ZINC000000107922 563570331 /nfs/dbraw/zinc/57/03/31/563570331.db2.gz QLEZCSZDTRIIRW-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000000146105 563572564 /nfs/dbraw/zinc/57/25/64/563572564.db2.gz RZLXLGUGLZGEFR-UHFFFAOYSA-N 0 0 309.346 4.078 50 0 DIAARN CC(C)(C)C(=O)Oc1cccc(Nc2ncnc3ccccc32)c1 ZINC000000144162 563573269 /nfs/dbraw/zinc/57/32/69/563573269.db2.gz QXUATCXNZUEPAJ-UHFFFAOYSA-N 0 0 321.380 4.325 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1OC ZINC000000149727 563573276 /nfs/dbraw/zinc/57/32/76/563573276.db2.gz DFHJXGXJMJNFSV-JXMROGBWSA-N 0 0 317.772 4.009 50 0 DIAARN CCN(CC)c1ccc2cc(-c3csc(C)n3)c(=O)oc2c1 ZINC000000175253 563574520 /nfs/dbraw/zinc/57/45/20/563574520.db2.gz GOYGMLRWQGILHI-UHFFFAOYSA-N 0 0 314.410 4.071 50 0 DIAARN CSc1ccc(-c2ncnn2-c2cccc(Cl)c2)cc1 ZINC000000180932 563575724 /nfs/dbraw/zinc/57/57/24/563575724.db2.gz KBTAQQSSVHYTNU-UHFFFAOYSA-N 0 0 301.802 4.310 50 0 DIAARN CCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000000200796 563577280 /nfs/dbraw/zinc/57/72/80/563577280.db2.gz IYIFZTVXJKDTJS-OAHLLOKOSA-N 0 0 321.424 4.246 50 0 DIAARN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000000200819 563578040 /nfs/dbraw/zinc/57/80/40/563578040.db2.gz GUBRWNXUTUHYNA-CQSZACIVSA-N 0 0 307.397 4.108 50 0 DIAARN O=C1Nc2ccc(F)cc2/C1=C/c1ccc(Br)cc1 ZINC000000213352 563578386 /nfs/dbraw/zinc/57/83/86/563578386.db2.gz YYDHKTNRGFOTFJ-QPEQYQDCSA-N 0 0 318.145 4.081 50 0 DIAARN O=C1Nc2ccc(Br)cc2/C1=C\c1ccc(F)cc1 ZINC000000213436 563578765 /nfs/dbraw/zinc/57/87/65/563578765.db2.gz GXKFTGCVCJWJET-NTUHNPAUSA-N 0 0 318.145 4.081 50 0 DIAARN CCc1ccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222903 563579390 /nfs/dbraw/zinc/57/93/90/563579390.db2.gz MJXWIVCOGXBIOV-RBUKOAKNSA-N 0 0 318.424 4.295 50 0 DIAARN CC[C@]1(C)OC(=O)N2CCc3c(C)[nH]c4c3c(ccc4C)[C@]21C ZINC000000118019 563580279 /nfs/dbraw/zinc/58/02/79/563580279.db2.gz WDGAFIUVLUWDTP-OALUTQOASA-N 0 0 312.413 4.177 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DIAARN S=C(c1ccc(OCc2ccccc2)cc1)N1CCCCC1 ZINC000000306153 563587138 /nfs/dbraw/zinc/58/71/38/563587138.db2.gz ZFVONRLCKFAKJZ-UHFFFAOYSA-N 0 0 311.450 4.427 50 0 DIAARN CCc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1 ZINC000000307681 563587241 /nfs/dbraw/zinc/58/72/41/563587241.db2.gz AQQGJGLZBZPJDM-UHFFFAOYSA-N 0 0 324.332 4.073 50 0 DIAARN Cc1ccccc1-n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000316034 563587759 /nfs/dbraw/zinc/58/77/59/563587759.db2.gz ICHMGOPBPYWDOO-LLVKDONJSA-N 0 0 324.449 4.189 50 0 DIAARN CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000011692494 563587924 /nfs/dbraw/zinc/58/79/24/563587924.db2.gz YLIYGVKRAJATFU-LJQANCHMSA-N 0 0 324.424 4.257 50 0 DIAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1Cl ZINC000000349480 563589402 /nfs/dbraw/zinc/58/94/02/563589402.db2.gz WGXCYXDWOWFWTM-UHFFFAOYSA-N 0 0 310.784 4.170 50 0 DIAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2cccs2)cc1 ZINC000000349591 563589451 /nfs/dbraw/zinc/58/94/51/563589451.db2.gz AAASRNHSMGFXGC-UHFFFAOYSA-N 0 0 318.401 4.423 50 0 DIAARN O=C(Nc1cccnc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000000363823 563590680 /nfs/dbraw/zinc/59/06/80/563590680.db2.gz OUILVXIAKLJNGN-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1 ZINC000000380508 563591321 /nfs/dbraw/zinc/59/13/21/563591321.db2.gz CJAONGMDERMMFZ-UHFFFAOYSA-N 0 0 313.360 4.254 50 0 DIAARN COc1ccc(-c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1 ZINC000005013120 563595690 /nfs/dbraw/zinc/59/56/90/563595690.db2.gz ZKDKXGDQMJMUTD-UHFFFAOYSA-N 0 0 300.745 4.111 50 0 DIAARN COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2ccccc2O3)c1 ZINC000005083643 563596851 /nfs/dbraw/zinc/59/68/51/563596851.db2.gz LWBRPVKLSAZXGF-UHFFFAOYSA-N 0 0 322.389 4.137 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)on1 ZINC000248081761 563599936 /nfs/dbraw/zinc/59/99/36/563599936.db2.gz JSJMKUSLAUSVMQ-KSZLIROESA-N 0 0 324.424 4.067 50 0 DIAARN CN(Cc1ccsc1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000011838426 563600121 /nfs/dbraw/zinc/60/01/21/563600121.db2.gz WUOMAVMMEVWGDP-UHFFFAOYSA-N 0 0 319.817 4.084 50 0 DIAARN CC(=O)Nc1ccc2oc(C(=O)c3ccc(C)cc3)c(C)c2c1 ZINC000011865300 563600368 /nfs/dbraw/zinc/60/03/68/563600368.db2.gz ZGWKIGBOYKTQJU-UHFFFAOYSA-N 0 0 307.349 4.239 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)cc3F)s2)o1 ZINC000124444256 563600388 /nfs/dbraw/zinc/60/03/88/563600388.db2.gz LWPONRSZWWUNQM-UHFFFAOYSA-N 0 0 317.341 4.414 50 0 DIAARN Cc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccccc1)CC3=O ZINC000011866487 563600780 /nfs/dbraw/zinc/60/07/80/563600780.db2.gz UQKROXKCBJTFSK-OAHLLOKOSA-N 0 0 320.344 4.116 50 0 DIAARN Cc1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)o1 ZINC000011916254 563601658 /nfs/dbraw/zinc/60/16/58/563601658.db2.gz WUUUIRFVSPLGEF-UHFFFAOYSA-N 0 0 307.353 4.222 50 0 DIAARN O=C(Nc1ccccc1Cl)c1cc(-c2cccs2)on1 ZINC000011914702 563601851 /nfs/dbraw/zinc/60/18/51/563601851.db2.gz CDJHCYVXZIJEDS-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C)no2)cc1 ZINC000011916987 563602286 /nfs/dbraw/zinc/60/22/86/563602286.db2.gz DBXQGMSBNQSMDA-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN Cc1cccc(C(=O)Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000011990508 563603484 /nfs/dbraw/zinc/60/34/84/563603484.db2.gz UEZLILLIJBEEJZ-UHFFFAOYSA-N 0 0 323.421 4.131 50 0 DIAARN CSc1nc2c(c(Nc3cccc(Cl)c3C)n1)CCC2 ZINC000012016494 563603656 /nfs/dbraw/zinc/60/36/56/563603656.db2.gz PZDOMQOIQOPSFB-UHFFFAOYSA-N 0 0 305.834 4.393 50 0 DIAARN Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000135028512 563607613 /nfs/dbraw/zinc/60/76/13/563607613.db2.gz GMEWKOLCUYSVQV-UONOGXRCSA-N 0 0 316.470 4.058 50 0 DIAARN COc1ccccc1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000000295443 563607688 /nfs/dbraw/zinc/60/76/88/563607688.db2.gz VAYFGJGHZIODQG-UHFFFAOYSA-N 0 0 303.361 4.199 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2 ZINC000000414147 563611507 /nfs/dbraw/zinc/61/15/07/563611507.db2.gz ZBVRXGQDSNUTQR-UHFFFAOYSA-N 0 0 304.393 4.228 50 0 DIAARN CSc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000000423957 563612185 /nfs/dbraw/zinc/61/21/85/563612185.db2.gz IBPGQRQERVNREJ-MRXNPFEDSA-N 0 0 319.426 4.326 50 0 DIAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2)cc1C ZINC000000429398 563613322 /nfs/dbraw/zinc/61/33/22/563613322.db2.gz IZWNGNNFNMTTGN-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN Cc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000000430400 563613865 /nfs/dbraw/zinc/61/38/65/563613865.db2.gz IJDRJOCCIOBSTP-UYRXBGFRSA-N 0 0 313.356 4.493 50 0 DIAARN FC(F)Oc1ccc(NC(=S)N2CCc3ccccc32)cc1 ZINC000000240090 563616376 /nfs/dbraw/zinc/61/63/76/563616376.db2.gz KYSVJZLMXOGHNM-UHFFFAOYSA-N 0 0 320.364 4.048 50 0 DIAARN C[C@H](CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC000079092700 563617841 /nfs/dbraw/zinc/61/78/41/563617841.db2.gz YSVPQHZYNCGEPO-MRXNPFEDSA-N 0 0 323.440 4.204 50 0 DIAARN Oc1cccc(Cn2c3ccccc3nc2-c2cccc(O)c2)c1 ZINC000000462806 563617909 /nfs/dbraw/zinc/61/79/09/563617909.db2.gz MASQLINNHLINPX-UHFFFAOYSA-N 0 0 316.360 4.163 50 0 DIAARN O=c1[nH]cc(Br)c2sc(-c3ccccc3)cc21 ZINC000146068831 563618787 /nfs/dbraw/zinc/61/87/87/563618787.db2.gz JWHAVYSRYAOUCX-UHFFFAOYSA-N 0 0 306.184 4.019 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000510537 563618835 /nfs/dbraw/zinc/61/88/35/563618835.db2.gz CPXTZNZXELWHPM-DHZHZOJOSA-N 0 0 301.773 4.309 50 0 DIAARN CC(C)C[C@H](Nc1ccccc1)c1nnnn1C1CCCCC1 ZINC000001020821 563619624 /nfs/dbraw/zinc/61/96/24/563619624.db2.gz FOKONLLSJNFPNQ-KRWDZBQOSA-N 0 0 313.449 4.378 50 0 DIAARN O=C(C[C@@H](c1cccs1)[C@@H]1CCCCC1=O)c1ccco1 ZINC000001473374 563620804 /nfs/dbraw/zinc/62/08/04/563620804.db2.gz LADJMFXETZURBR-QWHCGFSZSA-N 0 0 302.395 4.457 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1C ZINC000002625001 563621421 /nfs/dbraw/zinc/62/14/21/563621421.db2.gz UBPQNYWSVQUPEP-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCCC2)cc1 ZINC000005617722 563624197 /nfs/dbraw/zinc/62/41/97/563624197.db2.gz SOUIKOXRBQKGTD-UHFFFAOYSA-N 0 0 315.438 4.133 50 0 DIAARN Cc1nc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000206669668 563624199 /nfs/dbraw/zinc/62/41/99/563624199.db2.gz JLQJDMQYGTXHSK-CQSZACIVSA-N 0 0 318.417 4.001 50 0 DIAARN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F ZINC000017361128 563627329 /nfs/dbraw/zinc/62/73/29/563627329.db2.gz YAVJEMCQBYOJQM-UHFFFAOYSA-N 0 0 301.361 4.390 50 0 DIAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000000267067 563629210 /nfs/dbraw/zinc/62/92/10/563629210.db2.gz HLGTXXMQNFWVTI-UHFFFAOYSA-N 0 0 302.377 4.237 50 0 DIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000000505795 563629858 /nfs/dbraw/zinc/62/98/58/563629858.db2.gz NMAIMVCGVBBJQR-AWEZNQCLSA-N 0 0 313.397 4.226 50 0 DIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000000441592 563630388 /nfs/dbraw/zinc/63/03/88/563630388.db2.gz XTCYKXYLOUABIM-UHFFFAOYSA-N 0 0 306.152 4.122 50 0 DIAARN O=C(/C=C/c1ccco1)NCc1ccccc1-c1ccsc1 ZINC000206825021 563638346 /nfs/dbraw/zinc/63/83/46/563638346.db2.gz GQIHYTVFOBXUDN-BQYQJAHWSA-N 0 0 309.390 4.338 50 0 DIAARN O=C(c1ccoc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206879979 563639565 /nfs/dbraw/zinc/63/95/65/563639565.db2.gz HYWJEOYHPFKWST-CQSZACIVSA-N 0 0 303.789 4.343 50 0 DIAARN COc1ccc(COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000000488991 563649243 /nfs/dbraw/zinc/64/92/43/563649243.db2.gz PWALCAHAMNUZDF-UHFFFAOYSA-N 0 0 324.376 4.306 50 0 biogenic DIAARN c1ccc(-c2nnc(-c3cccnc3)nc2-c2ccccc2)cc1 ZINC000000494065 563650103 /nfs/dbraw/zinc/65/01/03/563650103.db2.gz JPZBMJQHBVWLBN-UHFFFAOYSA-N 0 0 310.360 4.268 50 0 DIAARN CC(C)CN1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C ZINC000000494992 563650598 /nfs/dbraw/zinc/65/05/98/563650598.db2.gz LGLVOCJARXFZAT-KRWDZBQOSA-N 0 0 324.852 4.115 50 0 DIAARN CCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1 ZINC000000498650 563651775 /nfs/dbraw/zinc/65/17/75/563651775.db2.gz AVNVQEXVEYRDNR-UHFFFAOYSA-N 0 0 309.369 4.068 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000235832 563653552 /nfs/dbraw/zinc/65/35/52/563653552.db2.gz NGUSIXXSBWXPQF-UHFFFAOYSA-N 0 0 323.417 4.463 50 0 DIAARN O=C1[C@@H]2CCCC2=Nc2ccccc2N1Cc1ccc(F)cc1 ZINC000101946710 563657532 /nfs/dbraw/zinc/65/75/32/563657532.db2.gz GIDPJZAAUXJREQ-OAHLLOKOSA-N 0 0 308.356 4.245 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3C)C2)cc1 ZINC000102047567 563657777 /nfs/dbraw/zinc/65/77/77/563657777.db2.gz JEUDAJWCEFQSSV-IBGZPJMESA-N 0 0 316.408 4.205 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3C)C2)cc1 ZINC000102047562 563657841 /nfs/dbraw/zinc/65/78/41/563657841.db2.gz JEUDAJWCEFQSSV-LJQANCHMSA-N 0 0 316.408 4.205 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3sccc3C)C2)cc1 ZINC000102046803 563657883 /nfs/dbraw/zinc/65/78/83/563657883.db2.gz RDSMCTRIPWRELI-INIZCTEOSA-N 0 0 322.437 4.266 50 0 DIAARN c1ccc(CNc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000509842 563658909 /nfs/dbraw/zinc/65/89/09/563658909.db2.gz NZWWYUMFUATSTK-UHFFFAOYSA-N 0 0 312.376 4.304 50 0 in-vivo DIAARN CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000515933 563661267 /nfs/dbraw/zinc/66/12/67/563661267.db2.gz HMXKQQIPTHGGJI-UHFFFAOYSA-N 0 0 312.316 4.075 50 0 DIAARN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1Cl ZINC000000516122 563661495 /nfs/dbraw/zinc/66/14/95/563661495.db2.gz WGWPQGQMPVAACL-UHFFFAOYSA-N 0 0 323.783 4.358 50 0 DIAARN CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC ZINC000000526741 563664836 /nfs/dbraw/zinc/66/48/36/563664836.db2.gz RSUBSFUTPHFLEX-UHFFFAOYSA-N 0 0 315.394 4.186 50 0 biogenic DIAARN c1ccc(CNc2nc(-c3ccccn3)nc3ccccc32)cc1 ZINC000000530416 563665669 /nfs/dbraw/zinc/66/56/69/563665669.db2.gz LVDCGGJQSCVQAI-UHFFFAOYSA-N 0 0 312.376 4.304 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000014184564 563665911 /nfs/dbraw/zinc/66/59/11/563665911.db2.gz BCWPODDUMQOMTI-SNVBAGLBSA-N 0 0 311.278 4.336 50 0 DIAARN CC(=O)c1c(C)n(-c2cccc3cccnc32)c(C)c1C(C)=O ZINC000000535877 563667212 /nfs/dbraw/zinc/66/72/12/563667212.db2.gz YHCBWNXBJITCDQ-UHFFFAOYSA-N 0 0 306.365 4.048 50 0 DIAARN CCOc1ccc2[nH]c3c(ncnc3NCc3ccccc3)c2c1 ZINC000000540859 563668419 /nfs/dbraw/zinc/66/84/19/563668419.db2.gz CYPTXPZZOHRRQB-UHFFFAOYSA-N 0 0 318.380 4.122 50 0 DIAARN O=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000000542552 563668423 /nfs/dbraw/zinc/66/84/23/563668423.db2.gz VPGFJRUBGHVRSX-UHFFFAOYSA-N 0 0 301.729 4.123 50 0 DIAARN Cc1ccc(C(=O)Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000552471 563670046 /nfs/dbraw/zinc/67/00/46/563670046.db2.gz VKQMQORETWGNSA-UHFFFAOYSA-N 0 0 323.421 4.131 50 0 DIAARN O=C(Nc1ccccc1F)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000046729182 563673180 /nfs/dbraw/zinc/67/31/80/563673180.db2.gz HESVSOGVPPMCHR-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl ZINC000000577976 563674914 /nfs/dbraw/zinc/67/49/14/563674914.db2.gz CTWXELJSCNBTLO-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN CCn1c2ccccc2s/c1=N/C(=O)c1ccc(Cl)s1 ZINC000012180876 563681063 /nfs/dbraw/zinc/68/10/63/563681063.db2.gz YLDXPSOGUXSFBG-JQIJEIRASA-N 0 0 322.842 4.179 50 0 DIAARN C[C@@H]1CCN(C(=O)/C=C/c2ccccn2)c2ccccc2S1 ZINC000047519568 563681099 /nfs/dbraw/zinc/68/10/99/563681099.db2.gz KSXAHJOSUTXPDU-ATWMFIQVSA-N 0 0 310.422 4.012 50 0 DIAARN COc1cccc2sc(NC(=O)c3cc(C)cc(C)c3)nc21 ZINC000003163502 563682127 /nfs/dbraw/zinc/68/21/27/563682127.db2.gz BZUKQJJRHKDXKG-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN Cc1csc(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 ZINC000211143830 563682880 /nfs/dbraw/zinc/68/28/80/563682880.db2.gz SXUCOIRYNCCWHG-HNNXBMFYSA-N 0 0 317.479 4.377 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)N([C@H](C)c2ccccn2)C2CC2)C1(C)C ZINC000107338109 563683389 /nfs/dbraw/zinc/68/33/89/563683389.db2.gz GBYASDUHXQUVPI-KYJSFNMBSA-N 0 0 312.457 4.372 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C)c3)n[nH]2)cc1 ZINC000044837797 563684855 /nfs/dbraw/zinc/68/48/55/563684855.db2.gz ZSBKNCGWJHIXLN-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN CSc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 ZINC000044837841 563684873 /nfs/dbraw/zinc/68/48/73/563684873.db2.gz WWUCUDJHGRQTJP-UHFFFAOYSA-N 0 0 323.421 4.359 50 0 DIAARN CCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000044845508 563685487 /nfs/dbraw/zinc/68/54/87/563685487.db2.gz HSNJSOUAZYMRJB-UHFFFAOYSA-N 0 0 304.777 4.060 50 0 DIAARN Cc1ccc2c(ccn2CCC(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000044900743 563686166 /nfs/dbraw/zinc/68/61/66/563686166.db2.gz RIRHGYSBVDFBHT-UHFFFAOYSA-N 0 0 317.392 4.460 50 0 DIAARN Cc1[nH]nc2c1[C@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000044893384 563686198 /nfs/dbraw/zinc/68/61/98/563686198.db2.gz IESPUGYWEZQKBC-HNNXBMFYSA-N 0 0 301.415 4.266 50 0 DIAARN O=C1c2cccc3cccc(c23)N1C[C@@H](O)c1ccc(Cl)cc1 ZINC000045821500 563690233 /nfs/dbraw/zinc/69/02/33/563690233.db2.gz JPRJQNYCDFVFHR-QGZVFWFLSA-N 0 0 323.779 4.187 50 0 DIAARN CCOC(=O)c1nc2ccccc2nc1Nc1cccc(C)c1C ZINC000045901039 563690618 /nfs/dbraw/zinc/69/06/18/563690618.db2.gz XKUOTSHHPJQQQN-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000046017908 563691208 /nfs/dbraw/zinc/69/12/08/563691208.db2.gz OQQQRHCJEWEWRE-OAHLLOKOSA-N 0 0 305.830 4.308 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1C ZINC000051354560 563691297 /nfs/dbraw/zinc/69/12/97/563691297.db2.gz OETGLUGHRKGENF-UHFFFAOYSA-N 0 0 308.740 4.440 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000046018037 563691599 /nfs/dbraw/zinc/69/15/99/563691599.db2.gz WPNQDFNEKRWMSG-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000046017975 563691642 /nfs/dbraw/zinc/69/16/42/563691642.db2.gz GWRVAIKJUXHLJR-FQEVSTJZSA-N 0 0 323.436 4.300 50 0 DIAARN O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018057 563691795 /nfs/dbraw/zinc/69/17/95/563691795.db2.gz OAEOXIRHTLHFNG-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN Fc1cc2cccnc2c(CSc2ccc(Cl)nn2)c1 ZINC000046029408 563692042 /nfs/dbraw/zinc/69/20/42/563692042.db2.gz WTUSWNJHXKWFCD-UHFFFAOYSA-N 0 0 305.765 4.110 50 0 DIAARN CCSc1ccccc1NC(=O)N[C@H](C)c1ccccn1 ZINC000047856495 563692465 /nfs/dbraw/zinc/69/24/65/563692465.db2.gz NCEYXOMLTHXBPV-GFCCVEGCSA-N 0 0 301.415 4.076 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2Br)C1 ZINC000048312029 563695902 /nfs/dbraw/zinc/69/59/02/563695902.db2.gz LBUFULDSXKVZDQ-MNOVXSKESA-N 0 0 311.223 4.149 50 0 DIAARN CC(C)(C)[C@@H](NC(=O)NCc1ccccc1F)c1cccs1 ZINC000048333037 563696431 /nfs/dbraw/zinc/69/64/31/563696431.db2.gz CELUIDYBAYTJJA-HNNXBMFYSA-N 0 0 320.433 4.474 50 0 DIAARN COc1cc(C)c(NC(=O)N(CCC(C)C)C2CC2)cc1OC ZINC000048332798 563696566 /nfs/dbraw/zinc/69/65/66/563696566.db2.gz VWCJKQOXUHIWQD-UHFFFAOYSA-N 0 0 320.433 4.055 50 0 DIAARN O=C(CSc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1 ZINC000048339839 563697167 /nfs/dbraw/zinc/69/71/67/563697167.db2.gz NKEWVCWVMBDPFT-KRWDZBQOSA-N 0 0 315.413 4.282 50 0 DIAARN CCc1nnc(CSc2nc(-c3ccccc3)cs2)o1 ZINC000048397651 563698070 /nfs/dbraw/zinc/69/80/70/563698070.db2.gz OFUVTGXONPUBGB-UHFFFAOYSA-N 0 0 303.412 4.048 50 0 DIAARN CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(F)cc1F ZINC000048463564 563698850 /nfs/dbraw/zinc/69/88/50/563698850.db2.gz JYQLWDMSIMGSEE-GFCCVEGCSA-N 0 0 319.351 4.243 50 0 DIAARN CCCCCOc1ccc([C@H](C)NC(=O)C(C)C)cc1OC ZINC000048518139 563699397 /nfs/dbraw/zinc/69/93/97/563699397.db2.gz QJUIAIGNALHJMT-AWEZNQCLSA-N 0 0 307.434 4.097 50 0 DIAARN CCn1c2ccccc2nc1-c1cnc(-c2ccccc2)nc1 ZINC000048879737 563700057 /nfs/dbraw/zinc/70/00/57/563700057.db2.gz CWXGIWPUGFUGRA-UHFFFAOYSA-N 0 0 300.365 4.180 50 0 DIAARN C[C@H](c1cccs1)N(C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000048858727 563700087 /nfs/dbraw/zinc/70/00/87/563700087.db2.gz IHAIJKMJQWEICU-NWDGAFQWSA-N 0 0 308.472 4.143 50 0 DIAARN C[C@H](Cc1ccsc1)NC(=O)N(C)[C@@H](C)c1cccs1 ZINC000048858724 563700091 /nfs/dbraw/zinc/70/00/91/563700091.db2.gz IHAIJKMJQWEICU-NEPJUHHUSA-N 0 0 308.472 4.143 50 0 DIAARN CCONC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000049346506 563700917 /nfs/dbraw/zinc/70/09/17/563700917.db2.gz CMIDCIVKFFYAIO-UHFFFAOYSA-N 0 0 316.209 4.403 50 0 DIAARN Cn1ncc2c1NC(=O)C[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000049549247 563701754 /nfs/dbraw/zinc/70/17/54/563701754.db2.gz QUGFGIACMUJPKU-INIZCTEOSA-N 0 0 319.364 4.336 50 0 DIAARN COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccccc3)c2c1 ZINC000049581092 563702408 /nfs/dbraw/zinc/70/24/08/563702408.db2.gz BVACXZYLXCMRAA-VAWYXSNFSA-N 0 0 321.376 4.205 50 0 DIAARN O=C(NC1CC1)[C@H](SCc1ccccc1)c1ccc(F)cc1 ZINC000012262184 563703635 /nfs/dbraw/zinc/70/36/35/563703635.db2.gz WJTCMYVQNOWCGP-QGZVFWFLSA-N 0 0 315.413 4.079 50 0 DIAARN COc1ccc(CN2CCCC[C@@H]2c2ccccn2)cc1Cl ZINC000215140467 563704033 /nfs/dbraw/zinc/70/40/33/563704033.db2.gz XXOWUBRSQIWBMJ-QGZVFWFLSA-N 0 0 316.832 4.471 50 0 DIAARN CCc1cc(CN(C)Cc2ccc([C@@H]3CCCCO3)s2)on1 ZINC000215227852 563704481 /nfs/dbraw/zinc/70/44/81/563704481.db2.gz ZIEGCXFAIREQEP-INIZCTEOSA-N 0 0 320.458 4.172 50 0 DIAARN CC(C)c1ccc(-n2cc(CN3CCC(F)(F)CC3)cn2)cc1 ZINC000215305979 563705464 /nfs/dbraw/zinc/70/54/64/563705464.db2.gz ZWIDOZAYPZFMFA-UHFFFAOYSA-N 0 0 319.399 4.227 50 0 DIAARN Cc1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)on1 ZINC000215313587 563705756 /nfs/dbraw/zinc/70/57/56/563705756.db2.gz CMJYFMXKBGLFEM-LJQANCHMSA-N 0 0 309.413 4.220 50 0 DIAARN CC[C@H](c1cccnc1)N(C)C(=O)c1ccc2oc(C)cc2c1 ZINC000215302670 563705878 /nfs/dbraw/zinc/70/58/78/563705878.db2.gz FTBHKKOWIXHZEC-QGZVFWFLSA-N 0 0 308.381 4.360 50 0 DIAARN Cc1nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000006852582 563706835 /nfs/dbraw/zinc/70/68/35/563706835.db2.gz SXBFAFBSBQSPJQ-UHFFFAOYSA-N 0 0 304.321 4.135 50 0 DIAARN C[C@H](c1ccon1)N(C)Cc1ccc2cccc(Cl)c2n1 ZINC000216252538 563708262 /nfs/dbraw/zinc/70/82/62/563708262.db2.gz ZFGUTBFYNNXSKO-LLVKDONJSA-N 0 0 301.777 4.069 50 0 DIAARN CCOc1ccc(-c2nnc(SC)n2-c2ccccc2)cc1 ZINC000000732269 563712702 /nfs/dbraw/zinc/71/27/02/563712702.db2.gz BRLPRJYJAADVLX-UHFFFAOYSA-N 0 0 311.410 4.055 50 0 DIAARN COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1C ZINC000007069471 563712999 /nfs/dbraw/zinc/71/29/99/563712999.db2.gz JJDXCNMSDCIZFY-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN FC(F)(F)c1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000055543095 563718151 /nfs/dbraw/zinc/71/81/51/563718151.db2.gz QPXLZWNVCODEKF-UHFFFAOYSA-N 0 0 320.358 4.028 50 0 DIAARN CN(Cc1c(F)cccc1Cl)c1ncnc2ccccc21 ZINC000008036439 563718517 /nfs/dbraw/zinc/71/85/17/563718517.db2.gz WBOVITXQNFHFIG-UHFFFAOYSA-N 0 0 301.752 4.059 50 0 DIAARN O=C(Nc1ccc(F)cc1Cl)c1cccc2cccnc21 ZINC000008073496 563719181 /nfs/dbraw/zinc/71/91/81/563719181.db2.gz LKHJAXOYHRJVBR-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025518228 563728551 /nfs/dbraw/zinc/72/85/51/563728551.db2.gz PJXSAISZPKYFCX-QGZVFWFLSA-N 0 0 304.393 4.015 50 0 DIAARN O=C(NC1CCC(c2ccccc2)CC1)c1[nH]nc2ccccc21 ZINC000025647126 563729112 /nfs/dbraw/zinc/72/91/12/563729112.db2.gz DSIUTGXKORHYSV-UHFFFAOYSA-N 0 0 319.408 4.019 50 0 DIAARN CC1=CC[C@@H]2CN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC000223719500 563735873 /nfs/dbraw/zinc/73/58/73/563735873.db2.gz ACGIWNSVNARDFX-MOPGFXCFSA-N 0 0 324.468 4.105 50 0 DIAARN COCCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCC[C@H]1C ZINC000225437993 563755111 /nfs/dbraw/zinc/75/51/11/563755111.db2.gz HXADEOUVCSFKGW-DOMZBBRYSA-N 0 0 310.825 4.009 50 0 DIAARN CC(C)(C)[C@H]1CCCN(C(=O)c2sccc2OC(F)F)C1 ZINC000225444349 563755235 /nfs/dbraw/zinc/75/52/35/563755235.db2.gz DGMGYAVFUXKOEU-JTQLQIEISA-N 0 0 317.401 4.248 50 0 DIAARN CN(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C(F)(F)F ZINC000225453037 563756155 /nfs/dbraw/zinc/75/61/55/563756155.db2.gz SYROXRGENMQIMV-UHFFFAOYSA-N 0 0 307.743 4.277 50 0 DIAARN O=C(NC[C@H]1CCCC(F)(F)C1)c1csc2c1CCCC2 ZINC000225720510 563761392 /nfs/dbraw/zinc/76/13/92/563761392.db2.gz VCBXIKIKNLBRCI-NSHDSACASA-N 0 0 313.413 4.182 50 0 DIAARN CC(C)(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000012441544 563774943 /nfs/dbraw/zinc/77/49/43/563774943.db2.gz GCPOWJGLRONERV-IBGZPJMESA-N 0 0 323.436 4.198 50 0 DIAARN c1ccc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)nc1 ZINC000000018764 563774954 /nfs/dbraw/zinc/77/49/54/563774954.db2.gz DPPKPCLKZOLTMB-UHFFFAOYSA-N 0 0 310.360 4.268 50 0 DIAARN CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000012442799 563775088 /nfs/dbraw/zinc/77/50/88/563775088.db2.gz CMNJYSBAGBCSTO-UHFFFAOYSA-N 0 0 316.407 4.377 50 0 DIAARN C[C@@H]1C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@H]2CC1=O ZINC000240871490 563776722 /nfs/dbraw/zinc/77/67/22/563776722.db2.gz IKXILDNPCZPPRV-ACOPLKQNSA-N 0 0 304.474 4.205 50 0 DIAARN CC(C)c1ncc(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)s1 ZINC000242389384 563778518 /nfs/dbraw/zinc/77/85/18/563778518.db2.gz ZWRREJQCJQBONZ-KGLIPLIRSA-N 0 0 306.475 4.451 50 0 DIAARN CC(C)c1cc(CN(C)Cc2cc(C3CCCCC3)no2)no1 ZINC000244641214 563779142 /nfs/dbraw/zinc/77/91/42/563779142.db2.gz GLKXPAHCTGLLIX-UHFFFAOYSA-N 0 0 317.433 4.466 50 0 DIAARN Cc1csc(NC(=O)C2(c3cccc(F)c3)CCCC2)n1 ZINC000015007749 563780661 /nfs/dbraw/zinc/78/06/61/563780661.db2.gz GTNIXRSZSWBTJB-UHFFFAOYSA-N 0 0 304.390 4.041 50 0 DIAARN Oc1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000892012 563781710 /nfs/dbraw/zinc/78/17/10/563781710.db2.gz FHUJJWYALQGGRJ-UHFFFAOYSA-N 0 0 314.348 4.141 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)NCc2nc3ccccc3s2)C1(C)C ZINC000025155209 563784210 /nfs/dbraw/zinc/78/42/10/563784210.db2.gz NCZIUHKCUFIPEF-LRDDRELGSA-N 0 0 314.454 4.151 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000000998923 563786309 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FC(F)(F)c1cccc2sc(NCc3ccccn3)nc21 ZINC000085436309 563837299 /nfs/dbraw/zinc/83/72/99/563837299.db2.gz WGIDZNFLADEZOF-UHFFFAOYSA-N 0 0 309.316 4.322 50 0 DIAARN Cc1noc(C)c1CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000012819841 563837359 /nfs/dbraw/zinc/83/73/59/563837359.db2.gz JNBKRSWGIHTSHS-UHFFFAOYSA-N 0 0 320.805 4.022 50 0 DIAARN CC[C@H](C(=O)NCCc1cccc(Cl)c1)c1ccccc1 ZINC000001466449 563837368 /nfs/dbraw/zinc/83/73/68/563837368.db2.gz YHSZXNUPSURHFP-KRWDZBQOSA-N 0 0 301.817 4.193 50 0 DIAARN O=C(Nc1ccccc1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000085557814 563839476 /nfs/dbraw/zinc/83/94/76/563839476.db2.gz RHKNKIIFFZIDNY-UHFFFAOYSA-N 0 0 322.408 4.078 50 0 DIAARN C[C@H]1CCCCN1c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000014268936 563840019 /nfs/dbraw/zinc/84/00/19/563840019.db2.gz OSPMHIQHSYCYJN-INIZCTEOSA-N 0 0 324.424 4.083 50 0 DIAARN CCc1ccc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)[nH]1 ZINC000220001752 563843449 /nfs/dbraw/zinc/84/34/49/563843449.db2.gz OFDPCOVZWWPJLG-HXUWFJFHSA-N 0 0 310.441 4.017 50 0 DIAARN CCOc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000012828488 563843852 /nfs/dbraw/zinc/84/38/52/563843852.db2.gz GSYPRFFVZQUMPV-UHFFFAOYSA-N 0 0 316.426 4.063 50 0 DIAARN O=C(NCc1ccccc1F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012854223 563844802 /nfs/dbraw/zinc/84/48/02/563844802.db2.gz GCZNHAUIWQKOLO-UHFFFAOYSA-N 0 0 322.383 4.116 50 0 DIAARN CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCc2ccccc21 ZINC000012865973 563845639 /nfs/dbraw/zinc/84/56/39/563845639.db2.gz WYELWIUMJQOTCA-INIZCTEOSA-N 0 0 303.764 4.239 50 0 DIAARN COc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000000399578 563846788 /nfs/dbraw/zinc/84/67/88/563846788.db2.gz DYCVXNVAFBILAQ-UHFFFAOYSA-N 0 0 306.749 4.001 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCc2ccccc21 ZINC000012872884 563850529 /nfs/dbraw/zinc/85/05/29/563850529.db2.gz OZCMWAXHFCBLHQ-CQSZACIVSA-N 0 0 312.438 4.081 50 0 DIAARN Cc1ccccc1[C@@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000012880637 563851416 /nfs/dbraw/zinc/85/14/16/563851416.db2.gz QQPZFXNSXSJCSZ-KRWDZBQOSA-N 0 0 322.437 4.198 50 0 DIAARN Cc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)c(C)c1 ZINC000012883896 563852866 /nfs/dbraw/zinc/85/28/66/563852866.db2.gz IBVBFVOYXQJXLI-UHFFFAOYSA-N 0 0 310.372 4.196 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000012904092 563853147 /nfs/dbraw/zinc/85/31/47/563853147.db2.gz OVDMOQQUQPFUIT-SNVBAGLBSA-N 0 0 312.196 4.315 50 0 DIAARN Cc1c2cc(Br)ccc2oc1C(=O)c1ccc[nH]1 ZINC000012904070 563853454 /nfs/dbraw/zinc/85/34/54/563853454.db2.gz VJDWLLWJIGPIIN-UHFFFAOYSA-N 0 0 304.143 4.063 50 0 DIAARN COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012918700 563854009 /nfs/dbraw/zinc/85/40/09/563854009.db2.gz KTSNERTWWSIQGS-QGZVFWFLSA-N 0 0 315.800 4.230 50 0 DIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000012923958 563854585 /nfs/dbraw/zinc/85/45/85/563854585.db2.gz CDCOOBWNLYHPOP-UHFFFAOYSA-N 0 0 307.393 4.085 50 0 DIAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3)c12 ZINC000012928181 563854976 /nfs/dbraw/zinc/85/49/76/563854976.db2.gz FQFWGHUTRZMTTK-UHFFFAOYSA-N 0 0 319.320 4.044 50 0 DIAARN O=C(N[C@@H](c1ccsc1)c1cccs1)[C@@H]1CC=CCC1 ZINC000575414672 563856458 /nfs/dbraw/zinc/85/64/58/563856458.db2.gz IJMGLNFIARXHNR-DOMZBBRYSA-N 0 0 303.452 4.372 50 0 DIAARN COc1ccc(OC)c(C(=O)C=C(C)Nc2ccc(C)cc2)c1 ZINC000005798810 563856468 /nfs/dbraw/zinc/85/64/68/563856468.db2.gz VZNXDRKROPOTBZ-SDNWHVSQSA-N 0 0 311.381 4.211 50 0 DIAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCc2ccccc21 ZINC000012949592 563858368 /nfs/dbraw/zinc/85/83/68/563858368.db2.gz ALPVNEZSRGLDDI-KXDMBUCYSA-N 0 0 309.453 4.192 50 0 DIAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000016148082 563859312 /nfs/dbraw/zinc/85/93/12/563859312.db2.gz LJFVACVDDUHNBB-GFCCVEGCSA-N 0 0 307.390 4.140 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1O ZINC000075093995 563859396 /nfs/dbraw/zinc/85/93/96/563859396.db2.gz QSJSPWSYQXBWRY-UHFFFAOYSA-N 0 0 309.337 4.268 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1[nH]nc(C2CC2)c1Cl ZINC000075110452 563860052 /nfs/dbraw/zinc/86/00/52/563860052.db2.gz ADSQKSBISXDORU-UHFFFAOYSA-N 0 0 310.184 4.155 50 0 DIAARN N#CN(Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000075108854 563860210 /nfs/dbraw/zinc/86/02/10/563860210.db2.gz CSRQGGHWEVXNFP-UHFFFAOYSA-N 0 0 305.406 4.222 50 0 DIAARN CC(C)(C)c1cc(C(=O)Nc2nncs2)cc(C(C)(C)C)c1 ZINC000075259661 563861761 /nfs/dbraw/zinc/86/17/61/563861761.db2.gz LAXZRHOCQPEZBR-UHFFFAOYSA-N 0 0 317.458 4.385 50 0 DIAARN c1ccc2[nH]c(SCCCCCCCC3OCCO3)nc2c1 ZINC000075250686 563861967 /nfs/dbraw/zinc/86/19/67/563861967.db2.gz ZOMOQMSTAVCKOI-UHFFFAOYSA-N 0 0 320.458 4.369 50 0 DIAARN CC(C)CN1CS[C@@H](COc2cccc3ccccc32)C1 ZINC000075262211 563862392 /nfs/dbraw/zinc/86/23/92/563862392.db2.gz WSRJRSMMIAOBRH-MRXNPFEDSA-N 0 0 301.455 4.250 50 0 DIAARN O[C@H]1CC(c2ccccc2)(c2ccccc2)Oc2ccccc21 ZINC000075279476 563862851 /nfs/dbraw/zinc/86/28/51/563862851.db2.gz QAHWTLOQOKCNHU-IBGZPJMESA-N 0 0 302.373 4.446 50 0 DIAARN Cc1csc(-c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)n1 ZINC000075291898 563863548 /nfs/dbraw/zinc/86/35/48/563863548.db2.gz CYLCTUWRYSWWFB-TZMCWYRMSA-N 0 0 314.454 4.379 50 0 DIAARN O=C(NC1CCCCCC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000075346785 563863591 /nfs/dbraw/zinc/86/35/91/563863591.db2.gz OCDGOQHWSFQHCR-UHFFFAOYSA-N 0 0 307.397 4.169 50 0 DIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NC1CCCC1 ZINC000075330319 563863777 /nfs/dbraw/zinc/86/37/77/563863777.db2.gz WJLWDGQBHJTRSQ-UHFFFAOYSA-N 0 0 306.413 4.368 50 0 DIAARN C[C@H](Sc1ncc2ccccn21)C(=O)c1c[nH]c2ccccc21 ZINC000026371639 563864275 /nfs/dbraw/zinc/86/42/75/563864275.db2.gz HHUSOPROLBQDTC-LBPRGKRZSA-N 0 0 321.405 4.179 50 0 DIAARN Fc1ccc(SCc2csc(-c3ncccn3)n2)c(F)c1 ZINC000053596198 563864301 /nfs/dbraw/zinc/86/43/01/563864301.db2.gz XNUCVCXAJUIXSM-UHFFFAOYSA-N 0 0 321.377 4.171 50 0 DIAARN COc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=S)cc1 ZINC000006556390 563864805 /nfs/dbraw/zinc/86/48/05/563864805.db2.gz BETZWVBLPPLZNN-ATVHPVEESA-N 0 0 323.421 4.215 50 0 DIAARN CCOc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000002618078 563865140 /nfs/dbraw/zinc/86/51/40/563865140.db2.gz GXPWFWDNTHKRQN-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Cl ZINC000575607614 563865301 /nfs/dbraw/zinc/86/53/01/563865301.db2.gz AQRTVGCUKSCVMR-UHFFFAOYSA-N 0 0 301.729 4.123 50 0 DIAARN O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccsc2)o1 ZINC000575610935 563865532 /nfs/dbraw/zinc/86/55/32/563865532.db2.gz REHDRDGLPLPQKB-UHFFFAOYSA-N 0 0 315.369 4.006 50 0 DIAARN O=C(c1ccccc1Cl)N1CCc2sc(Cl)cc2C1 ZINC000575615072 563867369 /nfs/dbraw/zinc/86/73/69/563867369.db2.gz AVKXFUNDTCUIQY-UHFFFAOYSA-N 0 0 312.221 4.253 50 0 DIAARN COc1cccc(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000011561987 563870499 /nfs/dbraw/zinc/87/04/99/563870499.db2.gz QLMGEZQOQXETNS-SFHVURJKSA-N 0 0 310.397 4.276 50 0 DIAARN Cc1cc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)nc(-c2ccncc2)n1 ZINC000229417436 563871111 /nfs/dbraw/zinc/87/11/11/563871111.db2.gz IZFCNRXJMUSLIT-WBAXXEDZSA-N 0 0 322.456 4.252 50 0 DIAARN Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000078995585 563871165 /nfs/dbraw/zinc/87/11/65/563871165.db2.gz XIJSLPPHBCEVHB-UHFFFAOYSA-N 0 0 310.378 4.076 50 0 DIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(F)cc1 ZINC000035536510 563872449 /nfs/dbraw/zinc/87/24/49/563872449.db2.gz HXDZSIAYKYGRRO-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000035539731 563872453 /nfs/dbraw/zinc/87/24/53/563872453.db2.gz YLSKSYABCVLBCW-UHFFFAOYSA-N 0 0 319.364 4.175 50 0 DIAARN O=C(CCCC(=O)c1cccs1)Nc1cccc2ncccc21 ZINC000012982044 563873026 /nfs/dbraw/zinc/87/30/26/563873026.db2.gz ANOQVLMHAZSXNH-UHFFFAOYSA-N 0 0 324.405 4.288 50 0 DIAARN Cn1ccnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000006369194 563873078 /nfs/dbraw/zinc/87/30/78/563873078.db2.gz YRCDVNDQLRJZHQ-KRWDZBQOSA-N 0 0 308.406 4.136 50 0 DIAARN O[C@H](COc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000000380601 563873995 /nfs/dbraw/zinc/87/39/95/563873995.db2.gz DXYHCBLNHSIWFI-INIZCTEOSA-N 0 0 317.388 4.234 50 0 DIAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1ccccc1F ZINC000035671960 563874171 /nfs/dbraw/zinc/87/41/71/563874171.db2.gz IBKUKUXCMYHWLH-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN c1ccc2c(c1)OCC[C@H]2Nc1ncnc2sc3c(c21)CCC3 ZINC000035684551 563875092 /nfs/dbraw/zinc/87/50/92/563875092.db2.gz BXMZTTJQYCKVLE-CYBMUJFWSA-N 0 0 323.421 4.116 50 0 DIAARN CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 ZINC000013004111 563875093 /nfs/dbraw/zinc/87/50/93/563875093.db2.gz FQNREBBBWTUUAJ-UHFFFAOYSA-N 0 0 304.393 4.323 50 0 DIAARN O=C(COc1cccc2ccccc21)N[C@@H]1CCc2ccccc21 ZINC000013005493 563875095 /nfs/dbraw/zinc/87/50/95/563875095.db2.gz XZNOBGFUCPTXTJ-LJQANCHMSA-N 0 0 317.388 4.022 50 0 DIAARN C[C@@H](NC(=O)NCCc1cccs1)c1ccc(Cl)cc1 ZINC000013001698 563875132 /nfs/dbraw/zinc/87/51/32/563875132.db2.gz LUGXYBLNTKHIOM-LLVKDONJSA-N 0 0 308.834 4.004 50 0 DIAARN CC(C)c1ccc(NC(=O)CCc2ccc3[nH]cnc3c2)cc1 ZINC000075478846 563876094 /nfs/dbraw/zinc/87/60/94/563876094.db2.gz YMXQBYAUNLAWGQ-UHFFFAOYSA-N 0 0 307.397 4.258 50 0 DIAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1 ZINC000075502241 563877380 /nfs/dbraw/zinc/87/73/80/563877380.db2.gz HNIXDDZCXPHFHD-UHFFFAOYSA-N 0 0 308.406 4.082 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001801457 563879158 /nfs/dbraw/zinc/87/91/58/563879158.db2.gz CCLQEUIFQUKBAZ-UHFFFAOYSA-N 0 0 317.772 4.159 50 0 DIAARN O=C(Oc1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000001805424 563879251 /nfs/dbraw/zinc/87/92/51/563879251.db2.gz MSLJQSYDVWVIFR-UHFFFAOYSA-N 0 0 322.616 4.255 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2nccs2)o1 ZINC000075543874 563879443 /nfs/dbraw/zinc/87/94/43/563879443.db2.gz DUCTYXILZIICAP-PWSUYJOCSA-N 0 0 305.403 4.050 50 0 DIAARN C[C@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000239297066 563879715 /nfs/dbraw/zinc/87/97/15/563879715.db2.gz DRMVBDRUIKPZNG-RSUWNVLCSA-N 0 0 309.450 4.247 50 0 DIAARN O=C(Nc1ccccc1)[C@H]1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]21)C3(Cl)Cl ZINC000239347236 563879971 /nfs/dbraw/zinc/87/99/71/563879971.db2.gz MMOSXTJWJAFEOQ-KHMAMNHCSA-N 0 0 324.251 4.481 50 0 DIAARN CCC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000241810027 563880826 /nfs/dbraw/zinc/88/08/26/563880826.db2.gz SCNFPCFNMYBSPS-FWTFNCGHSA-N 0 0 309.494 4.301 50 0 DIAARN Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1OCC(F)F ZINC000241470694 563880834 /nfs/dbraw/zinc/88/08/34/563880834.db2.gz NXEABVQFESFVSH-IAOVAPTHSA-N 0 0 323.383 4.008 50 0 DIAARN C[C@@H]1CCN(C(=O)Nc2cccnc2Cl)[C@@H](c2ccco2)C1 ZINC000075546539 563881720 /nfs/dbraw/zinc/88/17/20/563881720.db2.gz XPFJCFNCRZMIPY-DGCLKSJQSA-N 0 0 319.792 4.333 50 0 DIAARN CCc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)C(C)C)cc1 ZINC000089284813 563883183 /nfs/dbraw/zinc/88/31/83/563883183.db2.gz MKWQBALJZRHVHS-KRWDZBQOSA-N 0 0 310.397 4.176 50 0 DIAARN Cc1nc(NC(=O)CCCOc2ccc(Cl)cc2)sc1C ZINC000001903882 563883533 /nfs/dbraw/zinc/88/35/33/563883533.db2.gz UWEDEJWFNZUTDT-UHFFFAOYSA-N 0 0 324.833 4.211 50 0 DIAARN Clc1cc2c(c3ncccc13)OCN(C1CCCCC1)C2 ZINC000054114369 563884602 /nfs/dbraw/zinc/88/46/02/563884602.db2.gz FENILMJBVROUET-UHFFFAOYSA-N 0 0 302.805 4.373 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)CNc2ccccc2C(C)C)c1C ZINC000075568245 563884941 /nfs/dbraw/zinc/88/49/41/563884941.db2.gz NSNIFWIRKJWSRB-UHFFFAOYSA-N 0 0 312.413 4.252 50 0 DIAARN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc(Cl)o1 ZINC000075584132 563884971 /nfs/dbraw/zinc/88/49/71/563884971.db2.gz HYSFGDFNUPDSTF-CYBMUJFWSA-N 0 0 307.825 4.052 50 0 DIAARN CC(C)OCC[C@H]1CCCCN1C(=O)Cc1ccccc1Cl ZINC000075610204 563885085 /nfs/dbraw/zinc/88/50/85/563885085.db2.gz RNAFYTWOBJGGFA-MRXNPFEDSA-N 0 0 323.864 4.079 50 0 DIAARN CCc1cc2c(C)cc(=O)oc2cc1OCc1ccc(OC)cc1 ZINC000000488950 563887132 /nfs/dbraw/zinc/88/71/32/563887132.db2.gz GQGMJDFUFGOADJ-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN C[C@@H](Oc1ccc2ccccc2c1)c1nnc([C@@H]2CCCOC2)o1 ZINC000521393877 563887763 /nfs/dbraw/zinc/88/77/63/563887763.db2.gz FKWFHJJFNHIRGE-CZUORRHYSA-N 0 0 324.380 4.257 50 0 DIAARN C[C@H]1CCCCN1C(=S)Nc1ccc(Br)cc1 ZINC000006571944 563890612 /nfs/dbraw/zinc/89/06/12/563890612.db2.gz FKLIVZNQJLKDFO-JTQLQIEISA-N 0 0 313.264 4.020 50 0 DIAARN Cc1ccc(-c2cc(CN(C(=O)C3CC3)C(C)C)no2)c(C)c1 ZINC000036011991 563891508 /nfs/dbraw/zinc/89/15/08/563891508.db2.gz UDOOQPPKUQQOQU-UHFFFAOYSA-N 0 0 312.413 4.105 50 0 DIAARN CCc1noc2nc(C)nc(Nc3ccc(C)c(Cl)c3)c12 ZINC000064658821 563891776 /nfs/dbraw/zinc/89/17/76/563891776.db2.gz WPCCLCFDBXQSNI-UHFFFAOYSA-N 0 0 302.765 4.194 50 0 DIAARN CCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)CC(C)C ZINC000036012118 563891854 /nfs/dbraw/zinc/89/18/54/563891854.db2.gz HIYYAMWVYWUXMX-UHFFFAOYSA-N 0 0 318.392 4.265 50 0 DIAARN Cc1ccc(C(=O)N2CCC[C@@H](OCc3cccc(C)c3)C2)cc1 ZINC000036314793 563895081 /nfs/dbraw/zinc/89/50/81/563895081.db2.gz GBOJVWDYTSYWTA-HXUWFJFHSA-N 0 0 323.436 4.125 50 0 DIAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccn1 ZINC000006840768 563896305 /nfs/dbraw/zinc/89/63/05/563896305.db2.gz CMOKFLQNSPDAKI-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)CCO2 ZINC000006842556 563896321 /nfs/dbraw/zinc/89/63/21/563896321.db2.gz BEPFLRKNLCWUNS-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN CCc1ccc(NC(=O)N2C[C@@H](CC)Oc3ccccc32)cc1 ZINC000006843821 563896731 /nfs/dbraw/zinc/89/67/31/563896731.db2.gz NBSABZBJUGXEPS-MRXNPFEDSA-N 0 0 310.397 4.459 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(s1)CCCC2 ZINC000006847970 563897099 /nfs/dbraw/zinc/89/70/99/563897099.db2.gz MHSSLMLCNHWXAA-AWEZNQCLSA-N 0 0 313.466 4.378 50 0 DIAARN COc1cccc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 ZINC000006857064 563897104 /nfs/dbraw/zinc/89/71/04/563897104.db2.gz YLUUBSFRXCHHKV-UHFFFAOYSA-N 0 0 324.405 4.444 50 0 DIAARN Cc1ccc(Oc2ccccc2NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000036391252 563897847 /nfs/dbraw/zinc/89/78/47/563897847.db2.gz YLXSNSRLSDOOON-UHFFFAOYSA-N 0 0 312.413 4.114 50 0 DIAARN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)c2ccccc2S1 ZINC000006876951 563898012 /nfs/dbraw/zinc/89/80/12/563898012.db2.gz HHCQFTUQGASMCD-LLVKDONJSA-N 0 0 302.374 4.358 50 0 DIAARN Cc1ccc(CNC(=O)N2C[C@H](C)Sc3ccccc32)cc1 ZINC000006876975 563898053 /nfs/dbraw/zinc/89/80/53/563898053.db2.gz UELURFZQLDOSCJ-AWEZNQCLSA-N 0 0 312.438 4.205 50 0 DIAARN Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)s1 ZINC000036392570 563898372 /nfs/dbraw/zinc/89/83/72/563898372.db2.gz TXMCPHGHGCBINY-UHFFFAOYSA-N 0 0 317.307 4.144 50 0 DIAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]C1CCCCCCC1 ZINC000006894422 563899194 /nfs/dbraw/zinc/89/91/94/563899194.db2.gz XSYSVWRYCHYPHY-UHFFFAOYSA-N 0 0 314.429 4.377 50 0 DIAARN CCc1nnc(SCc2ccccc2)c2cc3occc3n21 ZINC000006894209 563899208 /nfs/dbraw/zinc/89/92/08/563899208.db2.gz VYDUISVHMCCOCY-UHFFFAOYSA-N 0 0 309.394 4.330 50 0 DIAARN O=C(c1ccc(-n2ccc3ccccc32)s1)N1CCCCC1 ZINC000006914039 563899415 /nfs/dbraw/zinc/89/94/15/563899415.db2.gz LYTMBJWDYCSEOX-UHFFFAOYSA-N 0 0 310.422 4.318 50 0 DIAARN CCOc1ccc([C@@H](C)NC(=S)Nc2ccccc2)cc1 ZINC000006934909 563899733 /nfs/dbraw/zinc/89/97/33/563899733.db2.gz FQXCLAJSOOHZHC-CYBMUJFWSA-N 0 0 300.427 4.133 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccccc1F ZINC000006933556 563899740 /nfs/dbraw/zinc/89/97/40/563899740.db2.gz PXTPBYHOEYLGRN-LLVKDONJSA-N 0 0 307.752 4.194 50 0 DIAARN Cc1cc(C)cc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c1 ZINC000065137106 563899774 /nfs/dbraw/zinc/89/97/74/563899774.db2.gz FTVQJVUNPRQXCF-UHFFFAOYSA-N 0 0 316.364 4.411 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000006946421 563900112 /nfs/dbraw/zinc/90/01/12/563900112.db2.gz ZZJDQPLGYOXVBP-UHFFFAOYSA-N 0 0 319.763 4.389 50 0 DIAARN CCOc1ccc(C(=O)Nc2cc(-c3ccsc3)no2)cc1 ZINC000065153176 563900362 /nfs/dbraw/zinc/90/03/62/563900362.db2.gz WZUYEQQGUZBNKX-UHFFFAOYSA-N 0 0 314.366 4.054 50 0 DIAARN C[C@@H](NC(=O)COc1cccc(C(C)(C)C)c1)c1ccccc1 ZINC000007975946 563900897 /nfs/dbraw/zinc/90/08/97/563900897.db2.gz GVJFZCGEQLOCRH-OAHLLOKOSA-N 0 0 311.425 4.240 50 0 DIAARN C[C@H]1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000006995080 563901005 /nfs/dbraw/zinc/90/10/05/563901005.db2.gz GSSASKQPWKEGQR-JTQLQIEISA-N 0 0 320.845 4.103 50 0 DIAARN Cc1ccc(-c2csc3ncn(CC(C)C)c(=O)c23)s1 ZINC000007007182 563901305 /nfs/dbraw/zinc/90/13/05/563901305.db2.gz SETIZGYIZRBBDW-UHFFFAOYSA-N 0 0 304.440 4.151 50 0 DIAARN C[C@H](NC(=O)CCC1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000036624534 563901812 /nfs/dbraw/zinc/90/18/12/563901812.db2.gz XMHBEZODJMRSFA-HNNXBMFYSA-N 0 0 311.429 4.020 50 0 DIAARN Cc1nc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cs1 ZINC000007088075 563902678 /nfs/dbraw/zinc/90/26/78/563902678.db2.gz JQFMTVOPFLUPCY-KRWDZBQOSA-N 0 0 321.405 4.223 50 0 DIAARN O=C1c2ccccc2N[C@H](c2ccsc2)N1Cc1ccco1 ZINC000007112657 563902940 /nfs/dbraw/zinc/90/29/40/563902940.db2.gz YXIGZJBCGVFPST-INIZCTEOSA-N 0 0 310.378 4.108 50 0 DIAARN CCC(CC)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 ZINC000007140099 563903593 /nfs/dbraw/zinc/90/35/93/563903593.db2.gz SGHKKTFMWVRJQR-UHFFFAOYSA-N 0 0 323.506 4.012 50 0 DIAARN Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)s1 ZINC000036761078 563904019 /nfs/dbraw/zinc/90/40/19/563904019.db2.gz VVNIXXYWQINAIU-UHFFFAOYSA-N 0 0 310.378 4.496 50 0 DIAARN CC(C)c1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 ZINC000036730800 563904066 /nfs/dbraw/zinc/90/40/66/563904066.db2.gz VJHQSSHDXGMLAI-QGZVFWFLSA-N 0 0 309.365 4.050 50 0 DIAARN CSc1nnc(S[C@@H](C)C(=O)c2cc(C)ccc2C)s1 ZINC000036821727 563904574 /nfs/dbraw/zinc/90/45/74/563904574.db2.gz PIQZCOQWEUBTLL-JTQLQIEISA-N 0 0 324.496 4.240 50 0 DIAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 ZINC000007223039 563904682 /nfs/dbraw/zinc/90/46/82/563904682.db2.gz SHMFXFVGONWXMU-CQSZACIVSA-N 0 0 312.413 4.087 50 0 DIAARN Cc1cc(-c2csc(N)n2)c(C)n1CCc1cccs1 ZINC000007363167 563905474 /nfs/dbraw/zinc/90/54/74/563905474.db2.gz SGFRQPWXXAKJTR-UHFFFAOYSA-N 0 0 303.456 4.115 50 0 DIAARN Cc1nn(C)c2ncc(N[C@H](C)c3ccccc3Cl)cc12 ZINC000037084740 563905818 /nfs/dbraw/zinc/90/58/18/563905818.db2.gz PQCHMMSSLNTOGY-SNVBAGLBSA-N 0 0 300.793 4.103 50 0 DIAARN Cc1nc(SCc2ncc(-c3ccccc3)o2)nc(C)c1C ZINC000007393297 563905892 /nfs/dbraw/zinc/90/58/92/563905892.db2.gz YOLLXATUUYKGGZ-UHFFFAOYSA-N 0 0 311.410 4.349 50 0 DIAARN CCCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000007409057 563905936 /nfs/dbraw/zinc/90/59/36/563905936.db2.gz OLDRKKQCOADEMC-UHFFFAOYSA-N 0 0 303.427 4.057 50 0 DIAARN CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C)cc1 ZINC000007420732 563906241 /nfs/dbraw/zinc/90/62/41/563906241.db2.gz AMEPRGGQWVLDOZ-MRXNPFEDSA-N 0 0 310.441 4.016 50 0 DIAARN C[C@H](Nc1cccc(C[S@@](C)=O)c1)c1cc(F)ccc1F ZINC000170592779 563906617 /nfs/dbraw/zinc/90/66/17/563906617.db2.gz GAICWSNNRCXICR-WIUDPPPLSA-N 0 0 309.381 4.016 50 0 DIAARN C[C@]1(Cc2ccccc2)CCCN1c1ccc(C(F)(F)F)nn1 ZINC000170596916 563907176 /nfs/dbraw/zinc/90/71/76/563907176.db2.gz ONTFCCUOEZGPPW-MRXNPFEDSA-N 0 0 321.346 4.097 50 0 DIAARN Clc1cccc2c1OCCN2Cc1cnc(C2CC2)s1 ZINC000170606989 563907673 /nfs/dbraw/zinc/90/76/73/563907673.db2.gz SCMKCWYKYXKMNW-UHFFFAOYSA-N 0 0 306.818 4.073 50 0 DIAARN COc1ccc(-c2nc(-c3cncc(C)c3)cs2)cc1OC ZINC000170606698 563907736 /nfs/dbraw/zinc/90/77/36/563907736.db2.gz ZXJYNKBZVHTTNV-UHFFFAOYSA-N 0 0 312.394 4.198 50 0 DIAARN CC(C)c1nccn1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170613024 563907969 /nfs/dbraw/zinc/90/79/69/563907969.db2.gz SHBWTFHTPQLBLI-HNNXBMFYSA-N 0 0 321.465 4.044 50 0 DIAARN O=C([O-])CCCCCC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000170612885 563908009 /nfs/dbraw/zinc/90/80/09/563908009.db2.gz KXRPXLVKAOUFCI-UHFFFAOYSA-N 0 0 319.445 4.133 50 0 DIAARN CC(C)c1nccn1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000170613025 563908043 /nfs/dbraw/zinc/90/80/43/563908043.db2.gz SHBWTFHTPQLBLI-OAHLLOKOSA-N 0 0 321.465 4.044 50 0 DIAARN CC(C)(C)C1CCC(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000170612728 563908078 /nfs/dbraw/zinc/90/80/78/563908078.db2.gz OCYFIDNYVBZYQN-ABHNRTSZSA-N 0 0 317.473 4.124 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C ZINC000170616308 563908387 /nfs/dbraw/zinc/90/83/87/563908387.db2.gz YQMIBTAFOBTNQP-ZWNOBZJWSA-N 0 0 312.335 4.277 50 0 DIAARN O=C(c1ccco1)N1N=C(c2ccccc2)C[C@H]1c1cccs1 ZINC000170618949 563908549 /nfs/dbraw/zinc/90/85/49/563908549.db2.gz CFRGGMDQJBBMOM-HNNXBMFYSA-N 0 0 322.389 4.333 50 0 DIAARN CCN(CC)c1c(=O)[nH]c2cc(C)ccc2c1-c1ccccc1 ZINC000170619404 563908557 /nfs/dbraw/zinc/90/85/57/563908557.db2.gz PASMSMYLTDLDMA-UHFFFAOYSA-N 0 0 306.409 4.350 50 0 DIAARN Cc1ccc(Nc2nc(Cl)nc3c2ncn3C(C)C)cc1 ZINC000170621895 563908687 /nfs/dbraw/zinc/90/86/87/563908687.db2.gz GDQWYIJWSJRZOA-UHFFFAOYSA-N 0 0 301.781 4.113 50 0 DIAARN Cc1cc(N2CCC[C@@H]2c2cccc(N(C)C)c2)nc(C2CC2)n1 ZINC000170630515 563908960 /nfs/dbraw/zinc/90/89/60/563908960.db2.gz QLVUUNJJNJMKMK-GOSISDBHSA-N 0 0 322.456 4.070 50 0 DIAARN CN(C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)C1CCCCCC1 ZINC000170631346 563908980 /nfs/dbraw/zinc/90/89/80/563908980.db2.gz GGLIQAFVDOZMCE-DOTOQJQBSA-N 0 0 324.509 4.192 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc2ncccc2c1 ZINC000071283923 563909063 /nfs/dbraw/zinc/90/90/63/563909063.db2.gz BCSMGAZIXDRDHV-CQSZACIVSA-N 0 0 306.369 4.136 50 0 DIAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000071283049 563909085 /nfs/dbraw/zinc/90/90/85/563909085.db2.gz AQIVRYKHIGBKIE-AWEZNQCLSA-N 0 0 317.414 4.064 50 0 DIAARN O=C(CSc1ccc(F)cc1)Nc1ccc2ncsc2c1 ZINC000010217341 563909253 /nfs/dbraw/zinc/90/92/53/563909253.db2.gz FSAMRMGTKNOSGI-UHFFFAOYSA-N 0 0 318.398 4.166 50 0 DIAARN O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000010216915 563909325 /nfs/dbraw/zinc/90/93/25/563909325.db2.gz NHTWPHUTAKFJDR-ZFWWWQNUSA-N 0 0 312.438 4.316 50 0 DIAARN Cc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1F ZINC000013320199 563909523 /nfs/dbraw/zinc/90/95/23/563909523.db2.gz MWJQUJARDRLHGT-CQSZACIVSA-N 0 0 300.377 4.277 50 0 DIAARN CCCCCOc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000013329769 563909657 /nfs/dbraw/zinc/90/96/57/563909657.db2.gz JHLGFTLOZHUBSO-UHFFFAOYSA-N 0 0 315.388 4.325 50 0 DIAARN O=C(Nc1ccccc1Br)N1CCc2ccccc21 ZINC000013745975 563909820 /nfs/dbraw/zinc/90/98/20/563909820.db2.gz OLSVGOFHJSUQIS-UHFFFAOYSA-N 0 0 317.186 4.044 50 0 DIAARN O=C(NCC1(c2cccs2)CCCC1)c1c(F)cccc1F ZINC000013803080 563909992 /nfs/dbraw/zinc/90/99/92/563909992.db2.gz HLRHKNYFUNVMBD-UHFFFAOYSA-N 0 0 321.392 4.268 50 0 DIAARN CCc1cccc(CC)c1NC(=S)NCCc1ccccc1 ZINC000013789075 563910076 /nfs/dbraw/zinc/91/00/76/563910076.db2.gz YGPMIHVOKRZTRU-UHFFFAOYSA-N 0 0 312.482 4.341 50 0 DIAARN CCc1cccc(CC)c1NC(=O)c1cc(C)nc2onc(C)c21 ZINC000014207962 563910484 /nfs/dbraw/zinc/91/04/84/563910484.db2.gz NOAPIESTMAKCFN-UHFFFAOYSA-N 0 0 323.396 4.217 50 0 DIAARN FC(F)(F)c1cnc(N2CCc3sccc3C2)c(Cl)c1 ZINC000014324417 563910621 /nfs/dbraw/zinc/91/06/21/563910621.db2.gz XLWODONEZGTYNH-UHFFFAOYSA-N 0 0 318.751 4.378 50 0 DIAARN Cc1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1 ZINC000089705463 563911134 /nfs/dbraw/zinc/91/11/34/563911134.db2.gz FRXCUWNAMSBCEW-UHFFFAOYSA-N 0 0 319.499 4.345 50 0 DIAARN Cc1nc(CSCc2ncc(-c3ccccc3Cl)o2)no1 ZINC000089718443 563911149 /nfs/dbraw/zinc/91/11/49/563911149.db2.gz VIEKCWCUNLOVLY-UHFFFAOYSA-N 0 0 321.789 4.120 50 0 DIAARN Clc1ccccc1-c1nnc(CSC[C@H]2CCCCO2)o1 ZINC000089821287 563911440 /nfs/dbraw/zinc/91/14/40/563911440.db2.gz WDBIJJFRXNCXCH-LLVKDONJSA-N 0 0 324.833 4.192 50 0 DIAARN Fc1cccc(Cl)c1CNc1cnn(-c2ccccc2)c1 ZINC000089857591 563911500 /nfs/dbraw/zinc/91/15/00/563911500.db2.gz XQAIVKSTGWREMK-UHFFFAOYSA-N 0 0 301.752 4.277 50 0 DIAARN CC(C)(C)c1nnc(CN2CCCC3(C2)CCCCCC3)o1 ZINC000075968364 563911561 /nfs/dbraw/zinc/91/15/61/563911561.db2.gz RBZYRRBDJAGVFV-UHFFFAOYSA-N 0 0 305.466 4.304 50 0 DIAARN CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)C2CC=CC2)n1 ZINC000076042865 563912002 /nfs/dbraw/zinc/91/20/02/563912002.db2.gz IBKBWXJLBLBWOY-AWEZNQCLSA-N 0 0 318.486 4.460 50 0 DIAARN COc1cccc(F)c1[C@@H](C)Nc1ccc(OC(F)F)cn1 ZINC000089904509 563912069 /nfs/dbraw/zinc/91/20/69/563912069.db2.gz MVJGFLOZKHKCMU-SECBINFHSA-N 0 0 312.291 4.004 50 0 DIAARN C[C@H]1CN(c2ccccc2CNc2ccc(F)cc2)C[C@H](C)O1 ZINC000089936858 563912375 /nfs/dbraw/zinc/91/23/75/563912375.db2.gz OFTDESNYWQFRMO-GJZGRUSLSA-N 0 0 314.404 4.051 50 0 DIAARN CC(=O)c1c(F)cccc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000089937042 563912380 /nfs/dbraw/zinc/91/23/80/563912380.db2.gz BYKZATKQQYIETI-BDJLRTHQSA-N 0 0 319.401 4.056 50 0 DIAARN COc1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000000151331 563912787 /nfs/dbraw/zinc/91/27/87/563912787.db2.gz RRYJXTUBMIYHBR-UHFFFAOYSA-N 0 0 319.286 4.401 50 0 DIAARN COc1ccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)cc1 ZINC000000202367 563912827 /nfs/dbraw/zinc/91/28/27/563912827.db2.gz ABBJFGLKAXQNLV-UHFFFAOYSA-N 0 0 318.376 4.067 50 0 DIAARN CCO[C@H]1C[C@@H](N(C)C(=O)CC2=CCCCC2)C12CCCC2 ZINC000170636789 563913692 /nfs/dbraw/zinc/91/36/92/563913692.db2.gz LKIJCCAINFLVIQ-SJORKVTESA-N 0 0 305.462 4.073 50 0 DIAARN Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 ZINC000002122135 563914861 /nfs/dbraw/zinc/91/48/61/563914861.db2.gz VKHYPBZVTYKYNK-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN Cc1cc(C)cc(NCc2cc(=O)oc3cc(C)c(O)cc23)c1 ZINC000002120447 563914963 /nfs/dbraw/zinc/91/49/63/563914963.db2.gz MARCFTKWIFVQAO-UHFFFAOYSA-N 0 0 309.365 4.036 50 0 biogenic DIAARN Cc1cc(N(C)C)ccc1NC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000252457154 563915184 /nfs/dbraw/zinc/91/51/84/563915184.db2.gz FVYFXFWGVDRFIX-MSBVJSHASA-N 0 0 324.424 4.429 50 0 DIAARN CCCCN(C(C)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002141085 563915583 /nfs/dbraw/zinc/91/55/83/563915583.db2.gz AMJKROIZCDPMSI-UHFFFAOYSA-N 0 0 303.189 4.174 50 0 DIAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccco1 ZINC000007599201 563915682 /nfs/dbraw/zinc/91/56/82/563915682.db2.gz NBPVYJQIVPSDRQ-UHFFFAOYSA-N 0 0 310.334 4.402 50 0 DIAARN Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2Cl)c1C ZINC000007597497 563915703 /nfs/dbraw/zinc/91/57/03/563915703.db2.gz HFJRBIYMWMZPJA-CQSZACIVSA-N 0 0 317.816 4.213 50 0 DIAARN CC(C)c1cc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)no1 ZINC000252493108 563916165 /nfs/dbraw/zinc/91/61/65/563916165.db2.gz MZJFTWXPPSHRAJ-GOEBONIOSA-N 0 0 312.413 4.206 50 0 DIAARN Fc1ccc(Cl)c(OCc2csc([C@H]3CCCO3)n2)c1 ZINC000193543604 563916209 /nfs/dbraw/zinc/91/62/09/563916209.db2.gz LWEYRTZNRDWMLG-GFCCVEGCSA-N 0 0 313.781 4.366 50 0 DIAARN O=C(c1ccco1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208046442 563916223 /nfs/dbraw/zinc/91/62/23/563916223.db2.gz YEFWRYPMNNOUCP-OAHLLOKOSA-N 0 0 321.829 4.253 50 0 DIAARN CC[C@@H](Nc1ccc(N2CCCC2)c(Cl)c1)c1cn[nH]c1 ZINC000252501732 563916293 /nfs/dbraw/zinc/91/62/93/563916293.db2.gz UIRQZNMDEXYASM-OAHLLOKOSA-N 0 0 304.825 4.227 50 0 DIAARN COCc1ccc(NC(=O)Nc2ccccc2CSC)cc1 ZINC000194017164 563916843 /nfs/dbraw/zinc/91/68/43/563916843.db2.gz NXSAHKNSKADOFI-UHFFFAOYSA-N 0 0 316.426 4.340 50 0 DIAARN O=C(NC1CCCCC1)c1ccccc1COc1ccccc1 ZINC000007609011 563917218 /nfs/dbraw/zinc/91/72/18/563917218.db2.gz PIYUJDSSFCYOPO-UHFFFAOYSA-N 0 0 309.409 4.328 50 0 DIAARN CC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000007642640 563917789 /nfs/dbraw/zinc/91/77/89/563917789.db2.gz UILDKAJHFNCDST-UHFFFAOYSA-N 0 0 303.361 4.224 50 0 DIAARN O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCCC1 ZINC000007687462 563917842 /nfs/dbraw/zinc/91/78/42/563917842.db2.gz VMOXDPDQAPCPFL-UHFFFAOYSA-N 0 0 315.800 4.155 50 0 DIAARN CCN(CC)C(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007687449 563917845 /nfs/dbraw/zinc/91/78/45/563917845.db2.gz DQPLNSMDYITCNM-UHFFFAOYSA-N 0 0 317.816 4.401 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1c(Cl)cccc1Cl ZINC000008500224 563917854 /nfs/dbraw/zinc/91/78/54/563917854.db2.gz NIXHWIVZAWVCKR-UHFFFAOYSA-N 0 0 322.147 4.492 50 0 DIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(F)cc1 ZINC000007725392 563918353 /nfs/dbraw/zinc/91/83/53/563918353.db2.gz FPIWIMSOMPPSFE-UHFFFAOYSA-N 0 0 323.371 4.154 50 0 DIAARN Cc1ccc(Cl)cc1CN[C@H](c1cccs1)c1ncc[nH]1 ZINC000195127644 563918915 /nfs/dbraw/zinc/91/89/15/563918915.db2.gz YQRZABJCJBXTQT-OAHLLOKOSA-N 0 0 317.845 4.312 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C)c1cccs1 ZINC000007779577 563919103 /nfs/dbraw/zinc/91/91/03/563919103.db2.gz IXEVVTFAQWFURB-JTQLQIEISA-N 0 0 303.358 4.433 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nncs1 ZINC000007784213 563919301 /nfs/dbraw/zinc/91/93/01/563919301.db2.gz NFJGBAJCVOCTGX-NSHDSACASA-N 0 0 321.471 4.089 50 0 DIAARN CC(C)c1ccc(NC(=O)CN(C)Cc2cccc(F)c2)cc1 ZINC000007791622 563919446 /nfs/dbraw/zinc/91/94/46/563919446.db2.gz OPQWQGFJUAMEHL-UHFFFAOYSA-N 0 0 314.404 4.020 50 0 DIAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 ZINC000007794129 563919473 /nfs/dbraw/zinc/91/94/73/563919473.db2.gz MCAOEEXKBMTMMG-UHFFFAOYSA-N 0 0 322.330 4.332 50 0 DIAARN Brc1cc(CSC[C@@H]2CCCCO2)cs1 ZINC000195540188 563919603 /nfs/dbraw/zinc/91/96/03/563919603.db2.gz QGSLQDVICUGGOB-JTQLQIEISA-N 0 0 307.278 4.313 50 0 DIAARN Cc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)cc1 ZINC000195559079 563919805 /nfs/dbraw/zinc/91/98/05/563919805.db2.gz JYEZWNRBSFZXSL-FQEVSTJZSA-N 0 0 307.846 4.139 50 0 DIAARN C[C@H](NC(=O)CCSc1ccc(F)c(F)c1)c1ccccc1 ZINC000007909483 563920465 /nfs/dbraw/zinc/92/04/65/563920465.db2.gz FNLACVGNPRSRJK-LBPRGKRZSA-N 0 0 321.392 4.324 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000562955 563920480 /nfs/dbraw/zinc/92/04/80/563920480.db2.gz WIMBZLDBMZLWHY-IZZDOVSWSA-N 0 0 321.298 4.366 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1ccc(C)cc1 ZINC000007902996 563920489 /nfs/dbraw/zinc/92/04/89/563920489.db2.gz LVUQQDJSXXATQJ-UHFFFAOYSA-N 0 0 306.409 4.099 50 0 DIAARN O=C1OC(c2cccs2)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000003248344 563920492 /nfs/dbraw/zinc/92/04/92/563920492.db2.gz PJEVEXPZJZJDRZ-YRNVUSSQSA-N 0 0 324.188 4.399 50 0 DIAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000007917389 563920644 /nfs/dbraw/zinc/92/06/44/563920644.db2.gz VNSZQMWAZVZYHW-UHFFFAOYSA-N 0 0 318.376 4.373 50 0 DIAARN C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1cccc(F)c1 ZINC000007917951 563920669 /nfs/dbraw/zinc/92/06/69/563920669.db2.gz DWLBEMSOBLEMKD-NSHDSACASA-N 0 0 317.389 4.130 50 0 DIAARN O=C(NC1CCCCC1)c1cccnc1SC1CCCC1 ZINC000054800216 563920780 /nfs/dbraw/zinc/92/07/80/563920780.db2.gz VZYPMBUXBCXNCJ-UHFFFAOYSA-N 0 0 304.459 4.179 50 0 DIAARN c1ccc(-c2cc(Nc3ccc(N4CCCC4)cc3)ncn2)cc1 ZINC000001286914 563920853 /nfs/dbraw/zinc/92/08/53/563920853.db2.gz NUOQFCQWTYCVCN-UHFFFAOYSA-N 0 0 316.408 4.487 50 0 DIAARN CN(C)C(=O)[C@@H](Sc1ccc2ccccc2n1)c1ccccc1 ZINC000007920778 563921001 /nfs/dbraw/zinc/92/10/01/563921001.db2.gz HRZKMIYMNXMETC-SFHVURJKSA-N 0 0 322.433 4.156 50 0 DIAARN O=[N+]([O-])c1cc(C(F)(F)F)cc(Br)c1Cl ZINC000146054093 563924297 /nfs/dbraw/zinc/92/42/97/563924297.db2.gz DDLCLMVGESNPBY-UHFFFAOYSA-N 0 0 304.449 4.030 50 0 DIAARN CCOC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1 ZINC000146720772 563924303 /nfs/dbraw/zinc/92/43/03/563924303.db2.gz ZUKQDXJKYIIHBW-UHFFFAOYSA-N 0 0 319.364 4.123 50 0 DIAARN CN(C)C(=O)c1cccnc1-c1ccccc1-c1ccccc1 ZINC000145230573 563924307 /nfs/dbraw/zinc/92/43/07/563924307.db2.gz QVCIYATZBIWDDS-UHFFFAOYSA-N 0 0 302.377 4.117 50 0 DIAARN Cc1cccc(F)c1NC(=O)N1CCC(c2nccs2)CC1 ZINC000253430304 563925298 /nfs/dbraw/zinc/92/52/98/563925298.db2.gz XUTVRMBXMBBMDP-UHFFFAOYSA-N 0 0 319.405 4.002 50 0 DIAARN CCCn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000002408615 563927873 /nfs/dbraw/zinc/92/78/73/563927873.db2.gz YWIPDZYYDAQWPY-UHFFFAOYSA-N 0 0 318.829 4.497 50 0 DIAARN O=C(NCc1cncc(-c2cccs2)c1)Nc1ccccc1 ZINC000225667690 563928093 /nfs/dbraw/zinc/92/80/93/563928093.db2.gz VGPAUVRXZZNILA-UHFFFAOYSA-N 0 0 309.394 4.132 50 0 DIAARN Cc1nc(Cc2nc(-c3ccncc3Cl)cs2)cs1 ZINC000225455516 563928164 /nfs/dbraw/zinc/92/81/64/563928164.db2.gz ZDCSOOSQVFGOLW-UHFFFAOYSA-N 0 0 307.831 4.214 50 0 DIAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1F ZINC000027878045 563928618 /nfs/dbraw/zinc/92/86/18/563928618.db2.gz QCYHHSPGZFKKMR-ZYHUDNBSSA-N 0 0 323.717 4.330 50 0 DIAARN Cc1cc(C)c2c(nn3c2nc(C)cc3Nc2ccc(F)cc2)n1 ZINC000002438127 563928644 /nfs/dbraw/zinc/92/86/44/563928644.db2.gz OIKKXOGIFZBALD-UHFFFAOYSA-N 0 0 321.359 4.085 50 0 DIAARN Clc1ncn(CCOc2cccc3ccccc32)c1Cl ZINC000002437385 563928679 /nfs/dbraw/zinc/92/86/79/563928679.db2.gz CJVMTHXBIJNMTK-UHFFFAOYSA-N 0 0 307.180 4.422 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccsc2)n1 ZINC000007942596 563928770 /nfs/dbraw/zinc/92/87/70/563928770.db2.gz KJKWQRVWXBZRCZ-UHFFFAOYSA-N 0 0 304.371 4.263 50 0 DIAARN CCOc1ccc(NC(=O)CCSc2ccccc2F)cc1 ZINC000012821578 563928944 /nfs/dbraw/zinc/92/89/44/563928944.db2.gz CZZASRGNGSAUHD-UHFFFAOYSA-N 0 0 319.401 4.345 50 0 DIAARN O=C(C1CCC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000007947119 563928965 /nfs/dbraw/zinc/92/89/65/563928965.db2.gz JESMTTWCBGGTJB-OAHLLOKOSA-N 0 0 303.452 4.084 50 0 DIAARN COc1ccc2oc(C(=O)Oc3cccc(F)c3)c(C)c2c1 ZINC000013021020 563929311 /nfs/dbraw/zinc/92/93/11/563929311.db2.gz OINZXZCZUIQUOR-UHFFFAOYSA-N 0 0 300.285 4.108 50 0 DIAARN Cc1cc2nc(Cl)c(C(=O)Nc3ccccc3)nc2cc1C ZINC000013365116 563929456 /nfs/dbraw/zinc/92/94/56/563929456.db2.gz VFSZVANDWKRYNS-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN CCCCNC(=O)Nc1nc2ccccc2n1Cc1ccccc1 ZINC000027923068 563930104 /nfs/dbraw/zinc/93/01/04/563930104.db2.gz OMQLMALCDABBKM-UHFFFAOYSA-N 0 0 322.412 4.006 50 0 DIAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000078954118 563930120 /nfs/dbraw/zinc/93/01/20/563930120.db2.gz XLNCYVIHCQOVSB-KCXAZCMYSA-N 0 0 318.465 4.266 50 0 DIAARN CCn1c2ccccc2nc1NC(=O)Nc1ccccc1Cl ZINC000027923310 563930154 /nfs/dbraw/zinc/93/01/54/563930154.db2.gz PTMORIUIOVXTNV-UHFFFAOYSA-N 0 0 314.776 4.354 50 0 DIAARN CN(Cc1nc2ccc(F)cc2o1)Cc1c(F)cccc1Cl ZINC000079098014 563930270 /nfs/dbraw/zinc/93/02/70/563930270.db2.gz DCPVRKAJXDIGTL-UHFFFAOYSA-N 0 0 322.742 4.391 50 0 DIAARN C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC000079092675 563930304 /nfs/dbraw/zinc/93/03/04/563930304.db2.gz YWWUDDPRKZOTSE-LLVKDONJSA-N 0 0 324.302 4.113 50 0 DIAARN Cc1ccc2cccc(NC(=O)N(C)[C@@H](C)c3ccncc3)c2n1 ZINC000079350523 563930406 /nfs/dbraw/zinc/93/04/06/563930406.db2.gz AUNQOCIHMZRRGI-AWEZNQCLSA-N 0 0 320.396 4.163 50 0 DIAARN Cc1nnc(SCc2cncc(F)c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000330031550 563930629 /nfs/dbraw/zinc/93/06/29/563930629.db2.gz ADTMGPGLWBRDHC-IAQYHMDHSA-N 0 0 320.437 4.164 50 0 DIAARN C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390828250 563930684 /nfs/dbraw/zinc/93/06/84/563930684.db2.gz AOQOGFJBJFBIGM-HNNXBMFYSA-N 0 0 321.376 4.030 50 0 DIAARN COc1ccc(C(=O)NC2(c3cccs3)CCCC2)cc1F ZINC000390828188 563930687 /nfs/dbraw/zinc/93/06/87/563930687.db2.gz PHTIXSNQNBURLN-UHFFFAOYSA-N 0 0 319.401 4.095 50 0 DIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 ZINC000390831945 563930692 /nfs/dbraw/zinc/93/06/92/563930692.db2.gz WDEUMKICKFGTAZ-MRXNPFEDSA-N 0 0 316.470 4.085 50 0 DIAARN CC[C@H](C)n1ncc(NC(=O)Nc2ccc(O)c(Cl)c2)c1C ZINC000390833942 563930783 /nfs/dbraw/zinc/93/07/83/563930783.db2.gz PFUGIAIKEDXIBY-VIFPVBQESA-N 0 0 322.796 4.166 50 0 DIAARN O=C(NCCc1ccc(-c2ccoc2)s1)Nc1cccs1 ZINC000390831936 563930807 /nfs/dbraw/zinc/93/08/07/563930807.db2.gz WCAHQHQABZRUTI-UHFFFAOYSA-N 0 0 318.423 4.434 50 0 DIAARN CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c2cccc3F)CC1 ZINC000094993301 563931002 /nfs/dbraw/zinc/93/10/02/563931002.db2.gz HVYGGZDTZMAXSM-UHFFFAOYSA-N 0 0 316.376 4.331 50 0 DIAARN COc1cccc(Oc2ncccc2CN[C@@H](C)c2ccco2)c1 ZINC000095423108 563931275 /nfs/dbraw/zinc/93/12/75/563931275.db2.gz REFVTPCPHGMARM-AWEZNQCLSA-N 0 0 324.380 4.326 50 0 DIAARN CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 ZINC000020902375 563931693 /nfs/dbraw/zinc/93/16/93/563931693.db2.gz STACARXCHVUWOP-CQSZACIVSA-N 0 0 310.397 4.377 50 0 DIAARN CCc1ccccc1NC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000020902376 563931781 /nfs/dbraw/zinc/93/17/81/563931781.db2.gz STACARXCHVUWOP-AWEZNQCLSA-N 0 0 310.397 4.377 50 0 DIAARN O=C1c2ccccc2-c2cc(N3CCCCC3)nc3cccc1c32 ZINC000020759988 563931865 /nfs/dbraw/zinc/93/18/65/563931865.db2.gz JYHQOXJRKHOQDK-UHFFFAOYSA-N 0 0 314.388 4.437 50 0 biogenic DIAARN Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000095942303 563931965 /nfs/dbraw/zinc/93/19/65/563931965.db2.gz WCXUJDUXMGBZEZ-SWLSCSKDSA-N 0 0 313.401 4.350 50 0 DIAARN CCCc1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000095948871 563932163 /nfs/dbraw/zinc/93/21/63/563932163.db2.gz JSABYBFHKDYELV-UHFFFAOYSA-N 0 0 317.454 4.365 50 0 DIAARN O=C(NCc1csc2ccccc12)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000095955043 563932289 /nfs/dbraw/zinc/93/22/89/563932289.db2.gz GKLOYYLFCVYAKR-IAGOWNOFSA-N 0 0 322.433 4.257 50 0 DIAARN O=C(NCc1csc2ccccc12)N[C@H]1C[C@H]1c1ccccc1 ZINC000095955040 563932341 /nfs/dbraw/zinc/93/23/41/563932341.db2.gz GKLOYYLFCVYAKR-IRXDYDNUSA-N 0 0 322.433 4.257 50 0 DIAARN Cc1ncc(CN(C)Cc2cccc(Cl)c2Cl)s1 ZINC000095954510 563932354 /nfs/dbraw/zinc/93/23/54/563932354.db2.gz AIGMMQWMHIGWMQ-UHFFFAOYSA-N 0 0 301.242 4.390 50 0 DIAARN Cc1ncsc1CC[S@](=O)c1ccc(Cl)c(Cl)c1 ZINC000095964706 563932667 /nfs/dbraw/zinc/93/26/67/563932667.db2.gz KYSDCCODDBVQSG-GOSISDBHSA-N 0 0 320.266 4.109 50 0 DIAARN O=C(Nc1ccccc1)Nc1ccc(NCc2ccccn2)cc1 ZINC000095959254 563932489 /nfs/dbraw/zinc/93/24/89/563932489.db2.gz GCKNGWGGRMUNLF-UHFFFAOYSA-N 0 0 318.380 4.338 50 0 DIAARN C[C@H](OC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000095959404 563932541 /nfs/dbraw/zinc/93/25/41/563932541.db2.gz HMYUNEHFDHXZPL-VIFPVBQESA-N 0 0 302.201 4.280 50 0 DIAARN CC[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1 ZINC000095962277 563932582 /nfs/dbraw/zinc/93/25/82/563932582.db2.gz JGSYREFVTCIGOK-CQSZACIVSA-N 0 0 305.328 4.292 50 0 DIAARN Cc1csc(N(C(=O)c2cc(C)n(C3CC3)c2C)C2CC2)n1 ZINC000095965715 563932757 /nfs/dbraw/zinc/93/27/57/563932757.db2.gz AEEFQYQERJZHKN-UHFFFAOYSA-N 0 0 315.442 4.014 50 0 DIAARN C[C@@H](NCc1ccccc1Sc1ccccc1)c1cnccn1 ZINC000095967817 563933285 /nfs/dbraw/zinc/93/32/85/563933285.db2.gz CERGTOGEVREICM-OAHLLOKOSA-N 0 0 321.449 4.479 50 0 DIAARN O=C1NCC[C@H]1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000095971774 563933343 /nfs/dbraw/zinc/93/33/43/563933343.db2.gz WGALHKDXVVZRPS-CVEARBPZSA-N 0 0 317.841 4.051 50 0 DIAARN CCc1cnc([C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)s1 ZINC000095968986 563933437 /nfs/dbraw/zinc/93/34/37/563933437.db2.gz OZBQXVAJJNGJFW-NEPJUHHUSA-N 0 0 317.458 4.076 50 0 DIAARN C[C@@H](N[C@@H](C)c1cccs1)c1noc(Cc2ccccc2)n1 ZINC000095969110 563933460 /nfs/dbraw/zinc/93/34/60/563933460.db2.gz TWCIOFQSTHWYPY-QWHCGFSZSA-N 0 0 313.426 4.134 50 0 DIAARN CCC1CCC(N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 ZINC000095996305 563934391 /nfs/dbraw/zinc/93/43/91/563934391.db2.gz VVUCTHMEWLWGQH-PIMMBPRGSA-N 0 0 317.399 4.199 50 0 DIAARN CC(=O)Nc1cc(NCc2cnc(C3CC3)s2)ccc1Cl ZINC000095977517 563933699 /nfs/dbraw/zinc/93/36/99/563933699.db2.gz GQSWAMOJUOBYON-UHFFFAOYSA-N 0 0 321.833 4.244 50 0 DIAARN C[C@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000095978537 563933731 /nfs/dbraw/zinc/93/37/31/563933731.db2.gz UJJDCQDBMRVRGZ-MAUKXSAKSA-N 0 0 315.457 4.067 50 0 DIAARN Cc1cccnc1CSCc1csc([C@H]2CCCO2)n1 ZINC000095991028 563934356 /nfs/dbraw/zinc/93/43/56/563934356.db2.gz AKFDNYUEGGIFOY-CQSZACIVSA-N 0 0 306.456 4.131 50 0 DIAARN Cc1ccc(Nc2nnc(SC3CCOCC3)s2)cc1C ZINC000096003414 563934719 /nfs/dbraw/zinc/93/47/19/563934719.db2.gz SFDAULLBJNXUJR-UHFFFAOYSA-N 0 0 321.471 4.170 50 0 DIAARN CC(=O)c1ccc(OCc2nc(Cl)ccc2Cl)cc1F ZINC000096010430 563934868 /nfs/dbraw/zinc/93/48/68/563934868.db2.gz QIYGTOLNGJZIRX-UHFFFAOYSA-N 0 0 314.143 4.309 50 0 DIAARN C[C@@H](CNC(=O)/C=C\c1ccccc1)c1nc2ccccc2s1 ZINC000096180139 563935812 /nfs/dbraw/zinc/93/58/12/563935812.db2.gz NBCWXYRRTPPVPO-NYHXXUGCSA-N 0 0 322.433 4.229 50 0 DIAARN O=C(Nc1cccc(F)c1)N1Cc2cccn2-c2ccccc21 ZINC000021533985 563935976 /nfs/dbraw/zinc/93/59/76/563935976.db2.gz XENYKEAJPHHTKE-UHFFFAOYSA-N 0 0 307.328 4.169 50 0 DIAARN C/C(=C\C(=O)N(Cc1ccco1)c1ccc(F)cc1F)C1CC1 ZINC000096298007 563936135 /nfs/dbraw/zinc/93/61/35/563936135.db2.gz HGCNWZSMLCBFMB-FMIVXFBMSA-N 0 0 317.335 4.447 50 0 DIAARN CCN(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000096316610 563936302 /nfs/dbraw/zinc/93/63/02/563936302.db2.gz JRXDEALGVALZNT-UHFFFAOYSA-N 0 0 315.289 4.028 50 0 DIAARN Cc1cc(=O)oc2c(C)c(O)c(-c3cc4ccc(F)cc4[nH]3)cc12 ZINC000096343869 563936557 /nfs/dbraw/zinc/93/65/57/563936557.db2.gz YJKYLIDTXIJKTI-UHFFFAOYSA-N 0 0 323.323 4.403 50 0 DIAARN COc1ccccc1NC(=O)N1Cc2cccn2-c2ccccc21 ZINC000021780087 563937062 /nfs/dbraw/zinc/93/70/62/563937062.db2.gz CRVGLVXMNGQKKR-UHFFFAOYSA-N 0 0 319.364 4.038 50 0 DIAARN Cc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)cc1 ZINC000002479582 563937971 /nfs/dbraw/zinc/93/79/71/563937971.db2.gz WNRWFAPNPSNQCK-MRXNPFEDSA-N 0 0 322.389 4.400 50 0 DIAARN CC(=O)c1ccccc1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000028071674 563938478 /nfs/dbraw/zinc/93/84/78/563938478.db2.gz YRWHWTAIPOOXDQ-UHFFFAOYSA-N 0 0 321.376 4.225 50 0 DIAARN c1ccc(Oc2ccccc2NCc2nc(C3CC3)no2)cc1 ZINC000055826486 563939142 /nfs/dbraw/zinc/93/91/42/563939142.db2.gz OTGMAOBQEYXWAF-UHFFFAOYSA-N 0 0 307.353 4.351 50 0 DIAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000055779808 563939254 /nfs/dbraw/zinc/93/92/54/563939254.db2.gz OGLIWWFSFNUOFU-HXUWFJFHSA-N 0 0 323.436 4.300 50 0 DIAARN COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002610352 563939392 /nfs/dbraw/zinc/93/93/92/563939392.db2.gz OGPMPAUGGNRKAU-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2)c(C)s1 ZINC000028356215 563939426 /nfs/dbraw/zinc/93/94/26/563939426.db2.gz IZTFLFJPXOQRNR-CHWSQXEVSA-N 0 0 302.443 4.486 50 0 DIAARN CCOc1ccc(OCCC(=O)Nc2cccc(C)c2C)cc1 ZINC000002617898 563939515 /nfs/dbraw/zinc/93/95/15/563939515.db2.gz MRZUXTCKJAZMIC-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000002620903 563939527 /nfs/dbraw/zinc/93/95/27/563939527.db2.gz ZPZRDXHBQNYTRU-LBPRGKRZSA-N 0 0 319.788 4.145 50 0 DIAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000002629880 563939755 /nfs/dbraw/zinc/93/97/55/563939755.db2.gz MBPNZTZZXVNSQI-UHFFFAOYSA-N 0 0 313.353 4.306 50 0 DIAARN COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1Cl ZINC000002653851 563940285 /nfs/dbraw/zinc/94/02/85/563940285.db2.gz OTOVITBFBDWVBK-GFCCVEGCSA-N 0 0 303.789 4.481 50 0 DIAARN CCOc1ccc2nc(NC(=O)c3sccc3C)sc2c1 ZINC000002664634 563940300 /nfs/dbraw/zinc/94/03/00/563940300.db2.gz CBIPSDMJUISWRL-UHFFFAOYSA-N 0 0 318.423 4.317 50 0 DIAARN Cn1nc(C2CC2)c2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002740904 563940600 /nfs/dbraw/zinc/94/06/00/563940600.db2.gz BYYAACCBVQBXEN-UHFFFAOYSA-N 0 0 307.275 4.125 50 0 DIAARN Cc1noc2ncc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc12 ZINC000029107322 563941016 /nfs/dbraw/zinc/94/10/16/563941016.db2.gz XOHWCGNCLBDCRR-KRWDZBQOSA-N 0 0 323.396 4.048 50 0 DIAARN Cc1ccc(C)c(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC000002928349 563941019 /nfs/dbraw/zinc/94/10/19/563941019.db2.gz OJHPVEONVDDWTR-UHFFFAOYSA-N 0 0 304.393 4.275 50 0 DIAARN Cc1noc2ncc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc12 ZINC000029107320 563941104 /nfs/dbraw/zinc/94/11/04/563941104.db2.gz XOHWCGNCLBDCRR-QGZVFWFLSA-N 0 0 323.396 4.048 50 0 DIAARN O=C(CSCc1ccccc1F)Nc1ccc(Cl)cc1 ZINC000002887362 563941132 /nfs/dbraw/zinc/94/11/32/563941132.db2.gz ZZPJMTHBIGDYAD-UHFFFAOYSA-N 0 0 309.793 4.351 50 0 DIAARN Cc1c(C(=O)Nc2cccc(C)c2C)cnn1-c1ccc(C)cc1 ZINC000029507959 563941200 /nfs/dbraw/zinc/94/12/00/563941200.db2.gz IXRLMQCQOCDADM-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000029515435 563941304 /nfs/dbraw/zinc/94/13/04/563941304.db2.gz UDOKTPALCQSFLA-BETUJISGSA-N 0 0 314.454 4.237 50 0 DIAARN O=C(CCSCc1cccc(Cl)c1)NC1CCCCC1 ZINC000002954074 563941406 /nfs/dbraw/zinc/94/14/06/563941406.db2.gz CHVCQHPUQMKJMB-UHFFFAOYSA-N 0 0 311.878 4.412 50 0 DIAARN CC(C)(C)c1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])s1 ZINC000262379795 563941422 /nfs/dbraw/zinc/94/14/22/563941422.db2.gz YPKWTUGOWRUVQJ-YUELXQCFSA-N 0 0 321.486 4.263 50 0 DIAARN CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)c(OCC)nn2C ZINC000227166623 563941526 /nfs/dbraw/zinc/94/15/26/563941526.db2.gz JSRGFBNDEQSEAU-CYBMUJFWSA-N 0 0 317.433 4.127 50 0 DIAARN C[C@@H](NC(=O)CSc1cccc2cccnc21)c1ccccc1 ZINC000003066112 563941920 /nfs/dbraw/zinc/94/19/20/563941920.db2.gz AGJIVQCZKLGXSI-CQSZACIVSA-N 0 0 322.433 4.204 50 0 DIAARN Cc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000003230434 563942932 /nfs/dbraw/zinc/94/29/32/563942932.db2.gz XYVAMAFYYSIGNL-UHFFFAOYSA-N 0 0 302.377 4.284 50 0 DIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(Cl)cc1 ZINC000003237476 563943087 /nfs/dbraw/zinc/94/30/87/563943087.db2.gz CWUJOEULFWYDMK-CHWSQXEVSA-N 0 0 311.878 4.363 50 0 DIAARN CCOc1ccc(NC(=S)N(CC(C)C)CC(C)C)cc1 ZINC000003258957 563943259 /nfs/dbraw/zinc/94/32/59/563943259.db2.gz AGTULEQXGXKWTF-UHFFFAOYSA-N 0 0 308.491 4.396 50 0 DIAARN CCCN(CC1CC1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000003257747 563943373 /nfs/dbraw/zinc/94/33/73/563943373.db2.gz QCESDLGDGVXKNW-UHFFFAOYSA-N 0 0 314.401 4.107 50 0 DIAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000003353813 563943780 /nfs/dbraw/zinc/94/37/80/563943780.db2.gz IFSLGZNWNGFQLX-INIZCTEOSA-N 0 0 317.335 4.095 50 0 DIAARN Cc1ccc2c(CN3c4ccccc4C[C@@H]3C)cc(=O)oc2c1 ZINC000003390163 563943890 /nfs/dbraw/zinc/94/38/90/563943890.db2.gz LHMOHDCOJBKIFK-AWEZNQCLSA-N 0 0 305.377 4.053 50 0 DIAARN COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000030873900 563943896 /nfs/dbraw/zinc/94/38/96/563943896.db2.gz MJUSZMQZCVZUHP-ZIAGYGMSSA-N 0 0 315.438 4.053 50 0 DIAARN Cc1ccc(F)cc1NCC(=O)Nc1cccc2ccccc21 ZINC000003398458 563943945 /nfs/dbraw/zinc/94/39/45/563943945.db2.gz LQDLQESKCXWWRE-UHFFFAOYSA-N 0 0 308.356 4.338 50 0 DIAARN Cc1cccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000031107451 563944255 /nfs/dbraw/zinc/94/42/55/563944255.db2.gz HBTONPRGPAFHGQ-UHFFFAOYSA-N 0 0 308.208 4.161 50 0 DIAARN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031389408 563944390 /nfs/dbraw/zinc/94/43/90/563944390.db2.gz QWUXGEKKOVZDRP-CYBMUJFWSA-N 0 0 302.443 4.396 50 0 DIAARN Cc1cccc(-n2nc(C3CC3)nc2CCCc2cccs2)n1 ZINC000670451371 563944558 /nfs/dbraw/zinc/94/45/58/563944558.db2.gz DYPONBAYAVRLML-UHFFFAOYSA-N 0 0 324.453 4.085 50 0 DIAARN COc1ccccc1Oc1ccc(NC(=O)c2ccccc2)cn1 ZINC000031773473 563944684 /nfs/dbraw/zinc/94/46/84/563944684.db2.gz DUTTTYYLAGYKRW-UHFFFAOYSA-N 0 0 320.348 4.135 50 0 DIAARN Cc1csc(NC(=O)c2cc(-n3cccc3)ccc2Cl)n1 ZINC000031813090 563944920 /nfs/dbraw/zinc/94/49/20/563944920.db2.gz GCKXCIGSSCIZTJ-UHFFFAOYSA-N 0 0 317.801 4.148 50 0 DIAARN Cc1cc(C)cc(NC(=O)CCCc2nc3ccccc3o2)c1 ZINC000031814306 563944949 /nfs/dbraw/zinc/94/49/49/563944949.db2.gz IMBJEJGRZXOYNN-UHFFFAOYSA-N 0 0 308.381 4.406 50 0 DIAARN COc1ccc2ccccc2c1CNc1ncnc2ccccc21 ZINC000031949099 563945027 /nfs/dbraw/zinc/94/50/27/563945027.db2.gz GOOIAZGPJOBECY-UHFFFAOYSA-N 0 0 315.376 4.404 50 0 DIAARN CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004081894 563945201 /nfs/dbraw/zinc/94/52/01/563945201.db2.gz YLFRRPUBVUAHSR-KGNSMVPNSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN Cc1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2n1 ZINC000032096225 563945268 /nfs/dbraw/zinc/94/52/68/563945268.db2.gz TWVPRECJLNGIRQ-UHFFFAOYSA-N 0 0 301.349 4.277 50 0 DIAARN CCc1c(C)sc2nc(Cl)n3nc(-c4ccco4)nc3c12 ZINC000032090348 563945292 /nfs/dbraw/zinc/94/52/92/563945292.db2.gz HKHSSJVMDMHETB-UHFFFAOYSA-N 0 0 318.789 4.123 50 0 DIAARN O=C(/C=C/c1ccccc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032093957 563945308 /nfs/dbraw/zinc/94/53/08/563945308.db2.gz FKPIRYFURNJJDV-YRNVUSSQSA-N 0 0 316.404 4.372 50 0 DIAARN CON(C)c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000007979002 563945866 /nfs/dbraw/zinc/94/58/66/563945866.db2.gz KDRWZYXXINRYAX-UHFFFAOYSA-N 0 0 305.790 4.009 50 0 DIAARN CCSc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1 ZINC000007986763 563945892 /nfs/dbraw/zinc/94/58/92/563945892.db2.gz RNTDETMXLXDGIV-UHFFFAOYSA-N 0 0 307.444 4.026 50 0 DIAARN O=C(c1ccc2ncsc2c1)N1CC=C(c2ccccc2)CC1 ZINC000007988344 563945987 /nfs/dbraw/zinc/94/59/87/563945987.db2.gz RPPNSMXLVVTLLD-UHFFFAOYSA-N 0 0 320.417 4.226 50 0 DIAARN CCN(Cc1cccc(F)c1)C(=O)c1ccc2ccccc2n1 ZINC000008038718 563946268 /nfs/dbraw/zinc/94/62/68/563946268.db2.gz BQEORVFZSBJDFM-UHFFFAOYSA-N 0 0 308.356 4.036 50 0 DIAARN CC(=O)c1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000008034336 563946271 /nfs/dbraw/zinc/94/62/71/563946271.db2.gz HKJXQJVDLMVNIR-UHFFFAOYSA-N 0 0 303.361 4.224 50 0 DIAARN O=C(Cc1ccc2ccccc2c1)NCc1ccccc1Cl ZINC000008034490 563946297 /nfs/dbraw/zinc/94/62/97/563946297.db2.gz BUWZDNJWVSSVNR-UHFFFAOYSA-N 0 0 309.796 4.352 50 0 DIAARN c1sc(COc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000008042346 563946401 /nfs/dbraw/zinc/94/64/01/563946401.db2.gz ZURAAVHWZVJIPG-UHFFFAOYSA-N 0 0 311.362 4.118 50 0 DIAARN CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc2sccc21 ZINC000008063386 563946481 /nfs/dbraw/zinc/94/64/81/563946481.db2.gz LJNARQCLXYBMGQ-UHFFFAOYSA-N 0 0 323.343 4.347 50 0 DIAARN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000008062440 563946501 /nfs/dbraw/zinc/94/65/01/563946501.db2.gz RSZDOXZZKSXFGY-OAHLLOKOSA-N 0 0 323.392 4.306 50 0 DIAARN CCCCOc1ccc(C(=O)NC2CCCCCC2)cc1OC ZINC000008085411 563946596 /nfs/dbraw/zinc/94/65/96/563946596.db2.gz DQVGNTFHFQGECP-UHFFFAOYSA-N 0 0 319.445 4.327 50 0 DIAARN O=C(NC1CCCCCC1)c1ccc(COc2ccccc2)o1 ZINC000008085257 563946616 /nfs/dbraw/zinc/94/66/16/563946616.db2.gz PZYSAQDNRYYLLI-UHFFFAOYSA-N 0 0 313.397 4.311 50 0 DIAARN C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000008086165 563946633 /nfs/dbraw/zinc/94/66/33/563946633.db2.gz AQULJRXVLIVNGO-CYBMUJFWSA-N 0 0 315.800 4.180 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)C3CC3)c3ccccc3n2)o1 ZINC000008132168 563946773 /nfs/dbraw/zinc/94/67/73/563946773.db2.gz ZPLJAGGXHCYGSF-ZDUSSCGKSA-N 0 0 320.392 4.332 50 0 DIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1F ZINC000008131651 563946786 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C[C@@H]1CCc2nc(NC(=O)Nc3ccccc3F)sc2C1 ZINC000008405368 563948691 /nfs/dbraw/zinc/94/86/91/563948691.db2.gz QSXJEATYESAXOF-SECBINFHSA-N 0 0 305.378 4.051 50 0 DIAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1CCCCC1 ZINC000008489585 563948749 /nfs/dbraw/zinc/94/87/49/563948749.db2.gz OCZZIJTUECYLEM-LLVKDONJSA-N 0 0 320.483 4.226 50 0 DIAARN CCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21 ZINC000067261440 563948752 /nfs/dbraw/zinc/94/87/52/563948752.db2.gz HGYLSGCDAITQBY-UHFFFAOYSA-N 0 0 323.787 4.030 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 ZINC000008480743 563948912 /nfs/dbraw/zinc/94/89/12/563948912.db2.gz AAKWRXPMPJUPKT-MRXNPFEDSA-N 0 0 301.430 4.077 50 0 DIAARN Cc1cc(C)nc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000008548808 563949056 /nfs/dbraw/zinc/94/90/56/563949056.db2.gz VEAUSIJIBQBMKK-UHFFFAOYSA-N 0 0 316.404 4.469 50 0 DIAARN CCCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000008628187 563949527 /nfs/dbraw/zinc/94/95/27/563949527.db2.gz KKNWLDAZEQGJTF-QGZVFWFLSA-N 0 0 307.397 4.224 50 0 DIAARN COc1ccc(OCCCn2c(C)nc3cc(C)c(C)cc32)cc1 ZINC000008614179 563949628 /nfs/dbraw/zinc/94/96/28/563949628.db2.gz RRNVXCGTHCPFKZ-UHFFFAOYSA-N 0 0 324.424 4.439 50 0 DIAARN Cc1c2ccccc2sc1C(=O)CSc1nncs1 ZINC000008704768 563949704 /nfs/dbraw/zinc/94/97/04/563949704.db2.gz SIERCCNYDHLBFS-UHFFFAOYSA-N 0 0 306.437 4.036 50 0 DIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)nc1 ZINC000008704722 563949807 /nfs/dbraw/zinc/94/98/07/563949807.db2.gz YCUFOTMICFLFNB-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN CC(C)c1ccccc1NC(=S)NCc1ccccc1F ZINC000008685137 563949826 /nfs/dbraw/zinc/94/98/26/563949826.db2.gz LLQHICTXWWZCJV-UHFFFAOYSA-N 0 0 302.418 4.436 50 0 DIAARN COc1cc(CC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1C ZINC000008705108 563949831 /nfs/dbraw/zinc/94/98/31/563949831.db2.gz MXEOOJDYTMFZBY-CQSZACIVSA-N 0 0 323.392 4.170 50 0 DIAARN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000008707616 563949984 /nfs/dbraw/zinc/94/99/84/563949984.db2.gz HORDQZLXTGAYCE-AWEZNQCLSA-N 0 0 322.408 4.167 50 0 DIAARN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000008729006 563950379 /nfs/dbraw/zinc/95/03/79/563950379.db2.gz JDUMRWVYRLTFMV-MRVPVSSYSA-N 0 0 313.159 4.019 50 0 DIAARN Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000008747685 563950380 /nfs/dbraw/zinc/95/03/80/563950380.db2.gz BCISRIRPQKPWKO-UHFFFAOYSA-N 0 0 306.365 4.221 50 0 DIAARN COC(=O)c1c(NC(=O)C(C)(C)C)scc1-c1cccs1 ZINC000008844213 563950917 /nfs/dbraw/zinc/95/09/17/563950917.db2.gz AVZUTMVKPFJWBC-UHFFFAOYSA-N 0 0 323.439 4.248 50 0 DIAARN COc1ccc2cc(C(=O)Nc3cc(C)ccc3OC)ccc2c1 ZINC000008852108 563950920 /nfs/dbraw/zinc/95/09/20/563950920.db2.gz KQYFEIBFEDKBIZ-UHFFFAOYSA-N 0 0 321.376 4.418 50 0 DIAARN Cc1noc(C)c1CNc1cccc(OCC(F)(F)F)c1C ZINC000068963296 563951338 /nfs/dbraw/zinc/95/13/38/563951338.db2.gz XVIFDYRSQGIZHT-UHFFFAOYSA-N 0 0 314.307 4.153 50 0 DIAARN CCNC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC000040156495 563951622 /nfs/dbraw/zinc/95/16/22/563951622.db2.gz AQRUYUIYGFWKNO-LJQANCHMSA-N 0 0 308.425 4.214 50 0 DIAARN CCNC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC000040156496 563951687 /nfs/dbraw/zinc/95/16/87/563951687.db2.gz AQRUYUIYGFWKNO-IBGZPJMESA-N 0 0 308.425 4.214 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1 ZINC000040156607 563951700 /nfs/dbraw/zinc/95/17/00/563951700.db2.gz FLKQCNZUYRLMDP-KBPBESRZSA-N 0 0 318.486 4.234 50 0 DIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1Cl ZINC000245053620 563952063 /nfs/dbraw/zinc/95/20/63/563952063.db2.gz PDEAEEMQIVSLKV-LBPRGKRZSA-N 0 0 313.784 4.447 50 0 DIAARN Cc1nc(CSCCC(=O)Nc2ccccc2C)cs1 ZINC000009065668 563952215 /nfs/dbraw/zinc/95/22/15/563952215.db2.gz JSHUMPKKPJYDII-UHFFFAOYSA-N 0 0 306.456 4.022 50 0 DIAARN COc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000009112130 563952452 /nfs/dbraw/zinc/95/24/52/563952452.db2.gz JBSUDQPMHWDNGW-UHFFFAOYSA-N 0 0 309.321 4.333 50 0 DIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)c(C)c1 ZINC000009113230 563952522 /nfs/dbraw/zinc/95/25/22/563952522.db2.gz SDZYJLOVKFKCJH-LBPRGKRZSA-N 0 0 304.340 4.021 50 0 DIAARN 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YDCUGUYJRLCUNK-INIZCTEOSA-N 0 0 301.365 4.016 50 0 DIAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1cc(F)ccc1F ZINC000009528171 563956641 /nfs/dbraw/zinc/95/66/41/563956641.db2.gz NLGGDCJABOHZKQ-INIZCTEOSA-N 0 0 319.355 4.155 50 0 DIAARN Cc1ccc2nc3sc(C(=O)NCc4ccco4)cc3cc2c1 ZINC000009528667 563956750 /nfs/dbraw/zinc/95/67/50/563956750.db2.gz PMRMSGWFADAGMK-UHFFFAOYSA-N 0 0 322.389 4.281 50 0 DIAARN CCCS[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1 ZINC000009553354 563956799 /nfs/dbraw/zinc/95/67/99/563956799.db2.gz XWTULHYPJDKGEU-GOSISDBHSA-N 0 0 301.455 4.369 50 0 DIAARN O=C(Nc1cc2c(cc1Cl)OCO2)c1cc2ccccc2o1 ZINC000009608045 563957108 /nfs/dbraw/zinc/95/71/08/563957108.db2.gz KJVPQSHLETUDPN-UHFFFAOYSA-N 0 0 315.712 4.067 50 0 DIAARN CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccncc1 ZINC000070727095 563957119 /nfs/dbraw/zinc/95/71/19/563957119.db2.gz YHROCOCAJGKBJF-ZDUSSCGKSA-N 0 0 300.427 4.073 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000009597869 563957130 /nfs/dbraw/zinc/95/71/30/563957130.db2.gz UYRMKZSUUHWBAN-CQSZACIVSA-N 0 0 318.804 4.400 50 0 DIAARN CCCN(CCC)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 ZINC000009627505 563957132 /nfs/dbraw/zinc/95/71/32/563957132.db2.gz IBYUYOXOHUFXIG-UHFFFAOYSA-N 0 0 323.444 4.059 50 0 DIAARN Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1C1CC1 ZINC000009591812 563957149 /nfs/dbraw/zinc/95/71/49/563957149.db2.gz VOWVLYOQMFZFRW-CQSZACIVSA-N 0 0 317.458 4.154 50 0 DIAARN O=C(Cn1ccc2c1cccc2Cl)Nc1cccc2[nH]ccc21 ZINC000070666498 563957229 /nfs/dbraw/zinc/95/72/29/563957229.db2.gz JQEPGZMMQOGKLE-UHFFFAOYSA-N 0 0 323.783 4.415 50 0 biogenic DIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3F)n[nH]2)cc1 ZINC000009677609 563957352 /nfs/dbraw/zinc/95/73/52/563957352.db2.gz HAJDSFHMXRIRAA-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN CCN(CCCNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000009920057 563957899 /nfs/dbraw/zinc/95/78/99/563957899.db2.gz UKSKWTQPXGXYKY-UHFFFAOYSA-N 0 0 322.408 4.079 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccccc1 ZINC000009895537 563957912 /nfs/dbraw/zinc/95/79/12/563957912.db2.gz MCYKJBWDGLFEET-FQEVSTJZSA-N 0 0 318.420 4.464 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000010037116 563958216 /nfs/dbraw/zinc/95/82/16/563958216.db2.gz SOMHXEWDSBPARQ-UHFFFAOYSA-N 0 0 317.801 4.271 50 0 DIAARN Cc1cccc(OCCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000010213795 563958365 /nfs/dbraw/zinc/95/83/65/563958365.db2.gz TZRHVXNUPIKJRM-UHFFFAOYSA-N 0 0 323.314 4.421 50 0 DIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccncc2)cc1C ZINC000071835231 563959025 /nfs/dbraw/zinc/95/90/25/563959025.db2.gz XCJJLNQNSBDVRO-XUVXKRRUSA-N 0 0 320.436 4.166 50 0 DIAARN CCOC(=O)c1ccc(N[C@@H](C)c2ccc(SC)cc2)nc1 ZINC000071844446 563959205 /nfs/dbraw/zinc/95/92/05/563959205.db2.gz YDJLFRIGLJWOJQ-LBPRGKRZSA-N 0 0 316.426 4.153 50 0 DIAARN Cc1nc(SCC(=O)c2ccc(OC(C)C)cc2)oc1C ZINC000071850183 563959230 /nfs/dbraw/zinc/95/92/30/563959230.db2.gz AGAHTYDJTQGOBO-UHFFFAOYSA-N 0 0 305.399 4.054 50 0 DIAARN CCOc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000010463950 563959438 /nfs/dbraw/zinc/95/94/38/563959438.db2.gz KLQMOXIKMKCOAB-UHFFFAOYSA-N 0 0 323.314 4.034 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nc3ccccc3nc2C)C1(C)C ZINC000071872191 563959446 /nfs/dbraw/zinc/95/94/46/563959446.db2.gz OEVGNJQSYVEFCE-KDOFPFPSSA-N 0 0 324.424 4.220 50 0 DIAARN COc1ccc(C(=O)c2ccc(C)cc2)c2c(OC)cccc12 ZINC000202227623 563959672 /nfs/dbraw/zinc/95/96/72/563959672.db2.gz WEUKCFVPQBAJTB-UHFFFAOYSA-N 0 0 306.361 4.396 50 0 DIAARN c1ccc(N=c2oc3ccccc3nc2Nc2ccccc2)cc1 ZINC000242522245 563960152 /nfs/dbraw/zinc/96/01/52/563960152.db2.gz INKCUMHTRPIKSY-UHFFFAOYSA-N 0 0 313.360 4.804 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)N3Cc4ccccc4C3)c2c1 ZINC000077320293 563960731 /nfs/dbraw/zinc/96/07/31/563960731.db2.gz JKZXEVHXCHWJCT-UHFFFAOYSA-N 0 0 302.377 4.008 50 0 DIAARN Cc1ccccc1C(=O)NCC[C@H](O)c1cccc2ccccc21 ZINC000077116325 563960759 /nfs/dbraw/zinc/96/07/59/563960759.db2.gz VYNJPUWWWFNBJB-FQEVSTJZSA-N 0 0 319.404 4.002 50 0 DIAARN CSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1C ZINC000077182266 563960762 /nfs/dbraw/zinc/96/07/62/563960762.db2.gz NHWMHGOHWRWDKP-NSHDSACASA-N 0 0 300.855 4.254 50 0 DIAARN Cc1ccc(C)c(C[S@@](=O)Cc2csc(C(C)C)n2)c1 ZINC000078394552 563960878 /nfs/dbraw/zinc/96/08/78/563960878.db2.gz OJSSWBRHRFHLBN-FQEVSTJZSA-N 0 0 307.484 4.332 50 0 DIAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC3)o2)cc1 ZINC000078578534 563961231 /nfs/dbraw/zinc/96/12/31/563961231.db2.gz CDIBQPHXPMBAJJ-UHFFFAOYSA-N 0 0 318.376 4.163 50 0 DIAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)Nc1ccccc1C ZINC000034791965 563961815 /nfs/dbraw/zinc/96/18/15/563961815.db2.gz LQJRHSIYLZIJBP-UHFFFAOYSA-N 0 0 306.369 4.338 50 0 DIAARN CC(C)Oc1ccc(N(Cc2ccccc2)C(=O)C(C)C)cn1 ZINC000034839796 563961863 /nfs/dbraw/zinc/96/18/63/563961863.db2.gz RTJCKRFROXBHQW-UHFFFAOYSA-N 0 0 312.413 4.058 50 0 DIAARN C[C@H]1CCc2sc3ncn4c(nnc4-c4ccccc4)c3c2C1 ZINC000013624199 568412548 /nfs/dbraw/zinc/41/25/48/568412548.db2.gz PFMIFNBBJADTDH-NSHDSACASA-N 0 0 320.421 4.131 50 0 DIAARN CCOc1ccccc1-c1nc2c(C)[nH]n([C@@H](C)C3CC3)c-2n1 ZINC000048063490 568413087 /nfs/dbraw/zinc/41/30/87/568413087.db2.gz FBNCVPYESVCBRA-LBPRGKRZSA-N 0 0 310.401 4.105 50 0 DIAARN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000000200822 568413671 /nfs/dbraw/zinc/41/36/71/568413671.db2.gz GUBRWNXUTUHYNA-AWEZNQCLSA-N 0 0 307.397 4.108 50 0 DIAARN CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008612465 568414507 /nfs/dbraw/zinc/41/45/07/568414507.db2.gz YLFRRPUBVUAHSR-VTLVALNESA-N 0 0 314.469 4.435 50 0 biogenic DIAARN CCCc1ccc(C(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 ZINC000211116260 568415263 /nfs/dbraw/zinc/41/52/63/568415263.db2.gz PYIQBZAFQJJYCC-FQEVSTJZSA-N 0 0 322.452 4.038 50 0 DIAARN C[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032907063 568416496 /nfs/dbraw/zinc/41/64/96/568416496.db2.gz SEDNWHMGVIUORD-NSHDSACASA-N 0 0 303.789 4.471 50 0 DIAARN CN(Cc1cscn1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000049029862 568415691 /nfs/dbraw/zinc/41/56/91/568415691.db2.gz LVXRCIRPPXHKPZ-UHFFFAOYSA-N 0 0 316.213 4.114 50 0 DIAARN C[C@@H](Sc1nnc2[nH]c3ccccc3n21)c1ccc(F)cc1 ZINC000032911133 568416499 /nfs/dbraw/zinc/41/64/99/568416499.db2.gz IXIZJXGTTCUKBI-SNVBAGLBSA-N 0 0 312.373 4.203 50 0 DIAARN CCc1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1 ZINC000032947646 568416585 /nfs/dbraw/zinc/41/65/85/568416585.db2.gz QUNINMHGVYEZAH-UHFFFAOYSA-N 0 0 303.431 4.260 50 0 DIAARN CC[C@H](C)NC(=O)c1ccc(CSCc2cccc(F)c2)o1 ZINC000003059412 568416796 /nfs/dbraw/zinc/41/67/96/568416796.db2.gz YCZSMWXUMBWTJG-LBPRGKRZSA-N 0 0 321.417 4.380 50 0 DIAARN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc(C3CC3)on2)cc1 ZINC000239761313 568416902 /nfs/dbraw/zinc/41/69/02/568416902.db2.gz CJLSHOJEDPDYRJ-WMZOPIPTSA-N 0 0 324.424 4.269 50 0 DIAARN O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ncoc1C1CC1 ZINC000293978236 568417319 /nfs/dbraw/zinc/41/73/19/568417319.db2.gz DOIXKEDBSFWPEX-UHFFFAOYSA-N 0 0 316.788 4.015 50 0 DIAARN Cc1ccc(CSCCC(=O)Nc2ccccc2F)cc1 ZINC000012977930 568418458 /nfs/dbraw/zinc/41/84/58/568418458.db2.gz LHFIJMVEVDPKMP-UHFFFAOYSA-N 0 0 303.402 4.396 50 0 DIAARN O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc[nH]1 ZINC000006320822 568418642 /nfs/dbraw/zinc/41/86/42/568418642.db2.gz SMLFXJHHKMGQNN-UHFFFAOYSA-N 0 0 308.815 4.253 50 0 DIAARN CN1CCCc2c(c3cc(F)ccc3n2CCc2ccccc2)C1 ZINC000075567367 568418693 /nfs/dbraw/zinc/41/86/93/568418693.db2.gz FBUOCUFIMAHLQN-UHFFFAOYSA-N 0 0 322.427 4.401 50 0 DIAARN Cc1cc(C)cc(-n2ccnc(SCc3ccccc3)c2=O)c1 ZINC000006915471 568418961 /nfs/dbraw/zinc/41/89/61/568418961.db2.gz WHMAXKWEKXQDDU-UHFFFAOYSA-N 0 0 322.433 4.142 50 0 DIAARN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2ccccc2n1 ZINC000007060723 568419185 /nfs/dbraw/zinc/41/91/85/568419185.db2.gz RXWGQWPUKOLAKE-UHFFFAOYSA-N 0 0 310.784 4.160 50 0 DIAARN CC[C@@H]1CCCCCN1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000170635699 568420491 /nfs/dbraw/zinc/42/04/91/568420491.db2.gz ANPREKXQZULBIR-ZACQAIPSSA-N 0 0 324.509 4.192 50 0 DIAARN Cc1cc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)nc(-c2ccncc2)n1 ZINC000252669917 568421147 /nfs/dbraw/zinc/42/11/47/568421147.db2.gz IZFCNRXJMUSLIT-BMGDILEWSA-N 0 0 322.456 4.252 50 0 DIAARN O=c1cc(-c2cccc(Br)c2)oc2ccccc12 ZINC000000265291 568421590 /nfs/dbraw/zinc/42/15/90/568421590.db2.gz YFEZLTPSCJWVHI-UHFFFAOYSA-N 0 0 301.139 4.223 50 0 in-vivo DIAARN C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C ZINC000003881977 574412123 /nfs/dbraw/zinc/41/21/23/574412123.db2.gz UXYRZJKIQKRJCF-TZPFWLJSSA-N 0 0 304.474 4.205 50 0 endogenous,in-man DIAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(F)c1 ZINC000025052470 1036266340 /nfs/dbraw/zinc/26/63/40/1036266340.db2.gz RCHAFELNGVEGOE-LLVKDONJSA-N 0 0 307.752 4.194 50 0 DIAARN O=C(CCc1ccccc1Cl)Nc1cnc2ccccc2c1 ZINC000025156327 1036271116 /nfs/dbraw/zinc/27/11/16/1036271116.db2.gz MLNGKLVJAJDCHS-UHFFFAOYSA-N 0 0 310.784 4.460 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)C2CCC(C)CC2)cc1 ZINC000003108379 1036445646 /nfs/dbraw/zinc/44/56/46/1036445646.db2.gz KISBIZILKUBIQB-UHFFFAOYSA-N 0 0 303.402 4.018 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000060052 1038007342 /nfs/dbraw/zinc/00/73/42/1038007342.db2.gz FDSVPQHFCDZSAD-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN CSc1cccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 ZINC000011326419 1038104594 /nfs/dbraw/zinc/10/45/94/1038104594.db2.gz HKCGYZOGDAIZGK-MRXNPFEDSA-N 0 0 315.463 4.372 50 0 DIAARN COc1ccc(CC(=O)Nc2ccc3sccc3c2)cc1C ZINC000013971745 1038116071 /nfs/dbraw/zinc/11/60/71/1038116071.db2.gz HNUJLANWKPLYHG-UHFFFAOYSA-N 0 0 311.406 4.400 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 ZINC000250853068 1038143836 /nfs/dbraw/zinc/14/38/36/1038143836.db2.gz NJVFRSJSXBLKOW-WMKCGOMXSA-N 0 0 314.469 4.245 50 0 biogenic DIAARN C/C=C/c1ccc(Oc2c(F)c(F)nc(F)c2F)c(OC)c1 ZINC000170660275 1038158635 /nfs/dbraw/zinc/15/86/35/1038158635.db2.gz PHGTVKUHLDKQJE-ONEGZZNKSA-N 0 0 313.250 4.472 50 0 DIAARN Cc1c(NC[C@@H](C)c2ccccc2)cccc1N1CCOC1=O ZINC000194168753 1038315044 /nfs/dbraw/zinc/31/50/44/1038315044.db2.gz ILPCAXLXHGKANR-CQSZACIVSA-N 0 0 310.397 4.167 50 0 DIAARN O=S(=O)(/C=C/C=C/Sc1ccccc1)c1ccccc1 ZINC000002835695 1038638990 /nfs/dbraw/zinc/63/89/90/1038638990.db2.gz GFTIFHCOENKKEV-FNCQTZNRSA-N 0 0 302.420 4.280 50 0 DIAARN CCCc1nc(CNc2ccccc2N2CCCCCC2)no1 ZINC000172866752 1038649214 /nfs/dbraw/zinc/64/92/14/1038649214.db2.gz GZDCPUOWPXOMAC-UHFFFAOYSA-N 0 0 314.433 4.015 50 0 DIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C\c2cccc(C)c2)s1 ZINC000007777583 1039259982 /nfs/dbraw/zinc/25/99/82/1039259982.db2.gz AHRZOMSFXALZTQ-GXDHUFHOSA-N 0 0 322.433 4.273 50 0 DIAARN Cc1nc(C2CC2)oc1C(=O)N1CCCC[C@@H]2CCCC[C@H]21 ZINC000252527821 1039754308 /nfs/dbraw/zinc/75/43/08/1039754308.db2.gz DLICUDJEIGAGDD-DZGCQCFKSA-N 0 0 302.418 4.045 50 0 DIAARN Fc1ccc2oc(CN3CC=C(c4cccs4)CC3)nc2c1 ZINC000151569974 1039790339 /nfs/dbraw/zinc/79/03/39/1039790339.db2.gz PAHJNSMQQORCDS-UHFFFAOYSA-N 0 0 314.385 4.318 50 0 DIAARN CCOC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1 ZINC000000528796 1039958472 /nfs/dbraw/zinc/95/84/72/1039958472.db2.gz GVMYBYCRQPWGAZ-UHFFFAOYSA-N 0 0 312.369 4.124 50 0 DIAARN COc1ccc2ccccc2c1CNc1ccc2cn[nH]c2c1 ZINC000023283047 1040564483 /nfs/dbraw/zinc/56/44/83/1040564483.db2.gz MOKLCCPUIYTOQM-UHFFFAOYSA-N 0 0 303.365 4.337 50 0 DIAARN O=C(CCc1ccoc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000177233646 1040580715 /nfs/dbraw/zinc/58/07/15/1040580715.db2.gz UVYLZIPMPXLDKY-GOSISDBHSA-N 0 0 301.361 4.009 50 0 DIAARN O=C(CC1CCCC1)N1CC[C@@H](CCOc2ccccc2F)C1 ZINC000581788337 1040882834 /nfs/dbraw/zinc/88/28/34/1040882834.db2.gz HBSWMGSNIKOQPX-INIZCTEOSA-N 0 0 319.420 4.023 50 0 DIAARN CCC(CC)n1nc(C(=O)N2CCC[C@H]2C2CCCC2)cc1C ZINC000180424377 1041149220 /nfs/dbraw/zinc/14/92/20/1041149220.db2.gz CUHWRAUMOWSEHI-SFHVURJKSA-N 0 0 317.477 4.347 50 0 DIAARN O=C(/C=C/c1cccnc1)N[C@H](c1cccs1)C1CCCC1 ZINC000031803603 1041437701 /nfs/dbraw/zinc/43/77/01/1041437701.db2.gz OIQKVLWAMNNOGX-BBVFFXRHSA-N 0 0 312.438 4.204 50 0 DIAARN COc1cc(OC)c(NC(=O)/C=C/c2cccs2)cc1Cl ZINC000014016850 1041520328 /nfs/dbraw/zinc/52/03/28/1041520328.db2.gz HGLYKTRDORWNIC-AATRIKPKSA-N 0 0 323.801 4.071 50 0 DIAARN O=C(/C=C/c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000014117599 1041548825 /nfs/dbraw/zinc/54/88/25/1041548825.db2.gz AFTWRMOQLJMUOM-BQYQJAHWSA-N 0 0 313.300 4.299 50 0 DIAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 ZINC000000579748 1041583041 /nfs/dbraw/zinc/58/30/41/1041583041.db2.gz HRKLMMSGNCTGRI-SNVBAGLBSA-N 0 0 310.180 4.399 50 0 DIAARN O=C(Nc1c(F)cccc1N1CCCC1)c1ccc2[nH]ccc2c1 ZINC000110276485 1041605495 /nfs/dbraw/zinc/60/54/95/1041605495.db2.gz VSFYYBOWPKNSOD-UHFFFAOYSA-N 0 0 323.371 4.160 50 0 DIAARN Cc1cc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc1C ZINC000675029568 1041679820 /nfs/dbraw/zinc/67/98/20/1041679820.db2.gz MWEGJNRCBVXYTR-UHFFFAOYSA-N 0 0 316.813 4.380 50 0 DIAARN C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1nc2ccccc2o1 ZINC000053314896 1041683473 /nfs/dbraw/zinc/68/34/73/1041683473.db2.gz FPFHYAUQODUPGV-PRDAAYKISA-N 0 0 312.394 4.122 50 0 DIAARN COc1ccc(-c2nc(NC(=O)[C@H](C)C3CC3)sc2C)cc1 ZINC000178376467 1041712594 /nfs/dbraw/zinc/71/25/94/1041712594.db2.gz OOSADYNWTUXZGD-SNVBAGLBSA-N 0 0 316.426 4.112 50 0 DIAARN O=C(/C=C/c1cccs1)NCCCSc1ccccc1 ZINC000014996761 1041737502 /nfs/dbraw/zinc/73/75/02/1041737502.db2.gz WEBNPJPHFFLMBO-MDZDMXLPSA-N 0 0 303.452 4.060 50 0 DIAARN Cc1c(NC(=O)c2cnc3ccccc3c2)cnn1C1CCCC1 ZINC000296980680 1041741021 /nfs/dbraw/zinc/74/10/21/1041741021.db2.gz FIRFZOUNMZIMFL-UHFFFAOYSA-N 0 0 320.396 4.107 50 0 DIAARN Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)no1 ZINC000047129678 1041781909 /nfs/dbraw/zinc/78/19/09/1041781909.db2.gz RAANRLYDUFJLFQ-INIZCTEOSA-N 0 0 317.364 4.175 50 0 DIAARN Cc1c[nH]c(CN2CCOc3ccc(C4=CCCCC4)cc3C2)n1 ZINC000299761530 1041824030 /nfs/dbraw/zinc/82/40/30/1041824030.db2.gz UWAUOTQIFVMGIE-UHFFFAOYSA-N 0 0 323.440 4.070 50 0 DIAARN Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1 ZINC000003166302 1041849200 /nfs/dbraw/zinc/84/92/00/1041849200.db2.gz HNZBFGHFLMCCJY-MRXNPFEDSA-N 0 0 320.219 4.449 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C)c(C)c2)on1 ZINC000106832884 1041853634 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ZINC000012054737 1056955341 /nfs/dbraw/zinc/95/53/41/1056955341.db2.gz JINIXQFRNVTXPG-GOSISDBHSA-N 0 0 318.436 4.199 50 0 DIAARN CCCOc1c(Cl)cc(/C=C\c2cncc(C)n2)cc1OC ZINC000606443555 1057612581 /nfs/dbraw/zinc/61/25/81/1057612581.db2.gz GVBVHTMZKSENIO-WAYWQWQTSA-N 0 0 318.804 4.406 50 0 DIAARN O=c1[nH]c2ccccc2nc1/C=C\c1cccc(Cl)c1Cl ZINC000606443318 1057612835 /nfs/dbraw/zinc/61/28/35/1057612835.db2.gz OUZXQFISWXKRPL-HJWRWDBZSA-N 0 0 317.175 4.400 50 0 DIAARN CCCC[C@H](NC(=O)CCc1ccc(F)cc1)c1cccnc1 ZINC000822830893 1057810772 /nfs/dbraw/zinc/81/07/72/1057810772.db2.gz DIIPASLKAYWQAS-SFHVURJKSA-N 0 0 314.404 4.201 50 0 DIAARN Cc1cnn(C2CCCC2)c1NC(=O)c1csc(C(C)C)n1 ZINC001529095765 1058608375 /nfs/dbraw/zinc/60/83/75/1058608375.db2.gz XEWWMZYXMXSLEF-UHFFFAOYSA-N 0 0 318.446 4.139 50 0 DIAARN Cc1cnn(C2CCCC2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001529133561 1058617438 /nfs/dbraw/zinc/61/74/38/1058617438.db2.gz OXALWUJUMZKPAT-DLBZAZTESA-N 0 0 309.413 4.049 50 0 DIAARN 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O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccnc1 ZINC000000146745 180708452 /nfs/dbraw/zinc/70/84/52/180708452.db2.gz HUTGEFJXICYPKZ-UHFFFAOYSA-N 0 0 319.364 4.305 50 0 DIAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1 ZINC000000149874 180709397 /nfs/dbraw/zinc/70/93/97/180709397.db2.gz QVGBTMGVXWMWLU-UHFFFAOYSA-N 0 0 309.793 4.351 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)o1 ZINC000000190222 180720594 /nfs/dbraw/zinc/72/05/94/180720594.db2.gz AKXDIFHFCCSPFE-FNORWQNLSA-N 0 0 316.407 4.425 50 0 DIAARN CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000000193076 180720921 /nfs/dbraw/zinc/72/09/21/180720921.db2.gz CDHZUFZVAFBDBU-CABZTGNLSA-N 0 0 315.196 4.213 50 0 DIAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222928 180731126 /nfs/dbraw/zinc/73/11/26/180731126.db2.gz KIBNYUGLVAQCCK-ZWKOTPCHSA-N 0 0 304.397 4.041 50 0 DIAARN Cc1ccc2oc(S[C@@H](C)c3nc(C4CC4)no3)nc2c1 ZINC000072626408 191203932 /nfs/dbraw/zinc/20/39/32/191203932.db2.gz VHUAZORSWGHSFG-VIFPVBQESA-N 0 0 301.371 4.250 50 0 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Cc1cc(Br)ccc1NC(=O)/C=C/c1ccco1 ZINC000000310080 180755648 /nfs/dbraw/zinc/75/56/48/180755648.db2.gz AXZXWAOZMSZXRO-FNORWQNLSA-N 0 0 306.159 4.002 50 0 DIAARN CC[C@H]1C[C@](C)(c2csc(Nc3ccccc3)n2)OC1=O ZINC000000345958 180762891 /nfs/dbraw/zinc/76/28/91/180762891.db2.gz SWTBNNNBHYZFID-MEDUHNTESA-N 0 0 302.399 4.075 50 0 DIAARN COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000000374241 180769773 /nfs/dbraw/zinc/76/97/73/180769773.db2.gz HKLRGIPEGZQACG-UHFFFAOYSA-N 0 0 321.323 4.166 50 0 DIAARN COC(=O)c1c(C)c(C)sc1NC(=O)CCC1CCCC1 ZINC000000376014 180770532 /nfs/dbraw/zinc/77/05/32/180770532.db2.gz LZMSGIXSRSSWCI-UHFFFAOYSA-N 0 0 309.431 4.060 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000376455 180771244 /nfs/dbraw/zinc/77/12/44/180771244.db2.gz VLPXSTAONULBRJ-CSKARUKUSA-N 0 0 323.392 4.499 50 0 DIAARN CCOc1ccccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000000379542 180771626 /nfs/dbraw/zinc/77/16/26/180771626.db2.gz NGAPIGNDIVQTLN-AWEZNQCLSA-N 0 0 315.438 4.346 50 0 DIAARN CN(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000000379776 180771829 /nfs/dbraw/zinc/77/18/29/180771829.db2.gz GODIPIVUYYDCMJ-UHFFFAOYSA-N 0 0 305.830 4.091 50 0 DIAARN COC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1 ZINC000000386286 180774108 /nfs/dbraw/zinc/77/41/08/180774108.db2.gz AYTIWJQZTMVDGN-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000356121 180765974 /nfs/dbraw/zinc/76/59/74/180765974.db2.gz XODLHUZYTNALJR-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN CCN(C(=O)COc1ccc(Cl)cc1C)c1ccccc1 ZINC000000358950 180766272 /nfs/dbraw/zinc/76/62/72/180766272.db2.gz OJACIUZKCFKSPA-UHFFFAOYSA-N 0 0 303.789 4.080 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1Cl ZINC000000364952 180767682 /nfs/dbraw/zinc/76/76/82/180767682.db2.gz HTKASQKWXIABBI-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000000364920 180767690 /nfs/dbraw/zinc/76/76/90/180767690.db2.gz XSHMNTHPFCDUMP-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN COc1ccc(CCCC(=O)Nc2cccc(F)c2C)c(C)c1 ZINC000000366327 180768204 /nfs/dbraw/zinc/76/82/04/180768204.db2.gz ZYENZKZSAWGPSI-UHFFFAOYSA-N 0 0 315.388 4.413 50 0 DIAARN CCc1nc2ccccc2c(C(=O)Nc2ccc(F)cc2)c1C ZINC000000411488 180779589 /nfs/dbraw/zinc/77/95/89/180779589.db2.gz QEJHBXKYOZNQIA-UHFFFAOYSA-N 0 0 308.356 4.497 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cn2)c1 ZINC000000443673 180792209 /nfs/dbraw/zinc/79/22/09/180792209.db2.gz JYKHJBZMHALMAC-UHFFFAOYSA-N 0 0 318.804 4.184 50 0 DIAARN Cn1c2ccccc2nc1-c1ccc(C(=O)c2ccccc2)o1 ZINC000000441984 180792037 /nfs/dbraw/zinc/79/20/37/180792037.db2.gz TZBZNARKBGKUTJ-UHFFFAOYSA-N 0 0 302.333 4.064 50 0 DIAARN O=C1CS[C@@H](c2ccc(OC(F)F)cc2)N1c1ccccc1 ZINC000000423959 180785116 /nfs/dbraw/zinc/78/51/16/180785116.db2.gz DLHDBYAVTOQAQC-HNNXBMFYSA-N 0 0 321.348 4.067 50 0 DIAARN Cc1cccc(OCCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000000455359 180796607 /nfs/dbraw/zinc/79/66/07/180796607.db2.gz WFJJFHPLPXVUIM-UHFFFAOYSA-N 0 0 307.752 4.195 50 0 DIAARN Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000000458069 180796958 /nfs/dbraw/zinc/79/69/58/180796958.db2.gz WOVFDSGJUDNXSY-UHFFFAOYSA-N 0 0 303.833 4.203 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@H]1C ZINC000000461328 180798182 /nfs/dbraw/zinc/79/81/82/180798182.db2.gz YPLJIJRQNDNTDH-GHMZBOCLSA-N 0 0 316.228 4.162 50 0 DIAARN CC(=O)c1cccc(NC(=O)CSCc2ccc(C)cc2)c1 ZINC000000468915 180800318 /nfs/dbraw/zinc/80/03/18/180800318.db2.gz UGNBYZFRTRPOEN-UHFFFAOYSA-N 0 0 313.422 4.070 50 0 DIAARN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000000449988 180795064 /nfs/dbraw/zinc/79/50/64/180795064.db2.gz CULYPKRNCUJVMB-CYBMUJFWSA-N 0 0 319.857 4.451 50 0 DIAARN COc1ccc(-c2sc(NC(C)=O)nc2-c2ccccc2)cc1 ZINC000000451119 180795598 /nfs/dbraw/zinc/79/55/98/180795598.db2.gz FFRRZEKWTXQBGN-UHFFFAOYSA-N 0 0 324.405 4.444 50 0 DIAARN Cc1ccc(COc2ccc(C=O)cc2Br)cc1 ZINC000000454213 180796071 /nfs/dbraw/zinc/79/60/71/180796071.db2.gz DSRKQRVUZYZAMO-UHFFFAOYSA-N 0 0 305.171 4.149 50 0 DIAARN CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1 ZINC000000482490 180804742 /nfs/dbraw/zinc/80/47/42/180804742.db2.gz MKEXQWZOWQXPBG-UHFFFAOYSA-N 0 0 317.772 4.046 50 0 DIAARN Cc1sc(NC(=O)c2cccs2)c(C(=O)OC(C)C)c1C ZINC000000483777 180805395 /nfs/dbraw/zinc/80/53/95/180805395.db2.gz JSGVQDPOHUTVCT-UHFFFAOYSA-N 0 0 323.439 4.244 50 0 DIAARN COc1cccc(=O)c2c(C)n(-c3ccc(C)c(C)c3)c(C)c21 ZINC000000488086 180806112 /nfs/dbraw/zinc/80/61/12/180806112.db2.gz QGYQPWHTLHHOPA-UHFFFAOYSA-N 0 0 307.393 4.233 50 0 biogenic DIAARN CCCc1cc(-c2n[nH]cc2-c2ccccc2)c(O)cc1OC ZINC000000494207 180806856 /nfs/dbraw/zinc/80/68/56/180806856.db2.gz HISDUYJYNAXYPL-UHFFFAOYSA-N 0 0 308.381 4.410 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)F ZINC000000557742 180820821 /nfs/dbraw/zinc/82/08/21/180820821.db2.gz GXBDKTONHDTPKD-UHFFFAOYSA-N 0 0 311.715 4.123 50 0 DIAARN CCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 ZINC000000543871 180817721 /nfs/dbraw/zinc/81/77/21/180817721.db2.gz IUMKWWSZBUGFMM-UHFFFAOYSA-N 0 0 302.381 4.365 50 0 DIAARN O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000000544745 180818627 /nfs/dbraw/zinc/81/86/27/180818627.db2.gz SODOTVLOGAZANX-UHFFFAOYSA-N 0 0 316.335 4.192 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 ZINC000000580730 180825801 /nfs/dbraw/zinc/82/58/01/180825801.db2.gz ZKDQDUXWENMQCD-LLVKDONJSA-N 0 0 324.207 4.077 50 0 DIAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000000579710 180825815 /nfs/dbraw/zinc/82/58/15/180825815.db2.gz FQEOKDNKGGZGSB-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CCOc1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 ZINC000000612150 180828504 /nfs/dbraw/zinc/82/85/04/180828504.db2.gz YZVGVYMPQXNDJJ-UHFFFAOYSA-N 0 0 304.390 4.342 50 0 DIAARN CC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000000559749 180821689 /nfs/dbraw/zinc/82/16/89/180821689.db2.gz LKMGOLSRTADMAN-UHFFFAOYSA-N 0 0 312.388 4.314 50 0 DIAARN COc1ccc(-c2nc3ccccc3n2CC(C)C)cc1OC ZINC000000572620 180824245 /nfs/dbraw/zinc/82/42/45/180824245.db2.gz APPDLWZQRRBXPH-UHFFFAOYSA-N 0 0 310.397 4.377 50 0 DIAARN CC(C)Oc1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000000616695 180830432 /nfs/dbraw/zinc/83/04/32/180830432.db2.gz VODDMRRXIRMTBG-UHFFFAOYSA-N 0 0 303.789 4.057 50 0 DIAARN CC[C@@H](C)NC(=O)C[C@H](c1ccccc1)c1cc(C)ccc1O ZINC000000615931 180830437 /nfs/dbraw/zinc/83/04/37/180830437.db2.gz PJBIDBGHDIJLDC-NVXWUHKLSA-N 0 0 311.425 4.137 50 0 DIAARN Cc1ccc(C(=O)CCNc2ccc(Br)cc2)cc1 ZINC000000732256 180832177 /nfs/dbraw/zinc/83/21/77/180832177.db2.gz YOTBXRASDQGMCM-UHFFFAOYSA-N 0 0 318.214 4.442 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cc1cccs1 ZINC000001055925 180844184 /nfs/dbraw/zinc/84/41/84/180844184.db2.gz SBKUJXZEZQDANL-UHFFFAOYSA-N 0 0 303.427 4.235 50 0 DIAARN CC(=O)Oc1c(=O)c2ccccc2oc1-c1ccccc1Cl ZINC000000937019 180838181 /nfs/dbraw/zinc/83/81/81/180838181.db2.gz KCOUGGYUFREFDI-UHFFFAOYSA-N 0 0 314.724 4.039 50 0 DIAARN C[C@@H]1CCc2c(sc3ncnc(NCCc4ccccc4)c23)C1 ZINC000001006965 180840555 /nfs/dbraw/zinc/84/05/55/180840555.db2.gz YMLWLCLBGIKDOE-CYBMUJFWSA-N 0 0 323.465 4.471 50 0 DIAARN Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 ZINC000001016762 180841395 /nfs/dbraw/zinc/84/13/95/180841395.db2.gz PEHWSVYLPGQADN-UHFFFAOYSA-N 0 0 316.339 4.080 50 0 DIAARN CCOC(=O)[C@H](C(=O)Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000001225975 180849927 /nfs/dbraw/zinc/84/99/27/180849927.db2.gz TZXNUBZTZUPNKM-HNNXBMFYSA-N 0 0 323.820 4.038 50 0 DIAARN CCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000001219981 180849968 /nfs/dbraw/zinc/84/99/68/180849968.db2.gz ITEABBKBGREOJY-UHFFFAOYSA-N 0 0 318.376 4.441 50 0 DIAARN O=C(Nc1nnc(C2CCCCC2)s1)Nc1ccc(F)cc1 ZINC000001282587 180852667 /nfs/dbraw/zinc/85/26/67/180852667.db2.gz KTYCKMOWSKHJPP-UHFFFAOYSA-N 0 0 320.393 4.369 50 0 DIAARN Clc1ccc(-c2cnn3c2nccc3-c2ccncc2)cc1 ZINC000001384301 180857915 /nfs/dbraw/zinc/85/79/15/180857915.db2.gz RYISQSLNPJNSPR-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN COc1cc2ncnc(Nc3cccc(C)c3C)c2cc1OC ZINC000001386797 180858544 /nfs/dbraw/zinc/85/85/44/180858544.db2.gz YAVMUYQTOOVMFF-UHFFFAOYSA-N 0 0 309.369 4.007 50 0 DIAARN Cn1nc(-c2ccccc2)c(COCc2ccccc2)c1Cl ZINC000001388797 180859059 /nfs/dbraw/zinc/85/90/59/180859059.db2.gz DXQFIQZKDGRFEW-UHFFFAOYSA-N 0 0 312.800 4.457 50 0 DIAARN CCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCCCCCC1=O ZINC000001394473 180860236 /nfs/dbraw/zinc/86/02/36/180860236.db2.gz VWADWCHWRONRRC-YOEHRIQHSA-N 0 0 321.392 4.152 50 0 DIAARN Cc1ccc2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 ZINC000001472257 180869294 /nfs/dbraw/zinc/86/92/94/180869294.db2.gz DQNHOPJOXAMFKK-UHFFFAOYSA-N 0 0 317.801 4.093 50 0 DIAARN Cc1ccc(C(=O)CCNc2ccc(OC(F)(F)F)cc2)o1 ZINC000001425417 180864989 /nfs/dbraw/zinc/86/49/89/180864989.db2.gz ZUSDINCNCUBLTR-UHFFFAOYSA-N 0 0 313.275 4.172 50 0 DIAARN Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 ZINC000001829636 180897873 /nfs/dbraw/zinc/89/78/73/180897873.db2.gz IHEKWKZTUYZTBC-NRFANRHFSA-N 0 0 319.404 4.013 50 0 biogenic DIAARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000001940317 180903148 /nfs/dbraw/zinc/90/31/48/180903148.db2.gz GGUGBYBVPRRJAB-LLVKDONJSA-N 0 0 323.458 4.178 50 0 DIAARN C=CC(=O)NCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002272101 180917521 /nfs/dbraw/zinc/91/75/21/180917521.db2.gz SZATUVLGCVGAGI-UHFFFAOYSA-N 0 0 317.473 4.222 50 0 DIAARN COc1ccc([C@](O)(Cc2ccccc2)c2ccccc2)cc1 ZINC000002271027 180917614 /nfs/dbraw/zinc/91/76/14/180917614.db2.gz HCAAXEIAGZARHK-NRFANRHFSA-N 0 0 304.389 4.174 50 0 DIAARN CCCCn1cc(C(=O)OCC)c2cc(O)c3ccccc3c21 ZINC000002295373 180918723 /nfs/dbraw/zinc/91/87/23/180918723.db2.gz DZJAFCZFPLTMLP-UHFFFAOYSA-N 0 0 311.381 4.477 50 0 DIAARN O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc2ccccc12 ZINC000002476040 180926387 /nfs/dbraw/zinc/92/63/87/180926387.db2.gz WMFDCMTYCGPZOP-UHFFFAOYSA-N 0 0 312.193 4.156 50 0 DIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2F)N3)C1 ZINC000002492881 180927158 /nfs/dbraw/zinc/92/71/58/180927158.db2.gz OXMUJJPXNUBXPP-VFZGTOFNSA-N 0 0 316.401 4.441 50 0 DIAARN CCCc1cc(NC(C)C)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002351110 180920588 /nfs/dbraw/zinc/92/05/88/180920588.db2.gz ZYGLPYXKHMLURP-UHFFFAOYSA-N 0 0 308.429 4.478 50 0 DIAARN COc1ccc(CNC(=O)/C=C/c2ccc(CC(C)C)cc2)cc1 ZINC000002383643 180921773 /nfs/dbraw/zinc/92/17/73/180921773.db2.gz SSBVQOPDXYZDBH-JLHYYAGUSA-N 0 0 323.436 4.223 50 0 DIAARN Nc1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)cc1 ZINC000002532551 180932737 /nfs/dbraw/zinc/93/27/37/180932737.db2.gz HXLJKPHHLZAYQO-UHFFFAOYSA-N 0 0 304.180 4.428 50 0 DIAARN Clc1ccc(OCCSc2ncnc3ccccc32)cc1 ZINC000002503602 180928513 /nfs/dbraw/zinc/92/85/13/180928513.db2.gz JVOVJSQCUSFIJG-UHFFFAOYSA-N 0 0 316.813 4.454 50 0 DIAARN COc1cccc(C(=O)CCc2cccc(Br)c2)c1 ZINC000002516697 180930607 /nfs/dbraw/zinc/93/06/07/180930607.db2.gz WVHXPWAUNKPSFQ-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN CCOC(=O)c1cccc(C(=O)CCc2cc(C)cc(C)c2)c1 ZINC000002517690 180931375 /nfs/dbraw/zinc/93/13/75/180931375.db2.gz RXSHIOVBBTVWGQ-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN Cc1cc(OCc2cccc(F)c2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002553244 180934749 /nfs/dbraw/zinc/93/47/49/180934749.db2.gz VUPJQQOBLQKSFW-UHFFFAOYSA-N 0 0 324.351 4.308 50 0 DIAARN CCOC(=O)CCCCCC(=O)c1ccc(OC(C)C)cc1 ZINC000002580397 180936826 /nfs/dbraw/zinc/93/68/26/180936826.db2.gz JQAWSPIQJGJYHZ-UHFFFAOYSA-N 0 0 306.402 4.170 50 0 DIAARN CCOC(=O)CCCCCCC(=O)c1ccc(OCC)cc1 ZINC000002580390 180937165 /nfs/dbraw/zinc/93/71/65/180937165.db2.gz OXYMWRDETLOQGI-UHFFFAOYSA-N 0 0 306.402 4.172 50 0 DIAARN CC(C)C(=O)n1nc(-c2cccs2)c2c1-c1ccccc1C2 ZINC000002539532 180933180 /nfs/dbraw/zinc/93/31/80/180933180.db2.gz LTGOPBDCYHBIFG-UHFFFAOYSA-N 0 0 308.406 4.479 50 0 DIAARN Cc1ccccc1Nc1nnc(SC[C@H]2CCCCO2)s1 ZINC000002637004 180942265 /nfs/dbraw/zinc/94/22/65/180942265.db2.gz WWZSUUWEGNXGHP-GFCCVEGCSA-N 0 0 321.471 4.251 50 0 DIAARN COc1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1 ZINC000002635255 180942380 /nfs/dbraw/zinc/94/23/80/180942380.db2.gz YZJPZEBKPPOFNJ-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000002661286 180945620 /nfs/dbraw/zinc/94/56/20/180945620.db2.gz RHCFNTITLQSYKP-IBGZPJMESA-N 0 0 324.424 4.351 50 0 DIAARN Cc1ccc2oc(=O)n(CCCOc3ccc(Cl)cc3)c2c1 ZINC000002668944 180946206 /nfs/dbraw/zinc/94/62/06/180946206.db2.gz KENQBJUVLYHCLK-UHFFFAOYSA-N 0 0 317.772 4.025 50 0 DIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)C1CCCCC1 ZINC000002721111 180949182 /nfs/dbraw/zinc/94/91/82/180949182.db2.gz IGTYSGJYEUBMJS-UHFFFAOYSA-N 0 0 316.470 4.265 50 0 DIAARN CCCCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000002750242 180952441 /nfs/dbraw/zinc/95/24/41/180952441.db2.gz YIRSGFJYINMLRB-OAHLLOKOSA-N 0 0 309.409 4.457 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)oc1C ZINC000002764474 180953281 /nfs/dbraw/zinc/95/32/81/180953281.db2.gz ZIZSJNUQKCQIDJ-UHFFFAOYSA-N 0 0 301.386 4.455 50 0 DIAARN CC[C@H](NC(=O)c1ccc(Br)o1)c1ccc(C)cc1 ZINC000002761570 180953373 /nfs/dbraw/zinc/95/33/73/180953373.db2.gz MRVFIXRUACBUQX-LBPRGKRZSA-N 0 0 322.202 4.232 50 0 DIAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)o1 ZINC000002767294 180954023 /nfs/dbraw/zinc/95/40/23/180954023.db2.gz UCRKWVCLALSIJR-UHFFFAOYSA-N 0 0 320.320 4.242 50 0 DIAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000002820262 180960860 /nfs/dbraw/zinc/96/08/60/180960860.db2.gz FVGXPJXLXGLUSP-UHFFFAOYSA-N 0 0 318.398 4.187 50 0 DIAARN Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c(C)c1 ZINC000002826934 180961761 /nfs/dbraw/zinc/96/17/61/180961761.db2.gz GEEQNBCSUZRNIQ-UHFFFAOYSA-N 0 0 310.397 4.150 50 0 DIAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccco1 ZINC000002921340 180969851 /nfs/dbraw/zinc/96/98/51/180969851.db2.gz JXIMFKBERMXMIK-UHFFFAOYSA-N 0 0 305.377 4.118 50 0 DIAARN Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000002939737 180971366 /nfs/dbraw/zinc/97/13/66/180971366.db2.gz PEGVIGKPFNQINP-UHFFFAOYSA-N 0 0 319.238 4.128 50 0 DIAARN O=C(COc1ccc2ccccc2c1)NC1CCCCCCC1 ZINC000002954526 180971811 /nfs/dbraw/zinc/97/18/11/180971811.db2.gz FADWLCMDZDCQBY-UHFFFAOYSA-N 0 0 311.425 4.448 50 0 DIAARN COc1cc(C=O)ccc1OCCCOc1ccccc1Cl ZINC000002984796 180974083 /nfs/dbraw/zinc/97/40/83/180974083.db2.gz RCDYSVLZODYURA-UHFFFAOYSA-N 0 0 320.772 4.009 50 0 DIAARN 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306.365 4.391 50 0 DIAARN COc1ccc(C(=O)Nc2ccc3c(c2)N[C@@H]2CCCC[C@@H]32)cc1 ZINC000004053781 181067334 /nfs/dbraw/zinc/06/73/34/181067334.db2.gz LBDJUXTWZRBICZ-FUHWJXTLSA-N 0 0 322.408 4.399 50 0 DIAARN COc1cccc(C(=O)Nc2cccc3c2ccc2cccn23)c1 ZINC000004052190 181067449 /nfs/dbraw/zinc/06/74/49/181067449.db2.gz MWUSGFOPNMJXFH-UHFFFAOYSA-N 0 0 316.360 4.353 50 0 DIAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccnc(N)n1 ZINC000004060709 181068281 /nfs/dbraw/zinc/06/82/81/181068281.db2.gz BVYRKAQWNQTLLA-LBPRGKRZSA-N 0 0 309.344 4.005 50 0 DIAARN CCC(CC)C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004072375 181069602 /nfs/dbraw/zinc/06/96/02/181069602.db2.gz UWPLZFBYFQTFEF-UHFFFAOYSA-N 0 0 309.822 4.233 50 0 DIAARN C[C@]12CCC[C@](C)(CO)[C@H]1CC[C@@H](CO)[C@@H]2CCc1ccoc1 ZINC000004073757 181069732 /nfs/dbraw/zinc/06/97/32/181069732.db2.gz XAXWAJGTWLGWSN-CENDIDJXSA-N 0 0 320.473 4.036 50 0 biogenic DIAARN CCC(CC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000004072376 181069913 /nfs/dbraw/zinc/06/99/13/181069913.db2.gz 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/nfs/dbraw/zinc/12/20/45/181122045.db2.gz MKPWDJNDITXSHP-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN COc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1Cl ZINC000004542188 181122272 /nfs/dbraw/zinc/12/22/72/181122272.db2.gz XYQOYFUESSIXET-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN Cc1ccccc1NC(=O)CCc1ccccc1Br ZINC000004542937 181122293 /nfs/dbraw/zinc/12/22/93/181122293.db2.gz ZYGNMBQRVTUBSE-UHFFFAOYSA-N 0 0 318.214 4.329 50 0 DIAARN Cc1ccccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000004542109 181122360 /nfs/dbraw/zinc/12/23/60/181122360.db2.gz ZCYSRYVVEKJQRC-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(Nc1cccc2ccccc21)N1CCc2ccccc2C1 ZINC000004543100 181122387 /nfs/dbraw/zinc/12/23/87/181122387.db2.gz WUGGUAGEWUFWDV-UHFFFAOYSA-N 0 0 302.377 4.430 50 0 DIAARN O=C(/C=C/c1cccc(F)c1)Nc1cccc(Br)c1 ZINC000004542915 181122473 /nfs/dbraw/zinc/12/24/73/181122473.db2.gz ZHPKXUSISWSMID-BQYQJAHWSA-N 0 0 320.161 4.240 50 0 DIAARN O=C(CCc1ccccc1Br)Nc1ccccc1 ZINC000004542947 181122502 /nfs/dbraw/zinc/12/25/02/181122502.db2.gz 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O=C(Cc1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000004659305 181133617 /nfs/dbraw/zinc/13/36/17/181133617.db2.gz SIYCWOCVXGDEHL-UHFFFAOYSA-N 0 0 315.372 4.099 50 0 DIAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000004660753 181133725 /nfs/dbraw/zinc/13/37/25/181133725.db2.gz SKXMTVZOFRJIFN-CQSZACIVSA-N 0 0 303.427 4.309 50 0 DIAARN Cc1ccc(-c2nnc3sc(-c4ccc(C)c(C)c4)nn32)cc1 ZINC000004664981 181134026 /nfs/dbraw/zinc/13/40/26/181134026.db2.gz LVMVUTAVEBKOCP-UHFFFAOYSA-N 0 0 320.421 4.445 50 0 DIAARN O=[S@@]1OC(c2ccccc2)(c2ccccc2)c2ccccc21 ZINC000004668723 181134077 /nfs/dbraw/zinc/13/40/77/181134077.db2.gz LWRPDCKRHOITMI-QFIPXVFZSA-N 0 0 306.386 4.031 50 0 DIAARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccccc1 ZINC000004616428 181130076 /nfs/dbraw/zinc/13/00/76/181130076.db2.gz VYMQQCVHZWUDCW-RQZCQDPDSA-N 0 0 307.393 4.199 50 0 DIAARN CC(=C\c1ccccc1)/C=C1\N=C(c2cccc(C)c2)OC1=O ZINC000004644516 181131295 /nfs/dbraw/zinc/13/12/95/181131295.db2.gz FPBUCKHVHSWCNT-UDUFOJABSA-N 0 0 303.361 4.286 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CC[C@@](C)(CCNC(=O)C1CCCCC1)c1ccccc1OC ZINC000005305871 181228480 /nfs/dbraw/zinc/22/84/80/181228480.db2.gz LSSZGJATAMKLDX-FQEVSTJZSA-N 0 0 317.473 4.450 50 0 DIAARN Cc1oc2ncnc(Nc3ccc(Br)cc3)c2c1C ZINC000005352242 181233779 /nfs/dbraw/zinc/23/37/79/181233779.db2.gz QKOIQYULUKDHTQ-UHFFFAOYSA-N 0 0 318.174 4.346 50 0 DIAARN O=C(N[C@H]1CCSc2ccccc21)c1cccc(Cl)c1 ZINC000005425462 181242142 /nfs/dbraw/zinc/24/21/42/181242142.db2.gz JJYFVIMWGIXBOR-AWEZNQCLSA-N 0 0 303.814 4.307 50 0 DIAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CCC1 ZINC000005422652 181242344 /nfs/dbraw/zinc/24/23/44/181242344.db2.gz PCIAQQFJEITSHM-UHFFFAOYSA-N 0 0 322.795 4.401 50 0 DIAARN Clc1ccccc1CSc1ccc(-c2ccncc2)nn1 ZINC000005442366 181243652 /nfs/dbraw/zinc/24/36/52/181243652.db2.gz ZJGILMKQMQQOCV-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000005484114 181248522 /nfs/dbraw/zinc/24/85/22/181248522.db2.gz OSFAIVUDTXKDAU-UHFFFAOYSA-N 0 0 307.397 4.147 50 0 DIAARN Cc1nc2ccc(C(=O)O[C@H](C)c3ccc(F)cc3)cc2nc1C ZINC000005518804 181252680 /nfs/dbraw/zinc/25/26/80/181252680.db2.gz JRNHXYSGWNIHNZ-CYBMUJFWSA-N 0 0 324.355 4.304 50 0 DIAARN CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1 ZINC000005545819 181255348 /nfs/dbraw/zinc/25/53/48/181255348.db2.gz XRFDSEVICVDMDY-OAHLLOKOSA-N 0 0 321.424 4.062 50 0 DIAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000005548235 181256231 /nfs/dbraw/zinc/25/62/31/181256231.db2.gz FAZRBVDIHGORCI-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CCC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000005556303 181256755 /nfs/dbraw/zinc/25/67/55/181256755.db2.gz GGOQIDYQXGWUJT-SFHVURJKSA-N 0 0 310.397 4.167 50 0 DIAARN Cc1ccc2c(CC(=O)NC34CC5CC(CC(C5)C3)C4)coc2c1 ZINC000005557230 181256918 /nfs/dbraw/zinc/25/69/18/181256918.db2.gz MAOYVZDOMVYIIN-UHFFFAOYSA-N 0 0 323.436 4.369 50 0 DIAARN Cc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1 ZINC000005578302 181259990 /nfs/dbraw/zinc/25/99/90/181259990.db2.gz ISHRSVOKSFTJGB-UHFFFAOYSA-N 0 0 304.321 4.135 50 0 DIAARN CCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C ZINC000005628593 181265551 /nfs/dbraw/zinc/26/55/51/181265551.db2.gz CNAPVHKFGAGJRK-UHFFFAOYSA-N 0 0 314.410 4.241 50 0 DIAARN Cc1cc(F)ccc1NC(=O)c1cccc(Br)c1 ZINC000005617668 181264666 /nfs/dbraw/zinc/26/46/66/181264666.db2.gz KKFKJLHAHHHAOZ-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1Cl ZINC000005637047 181266542 /nfs/dbraw/zinc/26/65/42/181266542.db2.gz PHCAGDHGOPKXPE-INIZCTEOSA-N 0 0 303.789 4.445 50 0 DIAARN CCc1cccc2c(C(=O)COc3ccc(C(C)=O)cc3)c[nH]c21 ZINC000005654267 181267825 /nfs/dbraw/zinc/26/78/25/181267825.db2.gz UOOPIKZESCLMEH-UHFFFAOYSA-N 0 0 321.376 4.195 50 0 DIAARN CC(C)CCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000005632823 181265902 /nfs/dbraw/zinc/26/59/02/181265902.db2.gz MZYRTAZRUYYRGS-UHFFFAOYSA-N 0 0 318.244 4.315 50 0 DIAARN Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccccc1F ZINC000005630611 181266050 /nfs/dbraw/zinc/26/60/50/181266050.db2.gz MZWIFSSGUSFRCT-UHFFFAOYSA-N 0 0 317.747 4.464 50 0 DIAARN Cc1ccc(C2N=NC(=S)N2c2ccccc2)cc1Cl ZINC000005687783 181272962 /nfs/dbraw/zinc/27/29/62/181272962.db2.gz VJKGFMLZJCDCQC-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN Cc1ccc(C2N=NC(=S)N2c2ccccc2)c(Cl)c1 ZINC000005687728 181273202 /nfs/dbraw/zinc/27/32/02/181273202.db2.gz IQRNQKGUGZTTPR-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN O=c1c2ccccc2[nH]c(=S)n1-c1ccccc1C(F)(F)F ZINC000005694703 181273352 /nfs/dbraw/zinc/27/33/52/181273352.db2.gz FHOMVDFAYKUETA-UHFFFAOYSA-N 0 0 322.311 4.067 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1F ZINC000005702068 181274058 /nfs/dbraw/zinc/27/40/58/181274058.db2.gz KZNDOWXMUQDMLS-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1 ZINC000005698216 181274172 /nfs/dbraw/zinc/27/41/72/181274172.db2.gz CWFDJTFNGFPZFJ-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CC(=C\c1ccccc1)/C=C1/N=C(c2ccccc2C)OC1=O ZINC000005730787 181277732 /nfs/dbraw/zinc/27/77/32/181277732.db2.gz RJICTKFKKNJDGF-FBRLRESOSA-N 0 0 303.361 4.286 50 0 DIAARN Cc1ccc(-n2cc3c(n2)c(C)nnc3-c2cccs2)cc1 ZINC000005795061 181284748 /nfs/dbraw/zinc/28/47/48/181284748.db2.gz UHHSFFTYHWLKMN-UHFFFAOYSA-N 0 0 306.394 4.161 50 0 DIAARN O=C(N/C=C/c1ccccc1Cl)NCc1ccc(Cl)cc1 ZINC000005764069 181281641 /nfs/dbraw/zinc/28/16/41/181281641.db2.gz MEXNBNHGPGJNGI-MDZDMXLPSA-N 0 0 321.207 4.464 50 0 DIAARN O=C(NC1CC1)c1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000005775651 181282859 /nfs/dbraw/zinc/28/28/59/181282859.db2.gz XXLAXOKOIFGDLS-UHFFFAOYSA-N 0 0 322.795 4.447 50 0 DIAARN COc1ccccc1[C@@H](C)NC(=O)c1ccccc1C(F)(F)F ZINC000005825606 181286726 /nfs/dbraw/zinc/28/67/26/181286726.db2.gz YZXHZXFUHOUOCU-LLVKDONJSA-N 0 0 323.314 4.205 50 0 DIAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2C)cc1 ZINC000085430367 192504512 /nfs/dbraw/zinc/50/45/12/192504512.db2.gz UOGPNTAKUVRBHS-KRWDZBQOSA-N 0 0 304.393 4.437 50 0 DIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000005910205 181295020 /nfs/dbraw/zinc/29/50/20/181295020.db2.gz SPYRHCLAUAASCR-UHFFFAOYSA-N 0 0 302.333 4.170 50 0 biogenic DIAARN Cc1nc2ccc(NCc3cnc(-c4ccccn4)s3)cc2o1 ZINC000089729882 192851971 /nfs/dbraw/zinc/85/19/71/192851971.db2.gz MGDSBBDZVVUPDM-UHFFFAOYSA-N 0 0 322.393 4.267 50 0 DIAARN Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CCC1CCCC1 ZINC000089761505 192860805 /nfs/dbraw/zinc/86/08/05/192860805.db2.gz VQSTVMIZVNYJFG-UHFFFAOYSA-N 0 0 315.392 4.135 50 0 DIAARN O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCCC1 ZINC000089768275 192861924 /nfs/dbraw/zinc/86/19/24/192861924.db2.gz NCLYCCUTRBSDDQ-UHFFFAOYSA-N 0 0 316.788 4.153 50 0 DIAARN Cc1nc(CC(C)C)oc1C(=O)N1CCCCC[C@@H]1C(C)C ZINC000239869308 202455798 /nfs/dbraw/zinc/45/57/98/202455798.db2.gz CYBNATSYQBPOTE-OAHLLOKOSA-N 0 0 306.450 4.222 50 0 DIAARN Cc1ccc(NC(=O)CNc2cccc(Cl)c2)c(Cl)c1 ZINC000005958470 181300994 /nfs/dbraw/zinc/30/09/94/181300994.db2.gz WDXJMPIDVXCPGK-UHFFFAOYSA-N 0 0 309.196 4.352 50 0 DIAARN Cn1c(CSCc2ccc(Cl)cc2Cl)n[nH]c1=S ZINC000005982170 181303753 /nfs/dbraw/zinc/30/37/53/181303753.db2.gz APMNRZRWENMVGJ-UHFFFAOYSA-N 0 0 320.270 4.218 50 0 DIAARN Clc1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000005999672 181304734 /nfs/dbraw/zinc/30/47/34/181304734.db2.gz UOXVSWDBAJCQEE-UHFFFAOYSA-N 0 0 301.802 4.417 50 0 DIAARN COc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1ccccc1O2 ZINC000006009594 181305399 /nfs/dbraw/zinc/30/53/99/181305399.db2.gz PXZUZVCSVGVCPZ-UHFFFAOYSA-N 0 0 322.389 4.137 50 0 DIAARN O=C(/C=C/c1ccccc1)OCc1ncc(-c2ccccc2)o1 ZINC000006033634 181307028 /nfs/dbraw/zinc/30/70/28/181307028.db2.gz NNFYZNVCBUJBQA-VAWYXSNFSA-N 0 0 305.333 4.098 50 0 DIAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 ZINC000006039245 181307479 /nfs/dbraw/zinc/30/74/79/181307479.db2.gz LEMRGMLGHWWOAA-LLVKDONJSA-N 0 0 323.458 4.178 50 0 DIAARN O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1 ZINC000006083214 181311599 /nfs/dbraw/zinc/31/15/99/181311599.db2.gz GUXPZULJOHGJKF-UHFFFAOYSA-N 0 0 319.326 4.053 50 0 DIAARN CC(C)c1nc(C[S@](=O)[C@H](C)c2ccccc2F)cs1 ZINC000089893568 192897068 /nfs/dbraw/zinc/89/70/68/192897068.db2.gz JJYVPUISXUGVDJ-BIBXISHDSA-N 0 0 311.447 4.416 50 0 DIAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2C)C1 ZINC000006119495 181314052 /nfs/dbraw/zinc/31/40/52/181314052.db2.gz AWICUDSXCOOUGA-GFCCVEGCSA-N 0 0 314.454 4.406 50 0 DIAARN CSc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000006127435 181315006 /nfs/dbraw/zinc/31/50/06/181315006.db2.gz BCGXZMDLZVLTMZ-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN Cc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)s1 ZINC000006210694 181319768 /nfs/dbraw/zinc/31/97/68/181319768.db2.gz AOCKUDBGSSKMAW-WQLSENKSSA-N 0 0 302.786 4.030 50 0 DIAARN COC(=O)c1ccc(C)c(NC(=O)c2oc3ccccc3c2C)c1 ZINC000006235649 181322059 /nfs/dbraw/zinc/32/20/59/181322059.db2.gz ROHDPJUHEZLZNN-UHFFFAOYSA-N 0 0 323.348 4.089 50 0 DIAARN Cc1cc(NC(=O)/C=C/c2ccco2)c(C)cc1Br ZINC000006255260 181323488 /nfs/dbraw/zinc/32/34/88/181323488.db2.gz LMBCZXXDAHXLFH-AATRIKPKSA-N 0 0 320.186 4.311 50 0 DIAARN COc1cc(C)c(NC(=O)C[C@@H](C)c2ccccc2)cc1OC ZINC000006258869 181323636 /nfs/dbraw/zinc/32/36/36/181323636.db2.gz ZHTQMCLHMDOKJC-CYBMUJFWSA-N 0 0 313.397 4.145 50 0 DIAARN Cc1ccc2[nH]c(SCC(=O)c3cc(F)ccc3F)nc2c1 ZINC000006292140 181327308 /nfs/dbraw/zinc/32/73/08/181327308.db2.gz CORZNEPQHLDSGY-UHFFFAOYSA-N 0 0 318.348 4.125 50 0 DIAARN Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2ccccc2Cl)no1 ZINC000193722280 201111519 /nfs/dbraw/zinc/11/15/19/201111519.db2.gz RKKWUCKXVSWABJ-SECBINFHSA-N 0 0 316.792 4.076 50 0 DIAARN CCOC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1 ZINC000006375250 181334837 /nfs/dbraw/zinc/33/48/37/181334837.db2.gz KBGBDVZHZRNKMX-UHFFFAOYSA-N 0 0 319.360 4.269 50 0 DIAARN CC(C)C[C@@H]1CCCCCN1C(=O)c1coc(C2CCC2)n1 ZINC000194441273 201227298 /nfs/dbraw/zinc/22/72/98/201227298.db2.gz DVETWCBWKCSBKR-HNNXBMFYSA-N 0 0 304.434 4.373 50 0 DIAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 ZINC000194977148 201319806 /nfs/dbraw/zinc/31/98/06/201319806.db2.gz XSSOOQHOULURTB-AEFFLSMTSA-N 0 0 324.424 4.350 50 0 DIAARN Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CCCCC3 ZINC000006509779 181348174 /nfs/dbraw/zinc/34/81/74/181348174.db2.gz ROQRDOXEPQTUIA-UHFFFAOYSA-N 0 0 310.422 4.160 50 0 DIAARN O=C(COc1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000006529780 181350954 /nfs/dbraw/zinc/35/09/54/181350954.db2.gz ZCKXDSSFTCSMOY-UHFFFAOYSA-N 0 0 303.361 4.430 50 0 DIAARN Cc1cc(C2N=NC(=S)N2c2cc(C)ccc2C)cs1 ZINC000006533784 181351158 /nfs/dbraw/zinc/35/11/58/181351158.db2.gz NMGABPFUTHIZLC-UHFFFAOYSA-N 0 0 301.440 4.210 50 0 DIAARN O=C(Cc1csc(-c2ccccc2)n1)NC1CCCCCC1 ZINC000006542402 181352731 /nfs/dbraw/zinc/35/27/31/181352731.db2.gz MMNVBKKHOBKQSG-UHFFFAOYSA-N 0 0 314.454 4.192 50 0 DIAARN FC(F)(F)c1ccc(Br)cc1NN1CCCCC1 ZINC000095081578 563528387 /nfs/dbraw/zinc/52/83/87/563528387.db2.gz HWCUNDVWMJPMKP-UHFFFAOYSA-N 0 0 323.156 4.281 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000006559273 181354847 /nfs/dbraw/zinc/35/48/47/181354847.db2.gz SFXIUBLQLZXSLE-IOASZLSFSA-N 0 0 321.848 4.244 50 0 DIAARN O=C(NC(=S)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000006576463 181356031 /nfs/dbraw/zinc/35/60/31/181356031.db2.gz FQQKVPPRBHWJDG-UHFFFAOYSA-N 0 0 324.380 4.106 50 0 DIAARN 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DIAARN COc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1O ZINC000015836685 182020442 /nfs/dbraw/zinc/02/04/42/182020442.db2.gz RRKSGKUTMXWMIG-MRXNPFEDSA-N 0 0 317.816 4.391 50 0 DIAARN Cc1ccc(C)c([C@H](NC(=O)c2cccs2)c2cccnc2)c1 ZINC000015839852 182021059 /nfs/dbraw/zinc/02/10/59/182021059.db2.gz QPYQSUZHAXMCIT-GOSISDBHSA-N 0 0 322.433 4.279 50 0 DIAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000015837798 182021248 /nfs/dbraw/zinc/02/12/48/182021248.db2.gz OQHSSKXKAGZCPD-OAHLLOKOSA-N 0 0 300.358 4.047 50 0 DIAARN Cc1ccc([C@H](NC(=O)c2ccccc2)c2cccnc2)cc1C ZINC000015839740 182021266 /nfs/dbraw/zinc/02/12/66/182021266.db2.gz HMYDBLVTXGSPRP-FQEVSTJZSA-N 0 0 316.404 4.218 50 0 DIAARN COc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1Cl ZINC000015840585 182021289 /nfs/dbraw/zinc/02/12/89/182021289.db2.gz AYIHNDQLAZZMHQ-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841360 182021500 /nfs/dbraw/zinc/02/15/00/182021500.db2.gz VTFFAPXUMXBFAQ-UHFFFAOYSA-N 0 0 323.377 4.307 50 0 DIAARN Cc1cccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)c1 ZINC000015841915 182021586 /nfs/dbraw/zinc/02/15/86/182021586.db2.gz ZUKGIUQQJDVQMU-UHFFFAOYSA-N 0 0 302.377 4.055 50 0 DIAARN CCCCOc1ccc(NC(=O)c2ccco2)c2cccnc12 ZINC000015841085 182021918 /nfs/dbraw/zinc/02/19/18/182021918.db2.gz SNLCHWZQUVMSOB-UHFFFAOYSA-N 0 0 310.353 4.259 50 0 DIAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCc1ccccc1 ZINC000015867431 182023339 /nfs/dbraw/zinc/02/33/39/182023339.db2.gz QHSFPDNUNGIITQ-UHFFFAOYSA-N 0 0 323.367 4.335 50 0 DIAARN Cc1oc(-c2ccccc2)nc1CNC(=O)Nc1ccc(C)cc1 ZINC000015774553 182016115 /nfs/dbraw/zinc/01/61/15/182016115.db2.gz FOTQCKKQVMTPRR-UHFFFAOYSA-N 0 0 321.380 4.280 50 0 DIAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1cccc(F)c1 ZINC000015783088 182016813 /nfs/dbraw/zinc/01/68/13/182016813.db2.gz LQKZAMBLDOHLAI-INIZCTEOSA-N 0 0 301.365 4.016 50 0 DIAARN COc1ccc(-c2ocnc2C(=O)Nc2c(C)cccc2C)cc1 ZINC000015782137 182016920 /nfs/dbraw/zinc/01/69/20/182016920.db2.gz RUSJOACNTXEMOT-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN Cc1ccc(C)c(NC(=O)Nc2ncc(-c3ccccc3)n2C)c1 ZINC000015786033 182017111 /nfs/dbraw/zinc/01/71/11/182017111.db2.gz QPXSDOYXTNHQSW-UHFFFAOYSA-N 0 0 320.396 4.348 50 0 DIAARN CCOC(=O)c1nc2ccccc2c(Nc2cc(C)ccc2C)n1 ZINC000015784076 182017411 /nfs/dbraw/zinc/01/74/11/182017411.db2.gz AIGOCXLWOATMCL-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN Cc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C ZINC000016019817 182029338 /nfs/dbraw/zinc/02/93/38/182029338.db2.gz QPZKSUDEKNMDOB-UHFFFAOYSA-N 0 0 319.364 4.107 50 0 DIAARN COc1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 ZINC000016029624 182029703 /nfs/dbraw/zinc/02/97/03/182029703.db2.gz ZGBMFJXLOLLXCW-UHFFFAOYSA-N 0 0 309.365 4.239 50 0 DIAARN CCc1nnc(NC(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000015963199 182026534 /nfs/dbraw/zinc/02/65/34/182026534.db2.gz VKHZGUVGUIUQPQ-UHFFFAOYSA-N 0 0 321.789 4.061 50 0 DIAARN CCOC(=O)C(C)=CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016184119 182036134 /nfs/dbraw/zinc/03/61/34/182036134.db2.gz XVEHZBHRQLBNNK-FPLPWBNLSA-N 0 0 307.699 4.238 50 0 DIAARN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)cc1 ZINC000016343354 182042334 /nfs/dbraw/zinc/04/23/34/182042334.db2.gz PGFIREFXQOSLNA-GFCCVEGCSA-N 0 0 322.861 4.169 50 0 DIAARN O=C(Nc1cccc(Br)c1)Nc1ccccc1F ZINC000016450388 182045358 /nfs/dbraw/zinc/04/53/58/182045358.db2.gz CWOSVCGBDZHFCF-UHFFFAOYSA-N 0 0 309.138 4.232 50 0 DIAARN Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000016470066 182045887 /nfs/dbraw/zinc/04/58/87/182045887.db2.gz CHZLVYULNGZSPO-UHFFFAOYSA-N 0 0 311.278 4.334 50 0 DIAARN COc1ccccc1-c1nc(CN2CCc3ccccc32)cs1 ZINC000016480214 182046767 /nfs/dbraw/zinc/04/67/67/182046767.db2.gz HUITZEFVQUZREB-UHFFFAOYSA-N 0 0 322.433 4.381 50 0 DIAARN CN(C)c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000016597003 182051232 /nfs/dbraw/zinc/05/12/32/182051232.db2.gz DOEMMQYIYPLNSX-UHFFFAOYSA-N 0 0 321.424 4.195 50 0 DIAARN Cc1cnc(NC(=O)C(C)(C)Oc2ccccc2C(C)C)s1 ZINC000016604585 182052129 /nfs/dbraw/zinc/05/21/29/182052129.db2.gz ORDYNMRRZGNMEF-UHFFFAOYSA-N 0 0 318.442 4.371 50 0 DIAARN CC[C@H]1CCCCN1C(=O)COc1cccc(Cl)c1Cl ZINC000016604290 182052363 /nfs/dbraw/zinc/05/23/63/182052363.db2.gz RAXUPNDSJSLNEA-NSHDSACASA-N 0 0 316.228 4.163 50 0 DIAARN Cc1cc(C(=O)Nc2nccs2)sc1-c1ccccc1 ZINC000016603248 182052699 /nfs/dbraw/zinc/05/26/99/182052699.db2.gz ZUHUORDZRRLZMH-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN C[C@@H]1CCc2sc(C(=O)Nc3ccc(Cl)cn3)cc2C1 ZINC000016605119 182053471 /nfs/dbraw/zinc/05/34/71/182053471.db2.gz AWYWTYKJKOBJGT-SECBINFHSA-N 0 0 306.818 4.174 50 0 DIAARN O=C(CCc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000016724358 182058987 /nfs/dbraw/zinc/05/89/87/182058987.db2.gz LCBPWGACFJFCHE-UHFFFAOYSA-N 0 0 309.287 4.157 50 0 DIAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1C1CC1 ZINC000017052364 182070970 /nfs/dbraw/zinc/07/09/70/182070970.db2.gz HJEHWEVMWIMLQD-UHFFFAOYSA-N 0 0 313.348 4.004 50 0 DIAARN COc1ccc(CCNC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000017054815 182072989 /nfs/dbraw/zinc/07/29/89/182072989.db2.gz FJBTWDBMBBBYML-UHFFFAOYSA-N 0 0 318.804 4.021 50 0 DIAARN CCCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 ZINC000017066473 182074163 /nfs/dbraw/zinc/07/41/63/182074163.db2.gz RPTICGBKPLXWPB-UHFFFAOYSA-N 0 0 324.424 4.088 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)CCc1ccccc1 ZINC000017116228 182075660 /nfs/dbraw/zinc/07/56/60/182075660.db2.gz KMUMDRQKPGGAGT-IAGOWNOFSA-N 0 0 310.441 4.377 50 0 DIAARN O=c1nc(S[C@@H]2C=CCCC2)[nH]c2sc3c(c21)CCCC3 ZINC000017113247 182075954 /nfs/dbraw/zinc/07/59/54/182075954.db2.gz AZVKLTCTXWUUHB-SNVBAGLBSA-N 0 0 318.467 4.064 50 0 DIAARN Cn1c(SCc2ccccc2)nnc1-c1c[nH]c2ccccc12 ZINC000017949163 182088470 /nfs/dbraw/zinc/08/84/70/182088470.db2.gz WXVIIRPVCSPCFQ-UHFFFAOYSA-N 0 0 320.421 4.256 50 0 DIAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 ZINC000018245071 182100637 /nfs/dbraw/zinc/10/06/37/182100637.db2.gz MTXFRKJRYHQEHH-HOTGVXAUSA-N 0 0 317.344 4.042 50 0 DIAARN COc1ccc(CC(=O)N(C)Cc2ccc3ccccc3c2)cc1 ZINC000018825776 182102745 /nfs/dbraw/zinc/10/27/45/182102745.db2.gz LBDLZFUUVVKQSD-UHFFFAOYSA-N 0 0 319.404 4.050 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000018173603 182095738 /nfs/dbraw/zinc/09/57/38/182095738.db2.gz OTNKJSUOPMEQJL-VIFPVBQESA-N 0 0 306.715 4.146 50 0 DIAARN COc1ccccc1CN(C)C(=O)Nc1ccc(Cl)cc1 ZINC000018172872 182095934 /nfs/dbraw/zinc/09/59/34/182095934.db2.gz VXLOMNKIMJVHPP-UHFFFAOYSA-N 0 0 304.777 4.013 50 0 DIAARN O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000018177222 182096283 /nfs/dbraw/zinc/09/62/83/182096283.db2.gz SWBQBFVUPAQVCX-UHFFFAOYSA-N 0 0 313.159 4.454 50 0 DIAARN Cc1ccc(CC(=O)Nc2ccnn2C2CCCCC2)cc1F ZINC000019148848 182105941 /nfs/dbraw/zinc/10/59/41/182105941.db2.gz LKKHCCGBNMXQLA-UHFFFAOYSA-N 0 0 315.392 4.017 50 0 DIAARN Cc1noc(C)c1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000019171087 182106685 /nfs/dbraw/zinc/10/66/85/182106685.db2.gz IJEVSKQDJLJUSL-UHFFFAOYSA-N 0 0 322.364 4.265 50 0 DIAARN CNc1ccc2cccc(Oc3ccc4cccc(O)c4n3)c2n1 ZINC000019335085 182117163 /nfs/dbraw/zinc/11/71/63/182117163.db2.gz DFLMMOATSAMMKP-UHFFFAOYSA-N 0 0 317.348 4.323 50 0 DIAARN CC(C)[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1cccs1 ZINC000019312191 182114154 /nfs/dbraw/zinc/11/41/54/182114154.db2.gz IVTQFPYNNDIORY-JQWIXIFHSA-N 0 0 306.258 4.145 50 0 DIAARN CCOc1ccccc1Nc1cc(C)[nH+]c2ccc(C(=O)[O-])cc12 ZINC000019691610 182137711 /nfs/dbraw/zinc/13/77/11/182137711.db2.gz LAZYQNORLCNFDZ-UHFFFAOYSA-N 0 0 322.364 4.384 50 0 DIAARN c1cn(C[C@H]2CCCCO2)nc1-c1cccc(-c2cccnc2)c1 ZINC000019635461 182134010 /nfs/dbraw/zinc/13/40/10/182134010.db2.gz ODSUQGIAHIXRDI-LJQANCHMSA-N 0 0 319.408 4.181 50 0 DIAARN c1cn(C[C@@H]2CCCCO2)nc1-c1cccc(-c2cccnc2)c1 ZINC000019635458 182134339 /nfs/dbraw/zinc/13/43/39/182134339.db2.gz ODSUQGIAHIXRDI-IBGZPJMESA-N 0 0 319.408 4.181 50 0 DIAARN Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000019736124 182140289 /nfs/dbraw/zinc/14/02/89/182140289.db2.gz WBRYDQGMUSPGLF-AWEZNQCLSA-N 0 0 312.413 4.107 50 0 DIAARN Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000019736415 182140518 /nfs/dbraw/zinc/14/05/18/182140518.db2.gz XGPKDMSGULLLOF-AWEZNQCLSA-N 0 0 312.413 4.107 50 0 DIAARN Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000019736674 182140562 /nfs/dbraw/zinc/14/05/62/182140562.db2.gz CHPKDWAXNVYYGN-UHFFFAOYSA-N 0 0 315.587 4.481 50 0 DIAARN CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F ZINC000019736625 182140780 /nfs/dbraw/zinc/14/07/80/182140780.db2.gz BWZBSSDGGQGTOK-UHFFFAOYSA-N 0 0 316.376 4.229 50 0 DIAARN CCCCOc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000019736528 182140866 /nfs/dbraw/zinc/14/08/66/182140866.db2.gz CGPOZUIQMCXMFQ-UHFFFAOYSA-N 0 0 318.804 4.353 50 0 DIAARN c1ccc(C2=N[C@@H](c3ccccc3)N3C[C@]23c2ccccc2)cc1 ZINC000019801320 182151747 /nfs/dbraw/zinc/15/17/47/182151747.db2.gz WBGPXLGRLVZYHL-BVQDOMOSSA-N 0 0 310.400 4.399 50 0 DIAARN Cc1cc2c(c(C)c1Cl)CN(Cc1ccc(F)cc1)CO2 ZINC000019822999 182154176 /nfs/dbraw/zinc/15/41/76/182154176.db2.gz JNGGNXNERDFEQR-UHFFFAOYSA-N 0 0 305.780 4.448 50 0 DIAARN COc1ccc(NCc2ccccc2Br)cc1OC ZINC000019908892 182163107 /nfs/dbraw/zinc/16/31/07/182163107.db2.gz RERGFYGQWXHNLB-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN CC(=O)Nc1ccc(CNc2ccc(Br)cc2)cc1 ZINC000019922994 182164410 /nfs/dbraw/zinc/16/44/10/182164410.db2.gz JTPODRSSXKIBMK-UHFFFAOYSA-N 0 0 319.202 4.020 50 0 DIAARN CCc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000019926889 182165184 /nfs/dbraw/zinc/16/51/84/182165184.db2.gz QVTUCTPSEXSQJF-KRWDZBQOSA-N 0 0 301.386 4.167 50 0 DIAARN CC[C@H](C)NC(=O)CCc1sc(C)nc1-c1cccs1 ZINC000019933147 182167291 /nfs/dbraw/zinc/16/72/91/182167291.db2.gz VNLFTTFCKZQCSC-JTQLQIEISA-N 0 0 308.472 4.027 50 0 DIAARN CSc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1 ZINC000020029748 182181257 /nfs/dbraw/zinc/18/12/57/182181257.db2.gz CQIWQRGCQUUDQF-SNVBAGLBSA-N 0 0 307.365 4.178 50 0 DIAARN CSc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1 ZINC000020029733 182181284 /nfs/dbraw/zinc/18/12/84/182181284.db2.gz MCOZWMAMEUCXRB-JTQLQIEISA-N 0 0 307.365 4.178 50 0 DIAARN O=C(CCC1CCCCC1)NCC[C@H]1CNc2ccccc21 ZINC000020028034 182181618 /nfs/dbraw/zinc/18/16/18/182181618.db2.gz PSFMSHZHKUVMCI-INIZCTEOSA-N 0 0 300.446 4.063 50 0 DIAARN O=C1C[C@H](c2ccccc2)Cc2nc(Nc3ccccc3)ncc21 ZINC000020101845 182186696 /nfs/dbraw/zinc/18/66/96/182186696.db2.gz JBICVQRAHFVJBS-OAHLLOKOSA-N 0 0 315.376 4.133 50 0 DIAARN O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccs1 ZINC000020100700 182187207 /nfs/dbraw/zinc/18/72/07/182187207.db2.gz MUMPAKDGSXUXAQ-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN CCCc1ccc(C(=O)N2CC[C@H]2c2cccc(OC)c2)cc1 ZINC000020119451 182188981 /nfs/dbraw/zinc/18/89/81/182188981.db2.gz XGTHCPGMPAEXLN-IBGZPJMESA-N 0 0 309.409 4.235 50 0 DIAARN FC(F)(F)c1cccc(CSc2nc3cc[nH]cc-3n2)c1 ZINC000020388895 182213826 /nfs/dbraw/zinc/21/38/26/182213826.db2.gz LLUPEQOXTQDGRY-UHFFFAOYSA-N 0 0 309.316 4.269 50 0 DIAARN CCOc1cc(CNc2ccccc2)c(Br)cc1O ZINC000020328989 182208501 /nfs/dbraw/zinc/20/85/01/182208501.db2.gz ULMUDVBBXHXZPJ-UHFFFAOYSA-N 0 0 322.202 4.166 50 0 DIAARN Cc1ccc(C)c(CC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000020481171 182222477 /nfs/dbraw/zinc/22/24/77/182222477.db2.gz QPXZKATYPXWGMH-UHFFFAOYSA-N 0 0 322.235 4.469 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(F)cc2Br)c1 ZINC000020430056 182216331 /nfs/dbraw/zinc/21/63/31/182216331.db2.gz KIAODVAWKRUCQF-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN CC(C)C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)[P@@H](=O)[O-] ZINC000020444704 182217821 /nfs/dbraw/zinc/21/78/21/182217821.db2.gz BIFANXYIKWJSQZ-QGZVFWFLSA-N 0 0 317.369 4.205 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020551161 182230143 /nfs/dbraw/zinc/23/01/43/182230143.db2.gz KNCMMYQZDLBEBR-SNVBAGLBSA-N 0 0 322.767 4.370 50 0 DIAARN CCn1ncc2c1nc(-c1ccc(OC)cc1)cc2C(F)(F)F ZINC000020615832 182239594 /nfs/dbraw/zinc/23/95/94/182239594.db2.gz DLENEKVOMVJVIP-UHFFFAOYSA-N 0 0 321.302 4.146 50 0 DIAARN CN(Cc1ccccc1)c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000020720569 182243489 /nfs/dbraw/zinc/24/34/89/182243489.db2.gz YUXRRNBPNYBBBW-UHFFFAOYSA-N 0 0 309.800 4.433 50 0 DIAARN O=C(Nc1cc(F)ccc1F)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575502 182235111 /nfs/dbraw/zinc/23/51/11/182235111.db2.gz NBVPNYSFZINEAL-UHFFFAOYSA-N 0 0 323.302 4.247 50 0 DIAARN CC(C)CCC(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000020601860 182236701 /nfs/dbraw/zinc/23/67/01/182236701.db2.gz ZESDDMBUYIQFJB-KRWDZBQOSA-N 0 0 303.446 4.142 50 0 DIAARN Fc1ccc(-n2ncc3c2nc(C2CC2)cc3C(F)F)cc1 ZINC000020602772 182237264 /nfs/dbraw/zinc/23/72/64/182237264.db2.gz NUFOPKYQSULFMR-UHFFFAOYSA-N 0 0 303.287 4.375 50 0 DIAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C ZINC000020900397 182252592 /nfs/dbraw/zinc/25/25/92/182252592.db2.gz YVPJZGCUZDNRCE-KRWDZBQOSA-N 0 0 311.429 4.494 50 0 DIAARN CCCn1ccc(-c2cccc(-c3ccc(C(C)=O)cn3)c2)n1 ZINC000020919859 182253285 /nfs/dbraw/zinc/25/32/85/182253285.db2.gz WOJWEZHBFWPITL-UHFFFAOYSA-N 0 0 305.381 4.225 50 0 DIAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1cccc(C)c1 ZINC000020890941 182252238 /nfs/dbraw/zinc/25/22/38/182252238.db2.gz DSJMXYDRQUQXLN-UHFFFAOYSA-N 0 0 305.809 4.062 50 0 DIAARN CCCCNc1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000020898167 182252349 /nfs/dbraw/zinc/25/23/49/182252349.db2.gz VTUXEDUVMYBYNV-UHFFFAOYSA-N 0 0 308.385 4.319 50 0 DIAARN Cc1cccc(-c2ocnc2C(=O)NC2CCCCCCC2)c1 ZINC000021044615 182263243 /nfs/dbraw/zinc/26/32/43/182263243.db2.gz QSOMRRHTFYTXGO-UHFFFAOYSA-N 0 0 312.413 4.493 50 0 DIAARN O=c1cc(CSCc2ccco2)[nH]c2ccc(Cl)cc12 ZINC000021099074 182265235 /nfs/dbraw/zinc/26/52/35/182265235.db2.gz LFIJEEJSTACQKV-UHFFFAOYSA-N 0 0 305.786 4.208 50 0 DIAARN Cc1scc(CCNC(=O)Nc2ccc(C)cc2C)c1C ZINC000021088287 182264793 /nfs/dbraw/zinc/26/47/93/182264793.db2.gz XAYNZEOAKSJERT-UHFFFAOYSA-N 0 0 302.443 4.346 50 0 DIAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NC2CCCCCC2)cc1C ZINC000020939771 182256292 /nfs/dbraw/zinc/25/62/92/182256292.db2.gz XKIOXUSTZINEDK-UHFFFAOYSA-N 0 0 311.425 4.010 50 0 DIAARN Cc1ccccc1NC(=O)C[C@@H](c1cccs1)n1cccc1 ZINC000020997093 182257896 /nfs/dbraw/zinc/25/78/96/182257896.db2.gz FOZPTJXOMLOGQD-INIZCTEOSA-N 0 0 310.422 4.476 50 0 DIAARN CC(C)C1=NO[C@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000020997268 182258127 /nfs/dbraw/zinc/25/81/27/182258127.db2.gz MFUAOMRVWKYFGV-INIZCTEOSA-N 0 0 307.353 4.363 50 0 DIAARN Cc1ccccc1[C@H](CC(=O)NC1CCCCC1)n1cccc1 ZINC000020998604 182258686 /nfs/dbraw/zinc/25/86/86/182258686.db2.gz AJMYZODEDAHWFL-IBGZPJMESA-N 0 0 310.441 4.225 50 0 DIAARN Cc1ccccc1[C@@H](CC(=O)N1CCCCCC1)n1cccc1 ZINC000020998638 182258851 /nfs/dbraw/zinc/25/88/51/182258851.db2.gz CTKTWGQKCMHKAK-LJQANCHMSA-N 0 0 310.441 4.179 50 0 DIAARN Cc1cccc([C@H](CC(=O)Nc2ccccc2)n2cccc2)c1 ZINC000021015992 182260584 /nfs/dbraw/zinc/26/05/84/182260584.db2.gz DLRKSPCMOREXNV-IBGZPJMESA-N 0 0 304.393 4.415 50 0 DIAARN c1cc2c(s1)CCN(Cc1csc(-c3ccccc3)n1)C2 ZINC000021418535 182273560 /nfs/dbraw/zinc/27/35/60/182273560.db2.gz IVYLLKNHODVURY-UHFFFAOYSA-N 0 0 312.463 4.430 50 0 DIAARN Cc1ccccc1NC(=O)NCCCSCc1ccco1 ZINC000021148922 182266508 /nfs/dbraw/zinc/26/65/08/182266508.db2.gz MNFMAIMMLYKUDK-UHFFFAOYSA-N 0 0 304.415 4.033 50 0 DIAARN Cc1ccc(C)c(Cn2c3c(c(=O)c4cc(C)ccc42)CCC3)c1 ZINC000021147373 182266735 /nfs/dbraw/zinc/26/67/35/182266735.db2.gz GPQIKGCVLKPYIF-UHFFFAOYSA-N 0 0 317.432 4.464 50 0 DIAARN Cc1ccccc1-c1noc2ncnc(Nc3ccccc3)c21 ZINC000021714655 182284848 /nfs/dbraw/zinc/28/48/48/182284848.db2.gz CJKFIPXENHJATP-UHFFFAOYSA-N 0 0 302.337 4.337 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)c2c(F)cccc2Cl)on1 ZINC000021719602 182285746 /nfs/dbraw/zinc/28/57/46/182285746.db2.gz IYHBFZYOPQEAAN-CYBMUJFWSA-N 0 0 322.767 4.007 50 0 DIAARN O=C(Nc1nc2ccccc2s1)Nc1cc(F)ccc1F ZINC000021525505 182278268 /nfs/dbraw/zinc/27/82/68/182278268.db2.gz XMZAUVBPXXBJRO-UHFFFAOYSA-N 0 0 305.309 4.219 50 0 DIAARN CCCCCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC ZINC000021524475 182278525 /nfs/dbraw/zinc/27/85/25/182278525.db2.gz ZXHYRGIVZJFTCP-QGZVFWFLSA-N 0 0 313.445 4.300 50 0 DIAARN CSc1ccc(CCNc2nc(-c3ccccc3)no2)cc1 ZINC000021629838 182281574 /nfs/dbraw/zinc/28/15/74/182281574.db2.gz SNVVWKAKYQZDSE-UHFFFAOYSA-N 0 0 311.410 4.113 50 0 DIAARN COc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720676 182286585 /nfs/dbraw/zinc/28/65/85/182286585.db2.gz DICNETMFCNVHMU-QGZVFWFLSA-N 0 0 300.402 4.144 50 0 DIAARN Cc1nnc2c(SCc3ccc(C)cc3)nc3ccccc3n12 ZINC000021658023 182282787 /nfs/dbraw/zinc/28/27/87/182282787.db2.gz ADMVEPMYDAETEB-UHFFFAOYSA-N 0 0 320.421 4.187 50 0 DIAARN Cc1cccc(CN2CCc3c(Br)cccc3C2)c1 ZINC000021778756 182288721 /nfs/dbraw/zinc/28/87/21/182288721.db2.gz OSMZVWGYMXYTRJ-UHFFFAOYSA-N 0 0 316.242 4.316 50 0 DIAARN Cc1cc(C)c(NC(=O)c2ccc(-n3cccn3)cc2)c(C)c1 ZINC000021796355 182289770 /nfs/dbraw/zinc/28/97/70/182289770.db2.gz YTNIOVIBRLUAGG-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)NC1CCCC1 ZINC000021890664 182296792 /nfs/dbraw/zinc/29/67/92/182296792.db2.gz OTEFWNXMQAFURN-AWEZNQCLSA-N 0 0 309.413 4.006 50 0 DIAARN Cc1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)n1 ZINC000021894242 182297045 /nfs/dbraw/zinc/29/70/45/182297045.db2.gz XIJFKYDITGHVCD-UHFFFAOYSA-N 0 0 318.804 4.150 50 0 DIAARN Cc1ccc(-c2cc3nccc(-c4ccccc4O)n3n2)cc1 ZINC000021729251 182287142 /nfs/dbraw/zinc/28/71/42/182287142.db2.gz FHWZUGYHESWZDH-UHFFFAOYSA-N 0 0 301.349 4.077 50 0 DIAARN O=P1([C@@H](Nc2ccccc2)c2ccccc2)OCCCO1 ZINC000022014802 182303355 /nfs/dbraw/zinc/30/33/55/182303355.db2.gz BMXNWGMYEHSSMW-MRXNPFEDSA-N 0 0 303.298 4.427 50 0 DIAARN COc1ccc(OC(=O)c2cc3cc(C)ccc3nc2C)cc1 ZINC000022019723 182304772 /nfs/dbraw/zinc/30/47/72/182304772.db2.gz KUHSNIQKQFJWMY-UHFFFAOYSA-N 0 0 307.349 4.079 50 0 DIAARN CCC[C@H](NC(=O)c1ccc(C(C)=O)s1)c1ccccc1 ZINC000021929066 182299164 /nfs/dbraw/zinc/29/91/64/182299164.db2.gz YWHXTNCHZDLKGC-AWEZNQCLSA-N 0 0 301.411 4.222 50 0 DIAARN CCC(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 ZINC000021944867 182299784 /nfs/dbraw/zinc/29/97/84/182299784.db2.gz MEJNEVWMMUHESK-UHFFFAOYSA-N 0 0 309.344 4.027 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)CC)C[C@@H](C)CC2 ZINC000022321413 182317621 /nfs/dbraw/zinc/31/76/21/182317621.db2.gz NFHZRRYTMKJLRA-QWRGUYRKSA-N 0 0 323.458 4.034 50 0 DIAARN C[C@H]1CCCN1C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022333034 182318729 /nfs/dbraw/zinc/31/87/29/182318729.db2.gz GURTZJSRTOOGTG-ZDUSSCGKSA-N 0 0 312.413 4.264 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C3 ZINC000022330961 182319050 /nfs/dbraw/zinc/31/90/50/182319050.db2.gz IXADFLHKMJDTGI-GDBMZVCRSA-N 0 0 322.452 4.060 50 0 DIAARN CCCOc1ccccc1NC(=O)CCC(=O)c1cccs1 ZINC000022354624 182319782 /nfs/dbraw/zinc/31/97/82/182319782.db2.gz IFOSEQYZNWVLQT-UHFFFAOYSA-N 0 0 317.410 4.139 50 0 DIAARN COc1cccc2cc(/C=C/C(=O)OC3CCCCC3)oc21 ZINC000022374609 182320278 /nfs/dbraw/zinc/32/02/78/182320278.db2.gz GBCHNBKCERJQFG-ZHACJKMWSA-N 0 0 300.354 4.331 50 0 DIAARN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccc1 ZINC000022551846 182326545 /nfs/dbraw/zinc/32/65/45/182326545.db2.gz FFYLBJYWPZLJNQ-ZDUSSCGKSA-N 0 0 321.207 4.366 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)c3ccc(C)nc3)cc2)cs1 ZINC000022471852 182323081 /nfs/dbraw/zinc/32/30/81/182323081.db2.gz LUCHSROERFCZSA-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN O=C(Nc1ccccc1SCC(F)(F)F)c1ccco1 ZINC000022502639 182323811 /nfs/dbraw/zinc/32/38/11/182323811.db2.gz VUTRGYBPYPPNOI-UHFFFAOYSA-N 0 0 301.289 4.186 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)s1 ZINC000022815371 182335799 /nfs/dbraw/zinc/33/57/99/182335799.db2.gz DUCXCSZCZMXNFA-AWEZNQCLSA-N 0 0 306.818 4.378 50 0 DIAARN O=C(Nc1ccccc1N1CCCCCC1)c1cccc(F)c1 ZINC000022829027 182335987 /nfs/dbraw/zinc/33/59/87/182335987.db2.gz QXMTYEGXUIICSL-UHFFFAOYSA-N 0 0 312.388 4.458 50 0 DIAARN Cc1ccc(-c2nc(C(=O)NC(C3CC3)C3CC3)cs2)cc1 ZINC000022885909 182339299 /nfs/dbraw/zinc/33/92/99/182339299.db2.gz XBNJLGGYGAIHNI-UHFFFAOYSA-N 0 0 312.438 4.037 50 0 DIAARN CC(C)=CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000022897556 182340077 /nfs/dbraw/zinc/34/00/77/182340077.db2.gz GLSGOYQFWOYVFQ-UHFFFAOYSA-N 0 0 312.335 4.210 50 0 DIAARN Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000023177778 182352794 /nfs/dbraw/zinc/35/27/94/182352794.db2.gz XHVNYFIINRTCEU-ZYHUDNBSSA-N 0 0 304.415 4.020 50 0 DIAARN CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000023042570 182345575 /nfs/dbraw/zinc/34/55/75/182345575.db2.gz NHTFAJSSKXSETN-HNNXBMFYSA-N 0 0 312.438 4.472 50 0 DIAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1C ZINC000023042556 182345699 /nfs/dbraw/zinc/34/56/99/182345699.db2.gz SJCAOTMDOXCQGJ-SFHVURJKSA-N 0 0 324.424 4.257 50 0 DIAARN CCN(C(=O)c1ccc(Cl)nc1)c1nc2ccccc2s1 ZINC000023042846 182345869 /nfs/dbraw/zinc/34/58/69/182345869.db2.gz NQZGCZUKTVOEEA-UHFFFAOYSA-N 0 0 317.801 4.011 50 0 DIAARN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000023076470 182346611 /nfs/dbraw/zinc/34/66/11/182346611.db2.gz GALRVEJHJFICFA-UHFFFAOYSA-N 0 0 307.752 4.275 50 0 DIAARN Cc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 ZINC000023125435 182349378 /nfs/dbraw/zinc/34/93/78/182349378.db2.gz IKAAAAVKANAZHW-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN COc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1 ZINC000023410381 182359975 /nfs/dbraw/zinc/35/99/75/182359975.db2.gz MTYLCFIRWRVDMQ-UHFFFAOYSA-N 0 0 310.353 4.098 50 0 DIAARN O=C(c1csc2c1CCCC2)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000023429263 182360639 /nfs/dbraw/zinc/36/06/39/182360639.db2.gz NRZVOZAAYNWGPL-ZIAGYGMSSA-N 0 0 303.471 4.279 50 0 DIAARN CC(=O)c1cc(CCC(=O)Nc2ccc(F)cc2Cl)oc1C ZINC000024281300 182378949 /nfs/dbraw/zinc/37/89/49/182378949.db2.gz ILABYUBPVGQRGH-UHFFFAOYSA-N 0 0 323.751 4.154 50 0 DIAARN CN(C(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 ZINC000024043778 182373798 /nfs/dbraw/zinc/37/37/98/182373798.db2.gz RTJFQVLRASIOEC-UHFFFAOYSA-N 0 0 307.349 4.135 50 0 DIAARN Cc1nc2sc3c(c2c(Oc2cccc(F)c2)n1)CCC3 ZINC000024757522 182390210 /nfs/dbraw/zinc/39/02/10/182390210.db2.gz QFULHZOILKDVOE-UHFFFAOYSA-N 0 0 300.358 4.420 50 0 DIAARN CCOc1cccc2cc([C@@H](C)NC(=O)c3ccsc3)oc21 ZINC000024834146 182392064 /nfs/dbraw/zinc/39/20/64/182392064.db2.gz UDJBLFFPAARVMW-LLVKDONJSA-N 0 0 315.394 4.384 50 0 DIAARN Cc1ccccc1NCCC(=O)Nc1ccccc1OC(F)F ZINC000024443100 182381063 /nfs/dbraw/zinc/38/10/63/182381063.db2.gz ZVLYNSRVXGVGBO-UHFFFAOYSA-N 0 0 320.339 4.037 50 0 DIAARN CCc1ccc(-c2nc(C(=O)Nc3ccccn3)cs2)cc1 ZINC000024581200 182383643 /nfs/dbraw/zinc/38/36/43/182383643.db2.gz OBQXHWDTPMNJFP-UHFFFAOYSA-N 0 0 309.394 4.020 50 0 DIAARN Cc1cc(CN2CCCC[C@H]2c2nc3ccccc3s2)no1 ZINC000024985689 182397614 /nfs/dbraw/zinc/39/76/14/182397614.db2.gz REASRLRCBQPKLS-HNNXBMFYSA-N 0 0 313.426 4.320 50 0 DIAARN C/C=C/C=C/C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000024838327 182392953 /nfs/dbraw/zinc/39/29/53/182392953.db2.gz LQPMRGSVABZSNL-CRBCFSCISA-N 0 0 310.422 4.370 50 0 DIAARN COC(=O)c1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000024839065 182393293 /nfs/dbraw/zinc/39/32/93/182393293.db2.gz XOAOJHAJYFXDLQ-UHFFFAOYSA-N 0 0 324.405 4.156 50 0 DIAARN Cc1nc(SC/C=C\CSc2nc(C)c(C)o2)oc1C ZINC000098054791 193779597 /nfs/dbraw/zinc/77/95/97/193779597.db2.gz UZAXQYPHSWDIOC-WAYWQWQTSA-N 0 0 310.444 4.337 50 0 DIAARN Cn1ccnc1SCc1coc(-c2cccc(Cl)c2)n1 ZINC000026015604 182428464 /nfs/dbraw/zinc/42/84/64/182428464.db2.gz CJQIZSWOXRWVSN-UHFFFAOYSA-N 0 0 305.790 4.021 50 0 DIAARN COc1ccccc1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000026071185 182430116 /nfs/dbraw/zinc/43/01/16/182430116.db2.gz HEKNQFAJBGLNOE-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN CC[C@H](NC(=O)c1ccccc1F)c1ccccc1OC(F)F ZINC000027358966 182469935 /nfs/dbraw/zinc/46/99/35/182469935.db2.gz STMGLWKKQNNKPU-AWEZNQCLSA-N 0 0 323.314 4.308 50 0 DIAARN Cc1ccc(CCC(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000027698734 182488389 /nfs/dbraw/zinc/48/83/89/182488389.db2.gz YKPTUWNVPSGJEO-UHFFFAOYSA-N 0 0 310.422 4.484 50 0 DIAARN CN(C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000028265873 182518250 /nfs/dbraw/zinc/51/82/50/182518250.db2.gz WNQDOVCDUMQULG-UHFFFAOYSA-N 0 0 317.392 4.026 50 0 DIAARN O=C(N1CC[C@H]2CCCC[C@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000028896433 182544512 /nfs/dbraw/zinc/54/45/12/182544512.db2.gz XRLSYGXRAVSIMK-KQCPESONSA-N 0 0 301.474 4.242 50 0 DIAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CC1 ZINC000029013021 182548826 /nfs/dbraw/zinc/54/88/26/182548826.db2.gz UOTDZLUWXGFWNS-UHFFFAOYSA-N 0 0 312.316 4.177 50 0 DIAARN Cc1cnc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)s1 ZINC000030036289 182583893 /nfs/dbraw/zinc/58/38/93/182583893.db2.gz GWDLIHIDBDTNER-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCCc2ccccc21 ZINC000029883152 182579343 /nfs/dbraw/zinc/57/93/43/182579343.db2.gz UYVQPYBPGVBWLD-MRXNPFEDSA-N 0 0 311.450 4.386 50 0 DIAARN COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000030873893 182601134 /nfs/dbraw/zinc/60/11/34/182601134.db2.gz MJUSZMQZCVZUHP-KGLIPLIRSA-N 0 0 315.438 4.053 50 0 DIAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3o2)c(C)c1 ZINC000031809237 182624016 /nfs/dbraw/zinc/62/40/16/182624016.db2.gz YUKPEWOFIWEKEX-UHFFFAOYSA-N 0 0 308.381 4.406 50 0 DIAARN O=C(CCc1ccco1)N[C@H](c1cccs1)C1CCCC1 ZINC000032397197 182641511 /nfs/dbraw/zinc/64/15/11/182641511.db2.gz YDLCAHOEAYRJAR-KRWDZBQOSA-N 0 0 303.427 4.321 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)CCC2CCCCC2)c1C ZINC000032753711 182659080 /nfs/dbraw/zinc/65/90/80/182659080.db2.gz DODAEDWVTUKSRL-UHFFFAOYSA-N 0 0 302.418 4.252 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)CCc1cc2ccccc2o1 ZINC000032823586 182668322 /nfs/dbraw/zinc/66/83/22/182668322.db2.gz ICVKRYANELXDJU-CQSZACIVSA-N 0 0 305.377 4.343 50 0 DIAARN O=C(CCc1ccccc1)NC1CCC(c2ccccc2)CC1 ZINC000032796999 182665009 /nfs/dbraw/zinc/66/50/09/182665009.db2.gz OUIUIDUXNIXGJT-UHFFFAOYSA-N 0 0 307.437 4.462 50 0 DIAARN Cc1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1C ZINC000032947837 182684510 /nfs/dbraw/zinc/68/45/10/182684510.db2.gz KYBGXZHCZXRCKA-UHFFFAOYSA-N 0 0 303.431 4.315 50 0 DIAARN CC[C@H](C)NC(=O)c1c2cc(C)ccc2nnc1-c1ccccc1 ZINC000032953307 182684698 /nfs/dbraw/zinc/68/46/98/182684698.db2.gz GOGUFXJMFFGEMO-AWEZNQCLSA-N 0 0 319.408 4.134 50 0 DIAARN Cc1ccc(Oc2ccccc2NC(=O)c2cccn2C)cc1 ZINC000032996165 182687192 /nfs/dbraw/zinc/68/71/92/182687192.db2.gz VXWGDXUTVFUNMV-UHFFFAOYSA-N 0 0 306.365 4.378 50 0 DIAARN CSc1cccc(NC(=O)c2ncoc2-c2ccc(C)o2)c1 ZINC000033049064 182690248 /nfs/dbraw/zinc/69/02/48/182690248.db2.gz NJJSARZXNRBRRA-UHFFFAOYSA-N 0 0 314.366 4.217 50 0 DIAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2cccnc2)on1 ZINC000032926043 182681184 /nfs/dbraw/zinc/68/11/84/182681184.db2.gz ZZKJRZCEJLWNDC-UHFFFAOYSA-N 0 0 321.380 4.114 50 0 DIAARN Cc1nc(C(C)C)sc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000032924129 182681259 /nfs/dbraw/zinc/68/12/59/182681259.db2.gz NRJJYSODJLUTJD-SNVBAGLBSA-N 0 0 306.406 4.205 50 0 DIAARN Cc1ccccc1CC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000032930430 182681915 /nfs/dbraw/zinc/68/19/15/182681915.db2.gz WPDQEPPNSHKGNZ-CYBMUJFWSA-N 0 0 319.351 4.016 50 0 DIAARN Cc1nc(/C=C/C(=O)N[C@H](C)c2ccc(Cl)s2)cs1 ZINC000033193068 182695709 /nfs/dbraw/zinc/69/57/09/182695709.db2.gz KCUWYBUUOCLHOD-GWSCVKMXSA-N 0 0 312.847 4.057 50 0 DIAARN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000033191576 182695735 /nfs/dbraw/zinc/69/57/35/182695735.db2.gz RMHDVJVNZPZBIO-IGLBNKAOSA-N 0 0 321.829 4.301 50 0 DIAARN O=C(Cc1ccc(F)cc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000033213835 182696886 /nfs/dbraw/zinc/69/68/86/182696886.db2.gz ZHCXPEKQIPPQER-UHFFFAOYSA-N 0 0 310.328 4.026 50 0 DIAARN Cc1cc(F)ccc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000033471190 182714289 /nfs/dbraw/zinc/71/42/89/182714289.db2.gz PUTITPIAJZIRKD-HJWRWDBZSA-N 0 0 312.369 4.396 50 0 DIAARN Fc1ccccc1OCc1noc(-c2ccccc2Cl)n1 ZINC000034906916 182742321 /nfs/dbraw/zinc/74/23/21/182742321.db2.gz DXSIAABLRKUFOZ-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000034907429 182743506 /nfs/dbraw/zinc/74/35/06/182743506.db2.gz WLKXCIFXXRYBEA-UHFFFAOYSA-N 0 0 319.408 4.422 50 0 DIAARN CCOC(=O)c1sc(NC(=O)CCC2CCCC2)cc1C ZINC000035151857 182756878 /nfs/dbraw/zinc/75/68/78/182756878.db2.gz NYUOQJOFGYWSJF-UHFFFAOYSA-N 0 0 309.431 4.142 50 0 DIAARN O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCCCC2 ZINC000035671192 182785094 /nfs/dbraw/zinc/78/50/94/182785094.db2.gz LBQGOPCFIWBCAS-UHFFFAOYSA-N 0 0 314.212 4.126 50 0 DIAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)N[C@H](C)c1ccccc1 ZINC000035672333 182785580 /nfs/dbraw/zinc/78/55/80/182785580.db2.gz RCSUNKKLLUMKKY-CQSZACIVSA-N 0 0 320.392 4.449 50 0 DIAARN Cc1ccc(-c2cncc(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000036348895 182817604 /nfs/dbraw/zinc/81/76/04/182817604.db2.gz QCVQZXJPZXVTNE-UHFFFAOYSA-N 0 0 316.404 4.329 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Oc2ccccc2Cl)cc1C ZINC000036636296 182832289 /nfs/dbraw/zinc/83/22/89/182832289.db2.gz LAARZPVTSOYODE-UHFFFAOYSA-N 0 0 310.802 4.033 50 0 DIAARN Cc1ccc2sc(NC(=O)NCc3cccs3)nc2c1C ZINC000036709358 182836199 /nfs/dbraw/zinc/83/61/99/182836199.db2.gz YJXJPABBAJRMEO-UHFFFAOYSA-N 0 0 317.439 4.296 50 0 DIAARN COc1cccc(CN(C)C(=O)/C=C/c2cc3ccccc3o2)c1 ZINC000037132866 182868678 /nfs/dbraw/zinc/86/86/78/182868678.db2.gz IUMJXPMWXSUESU-ZHACJKMWSA-N 0 0 321.376 4.113 50 0 DIAARN Cc1ccc(Cn2c(C(=O)NC(C)C)cc3sccc32)cc1 ZINC000037526519 182904452 /nfs/dbraw/zinc/90/44/52/182904452.db2.gz LCSDLOODKHDUBQ-UHFFFAOYSA-N 0 0 312.438 4.198 50 0 DIAARN O=C(Nc1cccc(F)c1)Nc1cccc(Br)c1 ZINC000038076472 182986476 /nfs/dbraw/zinc/98/64/76/182986476.db2.gz AWGCZGFBKKPXIL-UHFFFAOYSA-N 0 0 309.138 4.232 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)C1 ZINC000038567185 183002916 /nfs/dbraw/zinc/00/29/16/183002916.db2.gz JASKULAVZBNNHB-HNNXBMFYSA-N 0 0 319.326 4.335 50 0 DIAARN O=C(Nc1cccs1)Nc1nc2c(cc(F)cc2F)s1 ZINC000038671432 183006259 /nfs/dbraw/zinc/00/62/59/183006259.db2.gz AUANCTRWUMOBCZ-UHFFFAOYSA-N 0 0 311.338 4.280 50 0 DIAARN COc1cccc(-c2noc(CNc3cccc(Cl)c3)n2)c1 ZINC000039987675 183026616 /nfs/dbraw/zinc/02/66/16/183026616.db2.gz RWSZMDCRIWCLIA-UHFFFAOYSA-N 0 0 315.760 4.011 50 0 DIAARN CC(C)c1ccc(CCNC(=O)N(C)Cc2cccs2)cc1 ZINC000040016114 183027942 /nfs/dbraw/zinc/02/79/42/183027942.db2.gz LRJOFPLJBOMBFO-UHFFFAOYSA-N 0 0 316.470 4.256 50 0 DIAARN O=C(Nc1cccc(Cl)c1F)N[C@H]1CCOc2ccccc21 ZINC000040023901 183028097 /nfs/dbraw/zinc/02/80/97/183028097.db2.gz PZMKKJFNZGDNJD-LBPRGKRZSA-N 0 0 320.751 4.124 50 0 DIAARN Clc1cccc(OCCSc2nnc(-c3ccco3)o2)c1 ZINC000040033983 183029034 /nfs/dbraw/zinc/02/90/34/183029034.db2.gz VWVZRMMIIDIUEM-UHFFFAOYSA-N 0 0 322.773 4.154 50 0 DIAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)o1 ZINC000040034341 183029410 /nfs/dbraw/zinc/02/94/10/183029410.db2.gz GISGNQSFTKVAEU-MAUKXSAKSA-N 0 0 323.436 4.184 50 0 DIAARN Cc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1C ZINC000040050737 183029798 /nfs/dbraw/zinc/02/97/98/183029798.db2.gz MMPGWXSVDOHRMU-QGZVFWFLSA-N 0 0 311.425 4.201 50 0 DIAARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)s1 ZINC000040069851 183030415 /nfs/dbraw/zinc/03/04/15/183030415.db2.gz RLGSIWWAFDOHFG-JTQLQIEISA-N 0 0 309.818 4.243 50 0 DIAARN CC(C)CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000040067782 183030425 /nfs/dbraw/zinc/03/04/25/183030425.db2.gz JJQWNPPYNKBFSI-SNVBAGLBSA-N 0 0 303.233 4.352 50 0 DIAARN CCN(C(=O)CSc1nc2ccccc2s1)C1CCCC1 ZINC000040070963 183030516 /nfs/dbraw/zinc/03/05/16/183030516.db2.gz UXQUVTCMYDKQFY-UHFFFAOYSA-N 0 0 320.483 4.180 50 0 DIAARN C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000040074322 183031240 /nfs/dbraw/zinc/03/12/40/183031240.db2.gz DTTITSWZQKFETK-NEPJUHHUSA-N 0 0 313.319 4.119 50 0 DIAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(C(C)(C)C)no1 ZINC000040067002 183030942 /nfs/dbraw/zinc/03/09/42/183030942.db2.gz KCHMXGTUCJBAAY-LBPRGKRZSA-N 0 0 313.401 4.306 50 0 DIAARN O=C(Nc1ccccc1OC(F)F)c1cc2cc(F)ccc2[nH]1 ZINC000040062120 183031000 /nfs/dbraw/zinc/03/10/00/183031000.db2.gz KAMNSTSHZDLBJF-UHFFFAOYSA-N 0 0 320.270 4.161 50 0 DIAARN Cc1nc(SCc2ccccc2C)n(C[C@H]2CCCO2)c1C ZINC000039973600 183025721 /nfs/dbraw/zinc/02/57/21/183025721.db2.gz CLACMWAWBHWNTE-QGZVFWFLSA-N 0 0 316.470 4.280 50 0 DIAARN COc1ccc(C(C)=O)c(OCc2csc(C(C)(C)C)n2)c1 ZINC000040152841 183040085 /nfs/dbraw/zinc/04/00/85/183040085.db2.gz ARCCRHJODOZPMQ-UHFFFAOYSA-N 0 0 319.426 4.231 50 0 DIAARN C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(F)c1 ZINC000040144967 183040203 /nfs/dbraw/zinc/04/02/03/183040203.db2.gz LNWYENGCGOGMGB-JTQLQIEISA-N 0 0 316.763 4.451 50 0 DIAARN CCOc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3C)sc2C)cc1 ZINC000040159997 183041144 /nfs/dbraw/zinc/04/11/44/183041144.db2.gz BQYLIENQHPLNMC-QMTHXVAHSA-N 0 0 316.426 4.112 50 0 DIAARN Cc1ccccc1NCCC(=O)N(C)Cc1ccccc1Cl ZINC000040159468 183041378 /nfs/dbraw/zinc/04/13/78/183041378.db2.gz KTMHRZLQOVBPSH-UHFFFAOYSA-N 0 0 316.832 4.109 50 0 DIAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OC ZINC000040162138 183041647 /nfs/dbraw/zinc/04/16/47/183041647.db2.gz NIAHAGQTVSOUOX-UHFFFAOYSA-N 0 0 309.818 4.072 50 0 DIAARN O=C(CCc1cccs1)N1CCCSc2ccccc21 ZINC000040162103 183041768 /nfs/dbraw/zinc/04/17/68/183041768.db2.gz MOVMFADUVKCYFY-UHFFFAOYSA-N 0 0 303.452 4.210 50 0 DIAARN COC[C@@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000040161602 183041773 /nfs/dbraw/zinc/04/17/73/183041773.db2.gz YHIPYKZXLGQYGJ-SECBINFHSA-N 0 0 316.348 4.276 50 0 DIAARN Cc1ccccc1CN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000040071599 183031273 /nfs/dbraw/zinc/03/12/73/183031273.db2.gz YQMODFOONNQRHY-CYBMUJFWSA-N 0 0 313.426 4.300 50 0 DIAARN C[C@@H](NC(=O)N[C@H]1CCSc2ccccc21)c1cccs1 ZINC000040071112 183031374 /nfs/dbraw/zinc/03/13/74/183031374.db2.gz UTUOQVGVIVAFKU-YPMHNXCESA-N 0 0 318.467 4.345 50 0 DIAARN CC(C)(C)c1nc2cc(NC(=O)Cc3cccs3)ccc2o1 ZINC000040081619 183032237 /nfs/dbraw/zinc/03/22/37/183032237.db2.gz NDZASMPZQASXST-UHFFFAOYSA-N 0 0 314.410 4.368 50 0 DIAARN O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2ccccc21 ZINC000040086751 183032288 /nfs/dbraw/zinc/03/22/88/183032288.db2.gz NFOCZHYSLSYJRX-UHFFFAOYSA-N 0 0 324.767 4.198 50 0 DIAARN Cc1cc(C)n(-c2cccc(NC(=O)CCc3ccccc3)c2)n1 ZINC000040089737 183032925 /nfs/dbraw/zinc/03/29/25/183032925.db2.gz PTPRSQIKILFZJI-UHFFFAOYSA-N 0 0 319.408 4.060 50 0 DIAARN CC[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1OC(F)F ZINC000040090586 183033385 /nfs/dbraw/zinc/03/33/85/183033385.db2.gz LZSVUGRQWUNKGS-HBWSCVEGSA-N 0 0 321.323 4.162 50 0 DIAARN C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1cccs1 ZINC000040090234 183033710 /nfs/dbraw/zinc/03/37/10/183033710.db2.gz NEZAOGSNWWAIBP-NSHDSACASA-N 0 0 309.818 4.048 50 0 DIAARN C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000040097611 183034129 /nfs/dbraw/zinc/03/41/29/183034129.db2.gz IKSJNKBGNVIBLD-MRVPVSSYSA-N 0 0 312.266 4.126 50 0 DIAARN Cc1cc(NC(=O)N2CCCC[C@@H]2C)ccc1Br ZINC000040097474 183034147 /nfs/dbraw/zinc/03/41/47/183034147.db2.gz RDIMZIYVMDVWOK-NSHDSACASA-N 0 0 311.223 4.164 50 0 DIAARN CC(C)c1ccccc1NC(=O)NCCc1ccccc1F ZINC000040097303 183034351 /nfs/dbraw/zinc/03/43/51/183034351.db2.gz GNAILNDLAXJYDC-UHFFFAOYSA-N 0 0 300.377 4.313 50 0 DIAARN CCOc1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000040098775 183034906 /nfs/dbraw/zinc/03/49/06/183034906.db2.gz XAIHMFOXGYPKCV-GJZGRUSLSA-N 0 0 302.418 4.129 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000040103645 183035691 /nfs/dbraw/zinc/03/56/91/183035691.db2.gz SFCUTSJQGSWLSV-SNVBAGLBSA-N 0 0 311.223 4.021 50 0 DIAARN Cc1cc(C)n(-c2cccc(NC(=O)c3cc(C)ccc3C)c2)n1 ZINC000040106993 183036389 /nfs/dbraw/zinc/03/63/89/183036389.db2.gz VTVYCGWXQXUBQX-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN CC(C)Oc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000040122328 183038320 /nfs/dbraw/zinc/03/83/20/183038320.db2.gz DTAXPARLVOXXMC-UHFFFAOYSA-N 0 0 303.427 4.497 50 0 DIAARN CC(C)c1nc2cc(NC(=O)Cc3ccc(F)cc3)ccc2[nH]1 ZINC000040267296 183049973 /nfs/dbraw/zinc/04/99/73/183049973.db2.gz VSLDRRKEXAZINR-UHFFFAOYSA-N 0 0 311.360 4.007 50 0 DIAARN O=C(Nc1ccc2[nH]cnc2c1)c1ccc(Cl)c(Cl)c1 ZINC000040268538 183050061 /nfs/dbraw/zinc/05/00/61/183050061.db2.gz FPMCGVSRXDDTBP-UHFFFAOYSA-N 0 0 306.152 4.122 50 0 DIAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478350 183075816 /nfs/dbraw/zinc/07/58/16/183075816.db2.gz IJWLUPVUKWAYMI-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN CCCc1nc(CSc2nnc(-c3cccs3)o2)cs1 ZINC000040500938 183083575 /nfs/dbraw/zinc/08/35/75/183083575.db2.gz CRIFQODOYDNSGD-UHFFFAOYSA-N 0 0 323.468 4.499 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000040525670 183091912 /nfs/dbraw/zinc/09/19/12/183091912.db2.gz CAQHXCLVVAZHBJ-SNVBAGLBSA-N 0 0 320.742 4.455 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000040525379 183092265 /nfs/dbraw/zinc/09/22/65/183092265.db2.gz LZBGZJQHPNVERP-GFCCVEGCSA-N 0 0 300.324 4.110 50 0 DIAARN C[C@@H](O)c1cccc(Nc2ncnc3c4ccccc4oc32)c1 ZINC000040456212 183069126 /nfs/dbraw/zinc/06/91/26/183069126.db2.gz HRQDKQSJNOQZIC-LLVKDONJSA-N 0 0 305.337 4.173 50 0 DIAARN CC(C)(C)OC(=O)n1ccc(-c2ccc(Br)cc2)n1 ZINC000040456654 183069186 /nfs/dbraw/zinc/06/91/86/183069186.db2.gz ADHWVLXKXGZHBB-UHFFFAOYSA-N 0 0 323.190 4.096 50 0 DIAARN Cc1cc(Br)cc(Cl)c1NC(=O)c1ccco1 ZINC000040548943 183099981 /nfs/dbraw/zinc/09/99/81/183099981.db2.gz DQDWZDGVPOBIDL-UHFFFAOYSA-N 0 0 314.566 4.256 50 0 DIAARN CCOC(=O)c1cc(C(F)(F)F)cnc1Oc1ccccc1 ZINC000040566713 183104066 /nfs/dbraw/zinc/10/40/66/183104066.db2.gz ZBLUZHPUGGHCAC-UHFFFAOYSA-N 0 0 311.259 4.069 50 0 DIAARN C[C@H](O)c1cccc(Nc2nc3ccccc3c(NC3CC3)n2)c1 ZINC000041149586 183178032 /nfs/dbraw/zinc/17/80/32/183178032.db2.gz ITEVDVYUTXUXNG-LBPRGKRZSA-N 0 0 320.396 4.001 50 0 DIAARN c1ccc2c(c1)nc(N1CCCCCC1)nc2NC1CCCC1 ZINC000041152332 183178418 /nfs/dbraw/zinc/17/84/18/183178418.db2.gz FWWNJVFQAQWDBB-UHFFFAOYSA-N 0 0 310.445 4.365 50 0 DIAARN c1csc(C2=N[C@H]3N=C(c4ccccc4)S[C@H]3S2)c1 ZINC000041097568 183165288 /nfs/dbraw/zinc/16/52/88/183165288.db2.gz VQTDDZJWSUBKFQ-RISCZKNCSA-N 0 0 302.449 4.087 50 0 DIAARN Cc1ccc(C=CC(=O)Nc2cccc(-c3cc[nH]n3)c2)s1 ZINC000042045251 183230802 /nfs/dbraw/zinc/23/08/02/183230802.db2.gz QAQAJZXLZGQQEB-FPLPWBNLSA-N 0 0 309.394 4.099 50 0 DIAARN Cc1ccc(CN[C@H](c2nccn2C)c2ccc(F)cc2)cc1C ZINC000042203743 183241860 /nfs/dbraw/zinc/24/18/60/183241860.db2.gz YUBGQCMHEJHLLO-IBGZPJMESA-N 0 0 323.415 4.055 50 0 DIAARN Cc1cnc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)s1 ZINC000042218625 183243279 /nfs/dbraw/zinc/24/32/79/183243279.db2.gz PGBMFTNWNSZUNV-MRXNPFEDSA-N 0 0 324.405 4.210 50 0 DIAARN CCc1nnc(SCc2csc(C3CCCCC3)n2)[nH]1 ZINC000042154894 183235459 /nfs/dbraw/zinc/23/54/59/183235459.db2.gz YLRRVLUZULGHJO-UHFFFAOYSA-N 0 0 308.476 4.164 50 0 DIAARN CC(C)CO[C@H](C)C(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000042474083 183273804 /nfs/dbraw/zinc/27/38/04/183273804.db2.gz UTCSDVGZXRMTMK-RHSMWYFYSA-N 0 0 317.454 4.015 50 0 DIAARN O=C(NC1CCCCC1)N(Cc1ccsc1)Cc1ccco1 ZINC000042382096 183261532 /nfs/dbraw/zinc/26/15/32/183261532.db2.gz YISCVMIJXQGYNW-UHFFFAOYSA-N 0 0 318.442 4.386 50 0 DIAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Cl)cn1 ZINC000042392101 183263429 /nfs/dbraw/zinc/26/34/29/183263429.db2.gz UHSSTTQAJUVWPJ-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN O=C(Nc1cccc2cnccc21)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043162313 183342185 /nfs/dbraw/zinc/34/21/85/183342185.db2.gz ZCQSAVUMBZLUAE-GOEBONIOSA-N 0 0 309.413 4.279 50 0 DIAARN O=C(c1cc(F)c(F)c(F)c1)c1ccccc1Br ZINC000043210238 183344506 /nfs/dbraw/zinc/34/45/06/183344506.db2.gz ZTZPXSXGBGNBRD-UHFFFAOYSA-N 0 0 315.088 4.097 50 0 DIAARN CC(=O)Oc1ccccc1C(=O)c1cc(Cl)ccc1Cl ZINC000043209803 183344559 /nfs/dbraw/zinc/34/45/59/183344559.db2.gz OARMPYWXMFXILX-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CCOC(=O)CCCCCC(=O)c1ccc(F)cc1Cl ZINC000043214367 183345393 /nfs/dbraw/zinc/34/53/93/183345393.db2.gz SZRKDUTZRXHAIP-UHFFFAOYSA-N 0 0 300.757 4.175 50 0 DIAARN Cc1csc(N(C(=O)c2scnc2C)c2ccccc2)n1 ZINC000043269383 183349617 /nfs/dbraw/zinc/34/96/17/183349617.db2.gz GQJNHSXCSOCRGY-UHFFFAOYSA-N 0 0 315.423 4.195 50 0 DIAARN COc1ccccc1CN(C)C(=O)Nc1cccc2c1CCCC2 ZINC000043316259 183354092 /nfs/dbraw/zinc/35/40/92/183354092.db2.gz YYPCDUGWNMLLJK-UHFFFAOYSA-N 0 0 324.424 4.238 50 0 DIAARN CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000043333115 183355732 /nfs/dbraw/zinc/35/57/32/183355732.db2.gz SAXBYFYUJCSUGW-NSHDSACASA-N 0 0 320.339 4.246 50 0 DIAARN CN(CCc1ccccn1)C(=S)Nc1ccc2ccccc2c1 ZINC000044052095 183393706 /nfs/dbraw/zinc/39/37/06/183393706.db2.gz ALJXBDPZYSZBHO-UHFFFAOYSA-N 0 0 321.449 4.106 50 0 DIAARN COc1cc2ccnc(Cc3c[nH]c4ccccc34)c2cc1OC ZINC000044126139 183395471 /nfs/dbraw/zinc/39/54/71/183395471.db2.gz NOGWADCPCNSCSM-UHFFFAOYSA-N 0 0 318.376 4.324 50 0 DIAARN CCC(C)(C)[C@]1(C(C)(C)C)C(=O)N(C)C[C@H]1c1cccnc1 ZINC000044124089 183395601 /nfs/dbraw/zinc/39/56/01/183395601.db2.gz NCWYLZJHYGSCKP-KXBFYZLASA-N 0 0 302.462 4.106 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)no1 ZINC000045030715 183476639 /nfs/dbraw/zinc/47/66/39/183476639.db2.gz ILQPWFLZNQAVRL-AWEZNQCLSA-N 0 0 305.765 4.005 50 0 DIAARN 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184379221 /nfs/dbraw/zinc/37/92/21/184379221.db2.gz IEXOPEKPJGENPT-NSHDSACASA-N 0 0 320.795 4.036 50 0 DIAARN Cc1ccccc1-c1cc2c(N3CCCCCC3)nccn2n1 ZINC000067285430 184458458 /nfs/dbraw/zinc/45/84/58/184458458.db2.gz FWAKBRKCNGNBHX-UHFFFAOYSA-N 0 0 306.413 4.085 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000120349277 195148753 /nfs/dbraw/zinc/14/87/53/195148753.db2.gz OTHXYCBZWKARLK-UHFFFAOYSA-N 0 0 323.371 4.339 50 0 DIAARN CCC(=O)c1cccc(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000120867517 195253164 /nfs/dbraw/zinc/25/31/64/195253164.db2.gz OBZLLQIMMHFVCI-UHFFFAOYSA-N 0 0 320.348 4.187 50 0 DIAARN Cc1nc2ccc(C(=O)N3CC[C@@H](c4ccccc4)C3)cc2s1 ZINC000000618599 256513673 /nfs/dbraw/zinc/51/36/73/256513673.db2.gz QOGBSPLRISFSFR-MRXNPFEDSA-N 0 0 322.433 4.234 50 0 DIAARN COc1ccccc1C(=O)OCc1c(Cl)cccc1Cl ZINC000000618275 256513730 /nfs/dbraw/zinc/51/37/30/256513730.db2.gz PWGHNSBLDGFLMK-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN CCC(=O)NCC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 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CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(CC)c2)cc1 ZINC000012727934 257210785 /nfs/dbraw/zinc/21/07/85/257210785.db2.gz RXOMRXGFKTWTBX-AWEZNQCLSA-N 0 0 313.397 4.054 50 0 DIAARN CC[C@H](C)[C@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000524734660 257213403 /nfs/dbraw/zinc/21/34/03/257213403.db2.gz ZMRZRSHVEVOXQG-GUYCJALGSA-N 0 0 322.412 4.472 50 0 DIAARN Cc1nc(C)c(-c2csc(-c3c(C)nc4sccn43)n2)o1 ZINC000359324517 257235853 /nfs/dbraw/zinc/23/58/53/257235853.db2.gz SPZNBDWEIKLRKY-UHFFFAOYSA-N 0 0 316.411 4.100 50 0 DIAARN Cc1cc(-c2csc(NC(=O)c3scnc3C)n2)c(C)o1 ZINC000341098458 257237065 /nfs/dbraw/zinc/23/70/65/257237065.db2.gz ALKWPLIYSMFEJY-UHFFFAOYSA-N 0 0 319.411 4.037 50 0 DIAARN CC(C)[C@H](Sc1nncn1CC(F)(F)F)c1ccccc1 ZINC000521394509 257241045 /nfs/dbraw/zinc/24/10/45/257241045.db2.gz FQAKIVRXUZUIQO-LBPRGKRZSA-N 0 0 315.364 4.330 50 0 DIAARN CO[C@@H](C)c1ccc(-c2ccc(C(=O)NC3CC3)s2)cc1 ZINC000426612500 257244775 /nfs/dbraw/zinc/24/47/75/257244775.db2.gz DVMSEPRDLCNKCD-NSHDSACASA-N 0 0 301.411 4.015 50 0 DIAARN CO[C@H](C)c1ccc(-c2ccc(C(=O)NC3CC3)s2)cc1 ZINC000426612499 257245167 /nfs/dbraw/zinc/24/51/67/257245167.db2.gz DVMSEPRDLCNKCD-LLVKDONJSA-N 0 0 301.411 4.015 50 0 DIAARN O=C(c1cc(Cl)c[nH]1)N(Cc1ccncc1)C1CCCCC1 ZINC000426544632 257246558 /nfs/dbraw/zinc/24/65/58/257246558.db2.gz DNUCJCYWVCYFBV-UHFFFAOYSA-N 0 0 317.820 4.038 50 0 DIAARN CCC(C)(C)NC(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000426523296 257247974 /nfs/dbraw/zinc/24/79/74/257247974.db2.gz AELGPSKXTNNWRF-UHFFFAOYSA-N 0 0 302.340 4.035 50 0 DIAARN Cc1nnc(-c2ccccc2-c2cccc3c2OC(F)(F)O3)o1 ZINC000426500023 257248621 /nfs/dbraw/zinc/24/86/21/257248621.db2.gz BDJJVWBKXIWSRW-UHFFFAOYSA-N 0 0 316.263 4.034 50 0 DIAARN CCO[C@H](C)c1ccc(-c2ccc(C(=O)NC3CC3)s2)cc1 ZINC000426422736 257251934 /nfs/dbraw/zinc/25/19/34/257251934.db2.gz DOMHUQMZBQEKRE-GFCCVEGCSA-N 0 0 315.438 4.405 50 0 DIAARN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CC12CCCCC2 ZINC000426394755 257252714 /nfs/dbraw/zinc/25/27/14/257252714.db2.gz XAWIZNDYHBYEKS-QGZVFWFLSA-N 0 0 323.440 4.006 50 0 DIAARN CC[C@@H](c1nnc(SCc2ccncc2)o1)c1ccccc1 ZINC000067952998 257253684 /nfs/dbraw/zinc/25/36/84/257253684.db2.gz PGYPUYUTRYNYEJ-OAHLLOKOSA-N 0 0 311.410 4.299 50 0 DIAARN O=C(Nc1cccc2ccsc21)c1cc2ccccc2c(=O)[nH]1 ZINC000408513633 257256030 /nfs/dbraw/zinc/25/60/30/257256030.db2.gz JDELOJZEBWOZJN-UHFFFAOYSA-N 0 0 320.373 4.407 50 0 DIAARN O=C(Nc1ccc(COC2CCCC2)cc1)N1CCC=C(F)C1 ZINC000408514013 257256344 /nfs/dbraw/zinc/25/63/44/257256344.db2.gz OVYGSGXQRFKFII-UHFFFAOYSA-N 0 0 318.392 4.237 50 0 DIAARN Cc1cnc(C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)s1 ZINC000278519074 257257281 /nfs/dbraw/zinc/25/72/81/257257281.db2.gz MQXJVSPIRRSFQR-UHFFFAOYSA-N 0 0 314.454 4.088 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 ZINC000250859173 257259075 /nfs/dbraw/zinc/25/90/75/257259075.db2.gz SPPQPIJYSMWOGE-WMKCGOMXSA-N 0 0 316.485 4.469 50 0 biogenic DIAARN CN1C=CC(=C/C=C2/C=Nc3ccc(Br)cc32)C=C1 ZINC000334157473 257261992 /nfs/dbraw/zinc/26/19/92/257261992.db2.gz OMKSALQWENVUHQ-DXNYSGJVSA-N 0 0 313.198 4.448 50 0 DIAARN Cc1c2ccc(C)cc2oc1C(=O)NCc1cc(F)ccc1C ZINC000334161817 257262697 /nfs/dbraw/zinc/26/26/97/257262697.db2.gz FYPMLHMHLHRNDW-UHFFFAOYSA-N 0 0 311.356 4.427 50 0 DIAARN Cc1ccc(-c2cc3[nH]c(Cc4ccccc4)cc(=O)n3n2)cc1 ZINC000334161105 257262742 /nfs/dbraw/zinc/26/27/42/257262742.db2.gz TXFDBNMVOUKMPG-UHFFFAOYSA-N 0 0 315.376 4.001 50 0 DIAARN CN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000129330 257266471 /nfs/dbraw/zinc/26/64/71/257266471.db2.gz JSGZZXRTVADUJA-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000129273 257266496 /nfs/dbraw/zinc/26/64/96/257266496.db2.gz ZKOTTXYQOSKCKV-UHFFFAOYSA-N 0 0 302.805 4.439 50 0 DIAARN Cc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 ZINC000000452617 257266731 /nfs/dbraw/zinc/26/67/31/257266731.db2.gz LLTSESNMJLSTIJ-UHFFFAOYSA-N 0 0 319.857 4.198 50 0 DIAARN Cc1[nH]c2c(c1CC(Cl)(Cl)Cl)C(=O)CC(C)(C)C2 ZINC000003672594 257267412 /nfs/dbraw/zinc/26/74/12/257267412.db2.gz HAKBGRFKHOIBTR-UHFFFAOYSA-N 0 0 308.636 4.391 50 0 DIAARN CC(=O)Oc1cccc(OC(=O)Nc2cccc(Cl)c2C)c1 ZINC000004771204 257267618 /nfs/dbraw/zinc/26/76/18/257267618.db2.gz SATFFVHBJAUSDX-UHFFFAOYSA-N 0 0 319.744 4.185 50 0 DIAARN Fc1ccc(NCc2cc(C[NH+]3CCCCC3)cs2)cc1 ZINC000045796097 257269908 /nfs/dbraw/zinc/26/99/08/257269908.db2.gz KYQPJSGBKDJETF-UHFFFAOYSA-N 0 0 304.434 4.485 50 0 DIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccccn2)cc1C ZINC000071836510 184862337 /nfs/dbraw/zinc/86/23/37/184862337.db2.gz YGUKEUZTCWKERY-NLWGTHIKSA-N 0 0 320.436 4.166 50 0 DIAARN C[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccc(F)cc1 ZINC000071771303 184840621 /nfs/dbraw/zinc/84/06/21/184840621.db2.gz FGMBPWUCYNNYSY-SNVBAGLBSA-N 0 0 313.298 4.284 50 0 DIAARN Cc1ccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)cc1F ZINC000074121449 184959180 /nfs/dbraw/zinc/95/91/80/184959180.db2.gz OUVAVOJBQOPDTR-UHFFFAOYSA-N 0 0 323.249 4.265 50 0 DIAARN CC[C@@H](Nc1ccc(CNC(C)=O)cc1)c1ccc(F)cc1 ZINC000071915838 184904215 /nfs/dbraw/zinc/90/42/15/184904215.db2.gz UCLLFXXGXDSPPM-GOSISDBHSA-N 0 0 300.377 4.025 50 0 DIAARN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)no1 ZINC000121108660 195294632 /nfs/dbraw/zinc/29/46/32/195294632.db2.gz TVZJAHRXMRSECC-MRXNPFEDSA-N 0 0 312.413 4.208 50 0 DIAARN C[C@H](CC(=O)N1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1 ZINC000293888016 131779580 /nfs/dbraw/zinc/77/95/80/131779580.db2.gz KZYXYOGPXLXPMC-DNVCBOLYSA-N 0 0 308.425 4.185 50 0 DIAARN C[C@@H](CC(=O)N1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1 ZINC000293888027 131780108 /nfs/dbraw/zinc/78/01/08/131780108.db2.gz KZYXYOGPXLXPMC-KXBFYZLASA-N 0 0 308.425 4.185 50 0 DIAARN CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccco1 ZINC000000203649 134431136 /nfs/dbraw/zinc/43/11/36/134431136.db2.gz NMWFEZXGUYUYGA-LJQANCHMSA-N 0 0 301.349 4.293 50 0 DIAARN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCCc3ccccc32)c1 ZINC000001002578 134442427 /nfs/dbraw/zinc/44/24/27/134442427.db2.gz UAWTYMGAAAAAJM-MRXNPFEDSA-N 0 0 309.409 4.050 50 0 DIAARN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2ncc(-c3ccccc3)c2n1 ZINC000002398934 134449771 /nfs/dbraw/zinc/44/97/71/134449771.db2.gz ASFPPSDRQAHGIK-GJZGRUSLSA-N 0 0 320.440 4.187 50 0 DIAARN O=C(CCc1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000002632809 134450836 /nfs/dbraw/zinc/45/08/36/134450836.db2.gz OHAZIKOUJQVGFR-UHFFFAOYSA-N 0 0 322.433 4.208 50 0 DIAARN CC1CCN(c2ncnc3c4cc(Cl)ccc4oc32)CC1 ZINC000005255341 134469837 /nfs/dbraw/zinc/46/98/37/134469837.db2.gz ZSGRMALERMJGQO-UHFFFAOYSA-N 0 0 301.777 4.266 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(F)c(Cl)c1)CCO2 ZINC000006842580 134478780 /nfs/dbraw/zinc/47/87/80/134478780.db2.gz XVXWGIUSDNHQIN-UHFFFAOYSA-N 0 0 320.751 4.218 50 0 DIAARN CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)c2cc(C)ccc2O1 ZINC000006843391 134479418 /nfs/dbraw/zinc/47/94/18/134479418.db2.gz VLEFPUAYFAQJRF-OAHLLOKOSA-N 0 0 314.360 4.344 50 0 DIAARN C[C@H]1CN(C(=O)Nc2ccc(F)cc2)c2ccccc2S1 ZINC000006876952 134480912 /nfs/dbraw/zinc/48/09/12/134480912.db2.gz HHCQFTUQGASMCD-NSHDSACASA-N 0 0 302.374 4.358 50 0 DIAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccncc2)cc1 ZINC000007884811 134485777 /nfs/dbraw/zinc/48/57/77/134485777.db2.gz UVACRXIRDAHAFD-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 ZINC000007884828 134485804 /nfs/dbraw/zinc/48/58/04/134485804.db2.gz AIIYZRBVJSDTIQ-LJQANCHMSA-N 0 0 315.376 4.161 50 0 DIAARN Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(F)cc2)no1 ZINC000015298823 134523575 /nfs/dbraw/zinc/52/35/75/134523575.db2.gz WNDMJBDTIZLLPQ-UHFFFAOYSA-N 0 0 323.371 4.137 50 0 DIAARN Cc1ccc2[nH]c(=O)c(N3CCCCC3)c(-c3ccccc3)c2c1 ZINC000017945126 134530910 /nfs/dbraw/zinc/53/09/10/134530910.db2.gz TXVQTWDVIVQUFK-UHFFFAOYSA-N 0 0 318.420 4.494 50 0 DIAARN O=C(CCc1cccs1)Nc1ccccc1N1CCCCC1 ZINC000032674176 134682464 /nfs/dbraw/zinc/68/24/64/134682464.db2.gz PQEGQZJHPUOOCH-UHFFFAOYSA-N 0 0 314.454 4.310 50 0 DIAARN Cc1ccccc1-c1noc(-c2cccnc2N2CCCCC2)n1 ZINC000033317757 134687189 /nfs/dbraw/zinc/68/71/89/134687189.db2.gz JALTYTCMLJSEJG-UHFFFAOYSA-N 0 0 320.396 4.097 50 0 DIAARN O=C(c1ccc(F)cc1)N1CCSc2ccc(Cl)cc21 ZINC000040071179 134709640 /nfs/dbraw/zinc/70/96/40/134709640.db2.gz OKJUUOHOOHBJAP-UHFFFAOYSA-N 0 0 307.777 4.232 50 0 DIAARN CC(=O)N(C)c1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000129113805 196021331 /nfs/dbraw/zinc/02/13/31/196021331.db2.gz IBNRFAZVNYYDCW-QWHCGFSZSA-N 0 0 314.351 4.202 50 0 DIAARN Cc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)c1 ZINC000017743710 262507789 /nfs/dbraw/zinc/50/77/89/262507789.db2.gz RVYIYTOOIHEXKG-UHFFFAOYSA-N 0 0 323.440 4.259 50 0 DIAARN CC[C@H](C)NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000026978302 262525934 /nfs/dbraw/zinc/52/59/34/262525934.db2.gz SWEXAHWXNSWUBA-ZDUSSCGKSA-N 0 0 317.816 4.447 50 0 DIAARN CCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1 ZINC000000509503 262530355 /nfs/dbraw/zinc/53/03/55/262530355.db2.gz UQMHNEQLGJGCSZ-UHFFFAOYSA-N 0 0 323.396 4.316 50 0 DIAARN Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3)sc2c1 ZINC000009109694 431420707 /nfs/dbraw/zinc/42/07/07/431420707.db2.gz CJKOGEVAXABYEX-LBPRGKRZSA-N 0 0 312.394 4.011 50 0 DIAARN O=C(Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000000059200 331458581 /nfs/dbraw/zinc/45/85/81/331458581.db2.gz GYMKCUYDMAFXQR-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN S=C(Nc1nsc(-c2ccccc2)n1)Nc1ccccc1 ZINC000000400578 331462262 /nfs/dbraw/zinc/46/22/62/331462262.db2.gz ZCWIUNSNTFZNAQ-UHFFFAOYSA-N 0 0 312.423 4.014 50 0 DIAARN CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC)cc21 ZINC000000503590 331463483 /nfs/dbraw/zinc/46/34/83/331463483.db2.gz NWUUYEMSVIVPHC-UHFFFAOYSA-N 0 0 323.392 4.433 50 0 biogenic DIAARN CCc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 ZINC000010958288 331521657 /nfs/dbraw/zinc/52/16/57/331521657.db2.gz LRPPQFHQBRTSGB-UHFFFAOYSA-N 0 0 322.412 4.135 50 0 DIAARN Cc1sc2ncnc(NCc3nccc4ccccc43)c2c1C ZINC000012516108 331531944 /nfs/dbraw/zinc/53/19/44/331531944.db2.gz WZUPNYNUQKVPNG-UHFFFAOYSA-N 0 0 320.421 4.468 50 0 DIAARN C[C@@H](NC(=O)COc1cccc2ccccc21)c1cccs1 ZINC000012779336 331535344 /nfs/dbraw/zinc/53/53/44/331535344.db2.gz RURRBMJZWXVDMT-CYBMUJFWSA-N 0 0 311.406 4.158 50 0 DIAARN c1ccc2cc(OCc3nnc([C@H]4CCCCO4)o3)ccc2c1 ZINC000521393828 331567480 /nfs/dbraw/zinc/56/74/80/331567480.db2.gz YWCHUOZRUHMHBU-MRXNPFEDSA-N 0 0 310.353 4.043 50 0 DIAARN C[C@H](Oc1ccc2ccccc2c1)c1nnc([C@@H]2CCCOC2)o1 ZINC000521393878 331567664 /nfs/dbraw/zinc/56/76/64/331567664.db2.gz FKWFHJJFNHIRGE-XJKSGUPXSA-N 0 0 324.380 4.257 50 0 DIAARN O=C(c1ccc2ccccc2n1)N(Cc1cccs1)C1CC1 ZINC000030303894 331619442 /nfs/dbraw/zinc/61/94/42/331619442.db2.gz KIOHODPXIPZWSO-UHFFFAOYSA-N 0 0 308.406 4.101 50 0 DIAARN C[C@H](c1cccs1)N(C)C(=O)/C=C/c1nc2ccccc2o1 ZINC000033235589 331640682 /nfs/dbraw/zinc/64/06/82/331640682.db2.gz FPFHYAUQODUPGV-BZYZDCJZSA-N 0 0 312.394 4.122 50 0 DIAARN CSc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000044845522 331700959 /nfs/dbraw/zinc/70/09/59/331700959.db2.gz BWGDWBIPMAFJEZ-UHFFFAOYSA-N 0 0 306.818 4.384 50 0 DIAARN CCCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000044845512 331701056 /nfs/dbraw/zinc/70/10/56/331701056.db2.gz ZBGYWZDJASHRGF-UHFFFAOYSA-N 0 0 318.804 4.451 50 0 DIAARN Cc1cn2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2n1 ZINC000065512961 331878133 /nfs/dbraw/zinc/87/81/33/331878133.db2.gz INKDXWHYLYFFKN-UHFFFAOYSA-N 0 0 324.771 4.030 50 0 DIAARN COc1ccc([C@@H](O)C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000077028325 331957490 /nfs/dbraw/zinc/95/74/90/331957490.db2.gz GTIRDWBOUTYFQO-MOPGFXCFSA-N 0 0 314.425 4.150 50 0 DIAARN Cc1cc(OC[C@H](O)CSc2ccccn2)ccc1C(C)C ZINC000016839847 333213670 /nfs/dbraw/zinc/21/36/70/333213670.db2.gz BUSAFQDPGGVTRM-HNNXBMFYSA-N 0 0 317.454 4.045 50 0 DIAARN Cc1cc2cc(C[NH2+][C@H]3CCO[C@@H]3c3cccnc3)oc2cc1C ZINC000343380522 335160516 /nfs/dbraw/zinc/16/05/16/335160516.db2.gz BGKOYZCCUKZWCE-AZUAARDMSA-N 0 0 322.408 4.064 50 0 DIAARN CC(C)CC1(C)CCN(C(=O)N[C@@H](C)c2nccs2)CC1 ZINC000413644273 333859980 /nfs/dbraw/zinc/85/99/80/333859980.db2.gz STJFOLARCCTVOV-ZDUSSCGKSA-N 0 0 309.479 4.062 50 0 DIAARN CCCN(Cc1ccsc1)C(=O)N[C@@H](C)c1ncccc1C ZINC000534652291 334312520 /nfs/dbraw/zinc/31/25/20/334312520.db2.gz YXECUNGYEHGAGM-AWEZNQCLSA-N 0 0 317.458 4.134 50 0 DIAARN C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(COC(C)(C)C)on1 ZINC000330398943 334777941 /nfs/dbraw/zinc/77/79/41/334777941.db2.gz RANCEWUCHYGWPG-ZDUSSCGKSA-N 0 0 322.449 4.031 50 0 DIAARN CCCCCCOc1ccc(I)cc1 ZINC000034477389 335838989 /nfs/dbraw/zinc/83/89/89/335838989.db2.gz LGBIFIGDFFVXIW-UHFFFAOYSA-N 0 0 304.171 4.250 50 0 DIAARN CC[C@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1 ZINC000029280076 336088471 /nfs/dbraw/zinc/08/84/71/336088471.db2.gz DUGYSSUKMGOBSX-KRWDZBQOSA-N 0 0 305.381 4.209 50 0 DIAARN CCc1nc(C)c(C(=O)Nc2nc3c(cc(C)cc3C)s2)o1 ZINC000331812409 336149446 /nfs/dbraw/zinc/14/94/46/336149446.db2.gz XSYJIEANTMVATP-UHFFFAOYSA-N 0 0 315.398 4.024 50 0 DIAARN COc1cc(Cl)ccc1NC(=O)N(C)Cc1ccccc1 ZINC000000400420 336220219 /nfs/dbraw/zinc/22/02/19/336220219.db2.gz GYJHKIJPEBULMX-UHFFFAOYSA-N 0 0 304.777 4.013 50 0 DIAARN CSc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000401581 336220254 /nfs/dbraw/zinc/22/02/54/336220254.db2.gz RNWFPTBUDZKZGD-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN COc1cccc2c1CC[C@H]2Nc1nc(-c2ccccc2)ns1 ZINC000301662558 336321559 /nfs/dbraw/zinc/32/15/59/336321559.db2.gz VDVHUWMKIBTARP-OAHLLOKOSA-N 0 0 323.421 4.313 50 0 DIAARN CCc1ccc([C@@H]2CCCCN2c2nc([C@H](C)OC)ns2)o1 ZINC000367163875 336446877 /nfs/dbraw/zinc/44/68/77/336446877.db2.gz FJTVEODKIUDWGG-AAEUAGOBSA-N 0 0 321.446 4.133 50 0 DIAARN Nc1cccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000194021007 337081174 /nfs/dbraw/zinc/08/11/74/337081174.db2.gz ZSGPVUGGPFNISU-UHFFFAOYSA-N 0 0 304.349 4.313 50 0 DIAARN CC(C)(C)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000030280436 337354961 /nfs/dbraw/zinc/35/49/61/337354961.db2.gz OLTOWMYHGUNNBT-UHFFFAOYSA-N 0 0 315.388 4.067 50 0 DIAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1C ZINC000000450932 337367182 /nfs/dbraw/zinc/36/71/82/337367182.db2.gz SZBQULYIBMBBDK-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN c1ccc2oc(NCc3ccc(Oc4cnccn4)cc3)nc2c1 ZINC000097231816 337382022 /nfs/dbraw/zinc/38/20/22/337382022.db2.gz DODRGBKTHFEJIF-UHFFFAOYSA-N 0 0 318.336 4.022 50 0 DIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1cccs1 ZINC000253473180 337383737 /nfs/dbraw/zinc/38/37/37/337383737.db2.gz SIBHMUCVVOGQJC-XEHSLEBBSA-N 0 0 311.406 4.255 50 0 DIAARN O=C(Nc1ccc2c(c1)CCO2)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173050530 340356070 /nfs/dbraw/zinc/35/60/70/340356070.db2.gz IVCXLAGPHAZCTI-UHFFFAOYSA-N 0 0 322.339 4.008 50 0 DIAARN Cc1ccccc1-c1nc(-c2ccccc2Br)no1 ZINC000000442823 340373425 /nfs/dbraw/zinc/37/34/25/340373425.db2.gz FGWXDQSEPHBFPB-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN O=C(Nc1ccc2scnc2c1)c1ccc(OC(F)F)cc1 ZINC000195386407 340578924 /nfs/dbraw/zinc/57/89/24/340578924.db2.gz IPDQOLXWWIINTL-UHFFFAOYSA-N 0 0 320.320 4.150 50 0 DIAARN Cc1cc(C)cc(-c2nnc3sc(-c4cccs4)nn32)c1 ZINC000002183268 518186815 /nfs/dbraw/zinc/18/68/15/518186815.db2.gz RWFGYYHWJSDPPM-UHFFFAOYSA-N 0 0 312.423 4.198 50 0 DIAARN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)cc1 ZINC000173014467 518189924 /nfs/dbraw/zinc/18/99/24/518189924.db2.gz HJHWUUPSVIOHGU-QGZVFWFLSA-N 0 0 310.397 4.228 50 0 DIAARN Cc1nc([C@H]2CCCN2c2cccc(C(F)(F)F)n2)cs1 ZINC000302448152 534611126 /nfs/dbraw/zinc/61/11/26/534611126.db2.gz RPJOYHGGHTZOKT-LLVKDONJSA-N 0 0 313.348 4.207 50 0 DIAARN COC(C)(C)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000171602197 522460949 /nfs/dbraw/zinc/46/09/49/522460949.db2.gz PMQUMRQIBXVCCI-CQSZACIVSA-N 0 0 312.413 4.223 50 0 DIAARN Cc1cc([C@@H](C)NC(=O)C[C@H](C)c2c(C)noc2C)c(C)s1 ZINC000129798404 525449235 /nfs/dbraw/zinc/44/92/35/525449235.db2.gz WIZGPNQQCFPSAX-GXSJLCMTSA-N 0 0 320.458 4.341 50 0 DIAARN Cc1ccc([C@H]2CCCN2C(=O)CCCc2cccs2)o1 ZINC000265254594 526000580 /nfs/dbraw/zinc/00/05/80/526000580.db2.gz HKTCWHGXMNIMPM-OAHLLOKOSA-N 0 0 303.427 4.336 50 0 DIAARN Cc1nc(NC(=O)COc2ccccc2C(C)(C)C)sc1C ZINC000028228195 563580031 /nfs/dbraw/zinc/58/00/31/563580031.db2.gz MOPZGVHSFWSZFP-UHFFFAOYSA-N 0 0 318.442 4.075 50 0 DIAARN CC[C@@H](C)N1C(=S)N=NC1COc1ccc(C(C)(C)C)cc1 ZINC000011692605 563587978 /nfs/dbraw/zinc/58/79/78/563587978.db2.gz DNANMRXBHBBJQT-GFCCVEGCSA-N 0 0 319.474 4.414 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000003153523 563639032 /nfs/dbraw/zinc/63/90/32/563639032.db2.gz FZLADTZXYDSJFB-UHFFFAOYSA-N 0 0 317.841 4.017 50 0 DIAARN C[C@@H](Cc1ccsc1)NC(=O)N(C)[C@@H](C)c1cccs1 ZINC000048858721 563699747 /nfs/dbraw/zinc/69/97/47/563699747.db2.gz IHAIJKMJQWEICU-RYUDHWBXSA-N 0 0 308.472 4.143 50 0 DIAARN CC(C)n1ccnc1CN(Cc1cccc(Cl)c1)C1CC1 ZINC000299801582 563806938 /nfs/dbraw/zinc/80/69/38/563806938.db2.gz ZMBQQMITLCESDS-UHFFFAOYSA-N 0 0 303.837 4.282 50 0 DIAARN CC(C)(C)N1C(=O)CC(=O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000001387209 563814922 /nfs/dbraw/zinc/81/49/22/563814922.db2.gz XJTJCAOHEOEUQZ-CYBMUJFWSA-N 0 0 314.212 4.025 50 0 DIAARN Cc1ccc(Oc2ccccc2S(=O)(=O)C(F)(F)F)cc1 ZINC000012948339 563858685 /nfs/dbraw/zinc/85/86/85/563858685.db2.gz XXVIDDPKSMYXTO-UHFFFAOYSA-N 0 0 316.300 4.081 50 0 DIAARN Cc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000012948351 563858495 /nfs/dbraw/zinc/85/84/95/563858495.db2.gz MAASHGBPLOJREP-UHFFFAOYSA-N 0 0 316.300 4.081 50 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O=C(COc1ccc(Cl)cc1)OCc1ccccc1Cl ZINC000000149783 563224753 /nfs/dbraw/zinc/22/47/53/563224753.db2.gz MVXNKOKAZUCVIA-UHFFFAOYSA-N 0 0 311.164 4.116 50 0 DIAARN COc1ccccc1NC(=S)c1nc2ccccc2s1 ZINC000000302435 563237646 /nfs/dbraw/zinc/23/76/46/563237646.db2.gz QXTMVSCCIWTLKW-UHFFFAOYSA-N 0 0 300.408 4.093 50 0 DIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccnc1 ZINC000000309113 563238986 /nfs/dbraw/zinc/23/89/86/563238986.db2.gz JVRQTQKLUNNNIC-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN O=C(Nc1ccc2c3c(cccc31)CC2)C(Cl)(Cl)Cl ZINC000000317110 563240710 /nfs/dbraw/zinc/24/07/10/563240710.db2.gz BCCVUKZGFNNPFI-UHFFFAOYSA-N 0 0 314.599 4.247 50 0 DIAARN Cc1ccc(NC(=S)C(=S)Nc2ccc(C)cc2)cc1 ZINC000000336115 563241344 /nfs/dbraw/zinc/24/13/44/563241344.db2.gz GTFPRFSORZZBKX-UHFFFAOYSA-N 0 0 300.452 4.482 50 0 DIAARN Cc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000454175 563257309 /nfs/dbraw/zinc/25/73/09/563257309.db2.gz FUAFPBAYVIOHOI-CYBMUJFWSA-N 0 0 319.857 4.445 50 0 DIAARN O=C(CSCc1ccccc1Cl)Nc1ccccc1F ZINC000000453592 563257342 /nfs/dbraw/zinc/25/73/42/563257342.db2.gz NQAOHMVTVMQMGV-UHFFFAOYSA-N 0 0 309.793 4.351 50 0 DIAARN Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)c(Cl)c2)o1 ZINC000000460487 563258441 /nfs/dbraw/zinc/25/84/41/563258441.db2.gz WFCFDYHQPVONEK-FNORWQNLSA-N 0 0 310.180 4.224 50 0 DIAARN O=C(CSCc1c(Cl)cccc1Cl)NC1CCCC1 ZINC000000470495 563260776 /nfs/dbraw/zinc/26/07/76/563260776.db2.gz BZKTZEIDNHCCBD-UHFFFAOYSA-N 0 0 318.269 4.285 50 0 DIAARN CCOc1cc(C=O)ccc1OCc1c(F)cccc1Cl ZINC000002574935 563309929 /nfs/dbraw/zinc/30/99/29/563309929.db2.gz UXYITEQBQAXIMF-UHFFFAOYSA-N 0 0 308.736 4.269 50 0 DIAARN Fc1ccc(N2C(=S)N=NC2c2cccs2)cc1Cl ZINC000004623903 563327380 /nfs/dbraw/zinc/32/73/80/563327380.db2.gz BTZJPEOEWKWBNV-UHFFFAOYSA-N 0 0 311.794 4.077 50 0 DIAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(F)cc1 ZINC000015016057 563405456 /nfs/dbraw/zinc/40/54/56/563405456.db2.gz GXKFTGCVCJWJET-QPEQYQDCSA-N 0 0 318.145 4.081 50 0 DIAARN CCCCC(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027794249 563429826 /nfs/dbraw/zinc/42/98/26/563429826.db2.gz ILYBAONGEOBKOV-UHFFFAOYSA-N 0 0 323.190 4.233 50 0 DIAARN COCC1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)CC1 ZINC000072281320 563433093 /nfs/dbraw/zinc/43/30/93/563433093.db2.gz SHKGCSHXHCXHOG-CYBMUJFWSA-N 0 0 322.474 4.001 50 0 DIAARN C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 ZINC000000035985 563211425 /nfs/dbraw/zinc/21/14/25/563211425.db2.gz CDPPLUXLEPLBEO-FZMZJTMJSA-N 0 0 324.262 4.394 50 0 DIAARN Ic1ccc2noc(-c3ccccc3)c2c1 ZINC000000040856 563211511 /nfs/dbraw/zinc/21/15/11/563211511.db2.gz RBHYLYKASMWRRM-UHFFFAOYSA-N 0 0 321.117 4.099 50 0 DIAARN CC(C)c1cc(I)cc(C(C)C)c1O ZINC000000008678 563211127 /nfs/dbraw/zinc/21/11/27/563211127.db2.gz JMJHJCFWTNRPEI-UHFFFAOYSA-N 0 0 304.171 4.244 50 0 in-vivo DIAARN Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000000035661 563211195 /nfs/dbraw/zinc/21/11/95/563211195.db2.gz CZYYHQLWZCZURS-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CN(C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000030323 563211202 /nfs/dbraw/zinc/21/12/02/563211202.db2.gz ZQHVWIPCDPODKO-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN COc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042010 563211521 /nfs/dbraw/zinc/21/15/21/563211521.db2.gz SDANUTMYSINJJL-WCQYABFASA-N 0 0 314.212 4.225 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000050312 563211892 /nfs/dbraw/zinc/21/18/92/563211892.db2.gz XQMAQFNMWHCRPQ-UHFFFAOYSA-N 0 0 318.760 4.161 50 0 DIAARN CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC)cc21 ZINC000000054897 563212030 /nfs/dbraw/zinc/21/20/30/563212030.db2.gz KLPJDTQEUFEICQ-UHFFFAOYSA-N 0 0 323.392 4.433 50 0 biogenic,in-vitro DIAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000000059952 563212123 /nfs/dbraw/zinc/21/21/23/563212123.db2.gz ZEZOHAMFEDSPPI-UHFFFAOYSA-N 0 0 320.319 4.276 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000060721 563212217 /nfs/dbraw/zinc/21/22/17/563212217.db2.gz NAWKIVRBELKSAA-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN Cc1ccc(-n2c(C)nc3cc(Cl)ccc3c2=O)cc1Cl ZINC000000067146 563212744 /nfs/dbraw/zinc/21/27/44/563212744.db2.gz YLAIRXKUIFGJDS-UHFFFAOYSA-N 0 0 319.191 4.309 50 0 DIAARN S=C(Nc1cccc(Cl)c1)N1CCc2ccccc2C1 ZINC000000067421 563212805 /nfs/dbraw/zinc/21/28/05/563212805.db2.gz SWCKZURWKLLINA-UHFFFAOYSA-N 0 0 302.830 4.095 50 0 DIAARN Cc1ccccc1N1C(=S)N=NC1c1ccccc1Cl ZINC000000067699 563212811 /nfs/dbraw/zinc/21/28/11/563212811.db2.gz MNAVZSRZUORPBG-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN Cc1ccc(NC(=O)c2c(N)sc3c2CCCC3)cc1C ZINC000000074394 563213354 /nfs/dbraw/zinc/21/33/54/563213354.db2.gz YWRULUKTDYAMHL-UHFFFAOYSA-N 0 0 300.427 4.078 50 0 DIAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCc1ccco1 ZINC000000071929 563213371 /nfs/dbraw/zinc/21/33/71/563213371.db2.gz AGFAMZALAVWTBU-UHFFFAOYSA-N 0 0 324.380 4.233 50 0 DIAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CC(C)C ZINC000000072551 563213463 /nfs/dbraw/zinc/21/34/63/563213463.db2.gz KXJDMTRSTXRFKQ-UHFFFAOYSA-N 0 0 309.369 4.183 50 0 DIAARN c1ccc(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)cc1 ZINC000000078681 563214160 /nfs/dbraw/zinc/21/41/60/563214160.db2.gz WOHXJBFEBYJSFZ-UHFFFAOYSA-N 0 0 311.388 4.182 50 0 DIAARN Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1 ZINC000000088878 563215110 /nfs/dbraw/zinc/21/51/10/563215110.db2.gz ZPFCTLLHNLVSMI-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN Cc1cc(C)n(-c2ncnc3scc(-c4ccc(C)cc4)c32)n1 ZINC000000087367 563215230 /nfs/dbraw/zinc/21/52/30/563215230.db2.gz CKHYFQBXYGJKAK-UHFFFAOYSA-N 0 0 320.421 4.469 50 0 DIAARN Fc1ccc(NC(=S)NCc2cccs2)cc1Cl ZINC000000089112 563215386 /nfs/dbraw/zinc/21/53/86/563215386.db2.gz CWWDHFSVFKXMRP-UHFFFAOYSA-N 0 0 300.811 4.027 50 0 DIAARN COc1ccc(-c2noc(-c3ccc(C)cc3Cl)n2)cc1 ZINC000000091446 563215750 /nfs/dbraw/zinc/21/57/50/563215750.db2.gz XBUDBWATSSWZLT-UHFFFAOYSA-N 0 0 300.745 4.374 50 0 DIAARN Cc1ccc(N2N[C@@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1C ZINC000000093151 563215782 /nfs/dbraw/zinc/21/57/82/563215782.db2.gz VYTAONWKLRDLIJ-KZULUSFZSA-N 0 0 317.502 4.045 50 0 DIAARN 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O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000000104487 563217634 /nfs/dbraw/zinc/21/76/34/563217634.db2.gz HOTCTNARJASYBM-IBGZPJMESA-N 0 0 316.360 4.163 50 0 DIAARN COc1ccc(C(=O)Oc2cccc3cccnc32)cc1Cl ZINC000000105947 563217892 /nfs/dbraw/zinc/21/78/92/563217892.db2.gz IZVSNMMAWMKWRH-UHFFFAOYSA-N 0 0 313.740 4.116 50 0 DIAARN Cc1c(C)n(C[C@H](O)CNc2ccc(C)c(C)c2)c2ccccc12 ZINC000000111645 563218469 /nfs/dbraw/zinc/21/84/69/563218469.db2.gz ABXXOQUNFUOENU-LJQANCHMSA-N 0 0 322.452 4.348 50 0 DIAARN O=C(CCSc1nc2ccccc2s1)Nc1ccccc1 ZINC000000110191 563218488 /nfs/dbraw/zinc/21/84/88/563218488.db2.gz ZTDBYTQKLFULCS-UHFFFAOYSA-N 0 0 314.435 4.417 50 0 DIAARN Cc1csc(NC(=O)c2ccco2)c1C(=O)c1ccccc1 ZINC000000116263 563219355 /nfs/dbraw/zinc/21/93/55/563219355.db2.gz FTTBSUQKIDOZLL-UHFFFAOYSA-N 0 0 311.362 4.133 50 0 DIAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1 ZINC000000116500 563219390 /nfs/dbraw/zinc/21/93/90/563219390.db2.gz JOVPJLCMDCGVSV-UHFFFAOYSA-N 0 0 303.361 4.371 50 0 DIAARN CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C ZINC000000117998 563220005 /nfs/dbraw/zinc/22/00/05/563220005.db2.gz DEVCZLMVNZTDTN-AEFFLSMTSA-N 0 0 317.429 4.131 50 0 DIAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)OC ZINC000000118616 563220038 /nfs/dbraw/zinc/22/00/38/563220038.db2.gz BTTDUYMENYNNTJ-UHFFFAOYSA-N 0 0 319.382 4.079 50 0 DIAARN CCOC(=O)c1nc(C)nc(Sc2ccc(Cl)cc2)c1C ZINC000000127551 563221013 /nfs/dbraw/zinc/22/10/13/563221013.db2.gz UGCFORACENSOLK-UHFFFAOYSA-N 0 0 322.817 4.075 50 0 DIAARN CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000130210 563221631 /nfs/dbraw/zinc/22/16/31/563221631.db2.gz BIOLFVSCKKADAP-UHFFFAOYSA-N 0 0 307.349 4.169 50 0 DIAARN Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000000129865 563221637 /nfs/dbraw/zinc/22/16/37/563221637.db2.gz SPHAKERPOAKQAJ-UHFFFAOYSA-N 0 0 324.424 4.278 50 0 DIAARN CCOc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 ZINC000000133459 563222153 /nfs/dbraw/zinc/22/21/53/563222153.db2.gz PSRAUVLBIQVYLJ-UHFFFAOYSA-N 0 0 313.397 4.226 50 0 DIAARN COc1ccccc1OCC(=O)Nc1c(C)cccc1C(C)C ZINC000000140414 563222726 /nfs/dbraw/zinc/22/27/26/563222726.db2.gz TXSGLGYVHXYAPW-UHFFFAOYSA-N 0 0 313.397 4.145 50 0 DIAARN c1sc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000000137083 563222838 /nfs/dbraw/zinc/22/28/38/563222838.db2.gz JTMQMWCWSWYWPR-UHFFFAOYSA-N 0 0 322.433 4.314 50 0 DIAARN Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2C)cc(C)c1Cl ZINC000000141685 563223233 /nfs/dbraw/zinc/22/32/33/563223233.db2.gz HLGHUBBOHLDEMI-NHYWBVRUSA-N 0 0 309.837 4.031 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](Cn2cccc2)C1 ZINC000000141423 563223169 /nfs/dbraw/zinc/22/31/69/563223169.db2.gz ZSZUDTSYRLMGNJ-AWEZNQCLSA-N 0 0 317.820 4.086 50 0 DIAARN Clc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 ZINC000000141039 563223358 /nfs/dbraw/zinc/22/33/58/563223358.db2.gz AOAQSUXMHOBCDJ-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000000140790 563223382 /nfs/dbraw/zinc/22/33/82/563223382.db2.gz ZORFSVANUYMEBA-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN Cc1ccc(C)c(NC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000000142045 563223415 /nfs/dbraw/zinc/22/34/15/563223415.db2.gz CTHQVKXXUYIUOI-UHFFFAOYSA-N 0 0 324.424 4.278 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2Cl)c1C ZINC000000144573 563223804 /nfs/dbraw/zinc/22/38/04/563223804.db2.gz HLIVMSQECCSZHP-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN O=C(c1ccc(Br)cc1)N1CCCc2ccccc21 ZINC000000146658 563223974 /nfs/dbraw/zinc/22/39/74/563223974.db2.gz MTXLDXAUVSDSRQ-UHFFFAOYSA-N 0 0 316.198 4.042 50 0 DIAARN CCc1cccc(CC)c1NC(=O)c1cc2ccccc2oc1=O ZINC000000145169 563224064 /nfs/dbraw/zinc/22/40/64/563224064.db2.gz XQEBHACDPMFKSR-UHFFFAOYSA-N 0 0 321.376 4.170 50 0 DIAARN O=C(Nc1nnc(C2CC2)s1)c1cc(Cl)sc1Cl ZINC000000147177 563224515 /nfs/dbraw/zinc/22/45/15/563224515.db2.gz KIOOKFDTDZDCCY-UHFFFAOYSA-N 0 0 320.226 4.036 50 0 DIAARN CCCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000000148962 563224672 /nfs/dbraw/zinc/22/46/72/563224672.db2.gz JDDKCNFHNRZMJI-UHFFFAOYSA-N 0 0 323.421 4.410 50 0 DIAARN COCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000000149487 563224734 /nfs/dbraw/zinc/22/47/34/563224734.db2.gz YMWITJHFEKSYND-UHFFFAOYSA-N 0 0 324.405 4.062 50 0 DIAARN COc1ccc([C@H]2Nc3cc(OC)ccc3-n3cccc32)cc1 ZINC000000155158 563225041 /nfs/dbraw/zinc/22/50/41/563225041.db2.gz LBJJKESXWWPXKL-LJQANCHMSA-N 0 0 306.365 4.009 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21 ZINC000000157244 563225696 /nfs/dbraw/zinc/22/56/96/563225696.db2.gz GWJWEIZZKNTXHF-UHFFFAOYSA-N 0 0 318.376 4.243 50 0 DIAARN COc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)c(OC)c1 ZINC000000160534 563225760 /nfs/dbraw/zinc/22/57/60/563225760.db2.gz PRXYEBPSTONXNU-UHFFFAOYSA-N 0 0 312.394 4.219 50 0 DIAARN O=Cc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)n1 ZINC000000163592 563226403 /nfs/dbraw/zinc/22/64/03/563226403.db2.gz VUUITUUENPOMIU-UHFFFAOYSA-N 0 0 303.148 4.416 50 0 in-vitro DIAARN O=C(Nc1cc(Cl)cc(Cl)c1)NC1Cc2ccccc2C1 ZINC000000171395 563226843 /nfs/dbraw/zinc/22/68/43/563226843.db2.gz GKXIIRWKBJUGGA-UHFFFAOYSA-N 0 0 321.207 4.282 50 0 DIAARN Cc1c(Cl)cccc1-c1ccc(C(=O)NCc2ccco2)o1 ZINC000000170847 563226856 /nfs/dbraw/zinc/22/68/56/563226856.db2.gz OSEKGZNSOVYQRD-UHFFFAOYSA-N 0 0 315.756 4.431 50 0 DIAARN CCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000172533 563227529 /nfs/dbraw/zinc/22/75/29/563227529.db2.gz OXPJFCLLSRJWSF-UHFFFAOYSA-N 0 0 300.745 4.497 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000000176196 563227785 /nfs/dbraw/zinc/22/77/85/563227785.db2.gz KEINQZGOECMNBB-ZDUSSCGKSA-N 0 0 306.365 4.141 50 0 DIAARN O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccccc1 ZINC000000183489 563228587 /nfs/dbraw/zinc/22/85/87/563228587.db2.gz VKEATZROJSMVBC-IBGZPJMESA-N 0 0 316.360 4.163 50 0 DIAARN CCN(CC)C(=O)[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000188803 563229100 /nfs/dbraw/zinc/22/91/00/563229100.db2.gz MHHOOEQCZIIIGO-ZDUSSCGKSA-N 0 0 304.821 4.110 50 0 aggregator DIAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccccc1Cl ZINC000000187282 563229124 /nfs/dbraw/zinc/22/91/24/563229124.db2.gz XIGZJWBBMFBHIG-UHFFFAOYSA-N 0 0 307.736 4.294 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000183923 563229130 /nfs/dbraw/zinc/22/91/30/563229130.db2.gz QBNOCUZIMRCTOO-ZDUSSCGKSA-N 0 0 311.381 4.224 50 0 DIAARN CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1C ZINC000000189894 563229171 /nfs/dbraw/zinc/22/91/71/563229171.db2.gz URNHOZHUSNFEBU-UHFFFAOYSA-N 0 0 308.333 4.002 50 0 biogenic DIAARN COc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000000184154 563229207 /nfs/dbraw/zinc/22/92/07/563229207.db2.gz GFEBNMNHJHACLC-GOSISDBHSA-N 0 0 303.361 4.323 50 0 DIAARN CCOc1ccccc1-c1cc(C(=O)OC)c2ccccc2n1 ZINC000000205278 563230310 /nfs/dbraw/zinc/23/03/10/563230310.db2.gz WLFUMUDEYSQPGX-UHFFFAOYSA-N 0 0 307.349 4.087 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1c1cccnc1 ZINC000000205585 563230526 /nfs/dbraw/zinc/23/05/26/563230526.db2.gz FPIAKZZBWRIKMY-INIZCTEOSA-N 0 0 317.339 4.119 50 0 DIAARN Cc1nc2sc3c(c2c(NCc2ccccc2)n1)CCCC3 ZINC000000215523 563231031 /nfs/dbraw/zinc/23/10/31/563231031.db2.gz PMPREBDLBUSBIP-UHFFFAOYSA-N 0 0 309.438 4.491 50 0 DIAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CC3)cc12 ZINC000000213163 563231084 /nfs/dbraw/zinc/23/10/84/563231084.db2.gz ZNMGIYROSOZVQN-UHFFFAOYSA-N 0 0 323.440 4.128 50 0 DIAARN C[C@@H]1C[C@H](NC(=O)c2ccccc2Br)CC(C)(C)C1 ZINC000000224421 563231598 /nfs/dbraw/zinc/23/15/98/563231598.db2.gz KBONKRUNHZUBQR-NEPJUHHUSA-N 0 0 324.262 4.394 50 0 DIAARN COc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1Cl ZINC000000226933 563231766 /nfs/dbraw/zinc/23/17/66/563231766.db2.gz CZXHQGWBGGBOFH-JXMROGBWSA-N 0 0 301.773 4.309 50 0 biogenic DIAARN O=C(/C=C/c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000259113 563233893 /nfs/dbraw/zinc/23/38/93/563233893.db2.gz WFRGDOJUMXLLJX-DHZHZOJOSA-N 0 0 323.411 4.320 50 0 DIAARN CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000000253533 563234271 /nfs/dbraw/zinc/23/42/71/563234271.db2.gz HSNMNPFHICKDDW-UHFFFAOYSA-N 0 0 308.377 4.399 50 0 DIAARN Cc1ccc(C)c(NCC(=O)c2ccc(Br)cc2)c1 ZINC000000287755 563236061 /nfs/dbraw/zinc/23/60/61/563236061.db2.gz BUGUBRRKBUYIRU-UHFFFAOYSA-N 0 0 318.214 4.361 50 0 DIAARN O=C(Cc1cccs1)NC(c1ccccc1)c1ccccc1 ZINC000000282994 563236071 /nfs/dbraw/zinc/23/60/71/563236071.db2.gz BNOCMDOTZHVDCZ-UHFFFAOYSA-N 0 0 307.418 4.196 50 0 DIAARN O=C(NCc1cccnc1)c1sc2cc(F)ccc2c1Cl ZINC000000290533 563236498 /nfs/dbraw/zinc/23/64/98/563236498.db2.gz UJQBMEBLRMIYRZ-UHFFFAOYSA-N 0 0 320.776 4.019 50 0 DIAARN Cc1nnc(NC(=O)c2sc3cc(C)ccc3c2Cl)s1 ZINC000000291601 563236630 /nfs/dbraw/zinc/23/66/30/563236630.db2.gz UMYJRBICBGERBJ-UHFFFAOYSA-N 0 0 323.830 4.275 50 0 DIAARN COc1ccc(C)cc1NC(=O)Cc1cccc2ccccc21 ZINC000000299905 563237895 /nfs/dbraw/zinc/23/78/95/563237895.db2.gz XCKVCMNHWXFJPQ-UHFFFAOYSA-N 0 0 305.377 4.338 50 0 DIAARN O=C(NCCc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000000303176 563237901 /nfs/dbraw/zinc/23/79/01/563237901.db2.gz DHZJRSQMKVNQJM-UHFFFAOYSA-N 0 0 312.171 4.105 50 0 DIAARN COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000302203 563237941 /nfs/dbraw/zinc/23/79/41/563237941.db2.gz JXYWZQQLXPXMGD-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@H]1C ZINC000000304223 563238517 /nfs/dbraw/zinc/23/85/17/563238517.db2.gz UVCNIJHXQVVPMN-LLVKDONJSA-N 0 0 318.804 4.318 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000000304372 563238624 /nfs/dbraw/zinc/23/86/24/563238624.db2.gz OJUZFEKMUXEZBK-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000311694 563239709 /nfs/dbraw/zinc/23/97/09/563239709.db2.gz IYGUNCZHYNMTKV-ZDUSSCGKSA-N 0 0 313.397 4.470 50 0 DIAARN O=C(CSCc1ccc(Cl)cc1)NC1CCCCCC1 ZINC000000316116 563240120 /nfs/dbraw/zinc/24/01/20/563240120.db2.gz GOSHLWSHFRUTQF-UHFFFAOYSA-N 0 0 311.878 4.412 50 0 DIAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cccc2c1-c1ccccc1C2=O ZINC000000315135 563240167 /nfs/dbraw/zinc/24/01/67/563240167.db2.gz SLLYNRORQJEDNW-KBPBESRZSA-N 0 0 319.404 4.301 50 0 DIAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000000316674 563240209 /nfs/dbraw/zinc/24/02/09/563240209.db2.gz MTZMJGZJWLNDSD-UHFFFAOYSA-N 0 0 307.752 4.113 50 0 DIAARN S=C(Nc1ccc(Br)cc1)NC1CCCCC1 ZINC000000315235 563240250 /nfs/dbraw/zinc/24/02/50/563240250.db2.gz ILMQCIQWYBOPLV-UHFFFAOYSA-N 0 0 313.264 4.068 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000000316805 563240401 /nfs/dbraw/zinc/24/04/01/563240401.db2.gz HGDXVTDOHMKKCN-UHFFFAOYSA-N 0 0 314.816 4.121 50 0 DIAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000000317192 563240763 /nfs/dbraw/zinc/24/07/63/563240763.db2.gz YNROZJXSKYYOLI-UHFFFAOYSA-N 0 0 316.788 4.249 50 0 DIAARN O=C(c1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000000327248 563241532 /nfs/dbraw/zinc/24/15/32/563241532.db2.gz GHPWLZRRFXHNMA-UHFFFAOYSA-N 0 0 313.828 4.435 50 0 in-vivo DIAARN Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CC[C@H](C)C3 ZINC000000341197 563241867 /nfs/dbraw/zinc/24/18/67/563241867.db2.gz CENWFDYMJUVINS-JTQLQIEISA-N 0 0 311.406 4.350 50 0 DIAARN O=C1c2ccccc2C(=O)N1c1ccccc1Cc1ccccc1 ZINC000000337950 563241977 /nfs/dbraw/zinc/24/19/77/563241977.db2.gz UPSKPOBROCUYIJ-UHFFFAOYSA-N 0 0 313.356 4.078 50 0 DIAARN Cc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000000341369 563242054 /nfs/dbraw/zinc/24/20/54/563242054.db2.gz KVOJYQDFJPFQHN-JXMROGBWSA-N 0 0 316.198 4.409 50 0 DIAARN CC(C)C[C@H](C(=O)[O-])[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000342968 563242791 /nfs/dbraw/zinc/24/27/91/563242791.db2.gz FSACAIPYCHIDCK-LJQANCHMSA-N 0 0 311.425 4.188 50 0 DIAARN O=C(Nc1ccccc1)c1ccccc1C(=O)Nc1ccccc1 ZINC000000348926 563243362 /nfs/dbraw/zinc/24/33/62/563243362.db2.gz ZYACJWRVLBPZNG-UHFFFAOYSA-N 0 0 316.360 4.191 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)c2c(Cl)cnn2CC)cc1 ZINC000000356097 563243723 /nfs/dbraw/zinc/24/37/23/563243723.db2.gz FXFNBSYTHRVBEM-NSHDSACASA-N 0 0 305.809 4.322 50 0 DIAARN CC(C)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000000359392 563244469 /nfs/dbraw/zinc/24/44/69/563244469.db2.gz NQWFLMVHFIXZCB-UHFFFAOYSA-N 0 0 312.394 4.336 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000000362273 563244899 /nfs/dbraw/zinc/24/48/99/563244899.db2.gz NHLMTWJSUDJRRX-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN C[C@@H](NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000000362405 563244921 /nfs/dbraw/zinc/24/49/21/563244921.db2.gz WAKAIOIWPGEZPJ-OAHLLOKOSA-N 0 0 305.377 4.096 50 0 DIAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000000362753 563244940 /nfs/dbraw/zinc/24/49/40/563244940.db2.gz PZMUSTLZYZLBTQ-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000000364516 563245237 /nfs/dbraw/zinc/24/52/37/563245237.db2.gz MIHCOYZWDYVDKY-UHFFFAOYSA-N 0 0 316.788 4.331 50 0 DIAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000000364707 563246001 /nfs/dbraw/zinc/24/60/01/563246001.db2.gz RYBIAKWXPFNALL-LBPRGKRZSA-N 0 0 312.394 4.011 50 0 DIAARN CN1c2ccccc2N(C)C1c1ccc(Br)cc1 ZINC000000365731 563246036 /nfs/dbraw/zinc/24/60/36/563246036.db2.gz JQNYMBSIOOXZEH-UHFFFAOYSA-N 0 0 303.203 4.034 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000000364921 563246114 /nfs/dbraw/zinc/24/61/14/563246114.db2.gz XSHMNTHPFCDUMP-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN O=C(CCc1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000000369323 563246524 /nfs/dbraw/zinc/24/65/24/563246524.db2.gz USOKHTPKNMBBRG-UHFFFAOYSA-N 0 0 308.406 4.381 50 0 DIAARN CCC(CC)C(=O)Nc1ccc(NC(=O)C(CC)CC)cc1 ZINC000000369768 563246583 /nfs/dbraw/zinc/24/65/83/563246583.db2.gz LVQBPCSWCZJKEX-UHFFFAOYSA-N 0 0 304.434 4.436 50 0 DIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1cccs1 ZINC000000375524 563246976 /nfs/dbraw/zinc/24/69/76/563246976.db2.gz MUSDVLUQTAVHHL-YPUOHESYSA-N 0 0 301.386 4.268 50 0 DIAARN Cc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1 ZINC000000373662 563246993 /nfs/dbraw/zinc/24/69/93/563246993.db2.gz IOGOCRUEMVEYDF-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN O=C(Oc1ccccc1)c1ccccc1OC(=O)C1CCCCC1 ZINC000000383588 563248096 /nfs/dbraw/zinc/24/80/96/563248096.db2.gz FAZGYHLFRVWTJU-UHFFFAOYSA-N 0 0 324.376 4.392 50 0 DIAARN Cc1ccnc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000383396 563248357 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/nfs/dbraw/zinc/32/13/46/563321346.db2.gz WBXPVYQTHZVPDK-UHFFFAOYSA-N 0 0 321.323 4.329 50 0 DIAARN CC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000003100481 563321778 /nfs/dbraw/zinc/32/17/78/563321778.db2.gz VKXHPIKSXIBRCK-SNVBAGLBSA-N 0 0 304.217 4.067 50 0 DIAARN Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2)cc1 ZINC000003131890 563322545 /nfs/dbraw/zinc/32/25/45/563322545.db2.gz KENCHVFXABFDDW-UHFFFAOYSA-N 0 0 324.424 4.441 50 0 biogenic DIAARN O=C(Cc1nc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000003278075 563323647 /nfs/dbraw/zinc/32/36/47/563323647.db2.gz LENBBBAUQPOLJK-UHFFFAOYSA-N 0 0 302.786 4.131 50 0 DIAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccccc1 ZINC000034794181 563323705 /nfs/dbraw/zinc/32/37/05/563323705.db2.gz YXGMJHVPOYWNHU-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN CCc1[nH]nc(-c2ccsc2)c1NC(=O)c1cccc(F)c1 ZINC000034796540 563324534 /nfs/dbraw/zinc/32/45/34/563324534.db2.gz ZHOSBVFOFMHKPS-UHFFFAOYSA-N 0 0 315.373 4.092 50 0 DIAARN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C1CCC1 ZINC000034795726 563324552 /nfs/dbraw/zinc/32/45/52/563324552.db2.gz ZRISPXIITGBWIF-UHFFFAOYSA-N 0 0 311.429 4.421 50 0 DIAARN Fc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000034906887 563324638 /nfs/dbraw/zinc/32/46/38/563324638.db2.gz KEIONPVFIUNHMQ-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN Cc1ccc(NC(=O)N2CCc3c(c4ccccc4n3C)C2)cc1 ZINC000034928408 563325325 /nfs/dbraw/zinc/32/53/25/563325325.db2.gz LRMDYXFMEYTDIT-UHFFFAOYSA-N 0 0 319.408 4.077 50 0 DIAARN CCC(=O)Nc1c(-c2cccc(Cl)c2)nc2cc(C)ccn21 ZINC000034913154 563325328 /nfs/dbraw/zinc/32/53/28/563325328.db2.gz CODJNPMTATWTPF-UHFFFAOYSA-N 0 0 313.788 4.312 50 0 DIAARN CCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(C)cn21 ZINC000034912918 563325357 /nfs/dbraw/zinc/32/53/57/563325357.db2.gz QHWPIEHPVDDFFK-UHFFFAOYSA-N 0 0 307.397 4.357 50 0 DIAARN O=C(CSc1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000003523634 563325893 /nfs/dbraw/zinc/32/58/93/563325893.db2.gz BVHZJPRSOJDLDM-UHFFFAOYSA-N 0 0 309.337 4.019 50 0 DIAARN Clc1cc(Cl)c(OCCCCn2cncn2)c(Cl)c1 ZINC000005013331 563329285 /nfs/dbraw/zinc/32/92/85/563329285.db2.gz RJWSOLNGEPKNME-UHFFFAOYSA-N 0 0 320.607 4.098 50 0 DIAARN CCCCOC(=O)c1ccc(OC(=O)c2ccccc2C)cc1 ZINC000005597060 563330745 /nfs/dbraw/zinc/33/07/45/563330745.db2.gz KOLPGWUNJZNRFQ-UHFFFAOYSA-N 0 0 312.365 4.171 50 0 DIAARN CC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000071902619 563330866 /nfs/dbraw/zinc/33/08/66/563330866.db2.gz BPNGBSFPBPIMIM-NSHDSACASA-N 0 0 304.340 4.121 50 0 DIAARN C[C@H](Nc1ccc(N2CCOC2=O)cc1)c1c(F)cccc1F ZINC000071902557 563331028 /nfs/dbraw/zinc/33/10/28/563331028.db2.gz NGUFVVYYTVWJNH-NSHDSACASA-N 0 0 318.323 4.095 50 0 DIAARN COc1ccc(N[C@H](C)c2nnc(C)o2)cc1Cc1ccccc1 ZINC000071902393 563331250 /nfs/dbraw/zinc/33/12/50/563331250.db2.gz SWPXIZOBEJDEAX-CYBMUJFWSA-N 0 0 323.396 4.151 50 0 DIAARN Cc1ccc(-c2nc(SCc3ncc(C(C)C)o3)n[nH]2)cc1 ZINC000071904408 563332072 /nfs/dbraw/zinc/33/20/72/563332072.db2.gz FURJKMQIFJAATE-UHFFFAOYSA-N 0 0 314.414 4.184 50 0 DIAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)CCC1CCCCC1 ZINC000071909697 563333422 /nfs/dbraw/zinc/33/34/22/563333422.db2.gz MZXLBRWUPHXXGY-QFIPXVFZSA-N 0 0 321.486 4.173 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000006742442 563333903 /nfs/dbraw/zinc/33/39/03/563333903.db2.gz HOGGKOCYBKBQAL-UHFFFAOYSA-N 0 0 311.385 4.412 50 0 DIAARN Cc1cccc(N(C)C(=O)c2ccc(-c3ccccc3F)o2)n1 ZINC000071911359 563334070 /nfs/dbraw/zinc/33/40/70/563334070.db2.gz PYDSCGQLKBZCTB-UHFFFAOYSA-N 0 0 310.328 4.066 50 0 DIAARN CCc1nnc2c(N[C@H](C)c3ccccc3)nc3ccccc3n12 ZINC000006901685 563335388 /nfs/dbraw/zinc/33/53/88/563335388.db2.gz GFNQWDBYXMCZOH-CYBMUJFWSA-N 0 0 317.396 4.013 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(Br)cc2)c(F)c1 ZINC000007265132 563337477 /nfs/dbraw/zinc/33/74/77/563337477.db2.gz FYMOEBAYOLCBRJ-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1nnc([C@H](C)N[C@@H](Cc2ccccc2)c2cccs2)o1 ZINC000097373851 563337884 /nfs/dbraw/zinc/33/78/84/563337884.db2.gz INHKNBYNJYPQLZ-WFASDCNBSA-N 0 0 313.426 4.074 50 0 DIAARN Cc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2 ZINC000002705655 563338458 /nfs/dbraw/zinc/33/84/58/563338458.db2.gz QHWZUPDURLZFQU-UHFFFAOYSA-N 0 0 306.390 4.437 50 0 DIAARN Cc1ccc(C(=O)Nc2nc3c(cc(F)cc3F)s2)cc1C ZINC000002714016 563339458 /nfs/dbraw/zinc/33/94/58/563339458.db2.gz WQMFDYWVQCAHQH-UHFFFAOYSA-N 0 0 318.348 4.444 50 0 DIAARN CC(C)(C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000007609515 563340090 /nfs/dbraw/zinc/34/00/90/563340090.db2.gz RKFVVMIISFDTOG-UHFFFAOYSA-N 0 0 318.214 4.365 50 0 DIAARN Cc1cnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000002765352 563340595 /nfs/dbraw/zinc/34/05/95/563340595.db2.gz VXTHDWOJHYLFGJ-UHFFFAOYSA-N 0 0 308.406 4.222 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000002764077 563341191 /nfs/dbraw/zinc/34/11/91/563341191.db2.gz XPXIICYRWDNJET-SJORKVTESA-N 0 0 311.425 4.257 50 0 DIAARN CCC[C@H](C)NC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000002773661 563341961 /nfs/dbraw/zinc/34/19/61/563341961.db2.gz XXAXICZBUSAIEV-UWVGGRQHSA-N 0 0 304.217 4.066 50 0 DIAARN CCc1cccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1 ZINC000002796859 563342554 /nfs/dbraw/zinc/34/25/54/563342554.db2.gz QIAFAZMUZROPNK-UHFFFAOYSA-N 0 0 321.323 4.111 50 0 DIAARN CCC(CC)c1nnc(NC(=O)c2cc3ccccc3o2)s1 ZINC000008315470 563345946 /nfs/dbraw/zinc/34/59/46/563345946.db2.gz YNTMXLSPNFBSFV-UHFFFAOYSA-N 0 0 315.398 4.440 50 0 DIAARN Cc1cccc(CC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000008382881 563346531 /nfs/dbraw/zinc/34/65/31/563346531.db2.gz GFVJLPINFGOYLX-UHFFFAOYSA-N 0 0 318.214 4.247 50 0 DIAARN Cc1ccc2[nH]c(CCC(=O)Nc3cccc(Cl)c3)nc2c1 ZINC000008740618 563350026 /nfs/dbraw/zinc/35/00/26/563350026.db2.gz CNKWHXPWGQHPEQ-UHFFFAOYSA-N 0 0 313.788 4.096 50 0 DIAARN O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000008764183 563350051 /nfs/dbraw/zinc/35/00/51/563350051.db2.gz VGJYKNYBTUYNKP-UHFFFAOYSA-N 0 0 321.767 4.034 50 0 DIAARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Cl ZINC000008723213 563350089 /nfs/dbraw/zinc/35/00/89/563350089.db2.gz JKYRNHOOJRJXCX-MRXNPFEDSA-N 0 0 303.789 4.445 50 0 DIAARN Cc1nc2[nH]c3ccccc3n2c(=O)c1Cc1cccc(Cl)c1 ZINC000009060503 563351547 /nfs/dbraw/zinc/35/15/47/563351547.db2.gz KWJAJRHPNGZERE-UHFFFAOYSA-N 0 0 323.783 4.141 50 0 DIAARN CCC(C)(C)c1nnc(NC(=O)CCCc2ccccc2)s1 ZINC000009095473 563352252 /nfs/dbraw/zinc/35/22/52/563352252.db2.gz VZXBVSXSAXZFHW-UHFFFAOYSA-N 0 0 317.458 4.187 50 0 DIAARN COc1c(C)cccc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009141280 563352288 /nfs/dbraw/zinc/35/22/88/563352288.db2.gz AMRRNAHJZWBFDE-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN O=C(c1ccccc1F)N1CCC[C@@H]1c1ccccc1Cl ZINC000036620653 563354309 /nfs/dbraw/zinc/35/43/09/563354309.db2.gz BKDCFVQDEJOKOA-MRXNPFEDSA-N 0 0 303.764 4.456 50 0 DIAARN CC(C)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 ZINC000010365940 563357028 /nfs/dbraw/zinc/35/70/28/563357028.db2.gz WCNABYUDUITRCB-UHFFFAOYSA-N 0 0 307.437 4.328 50 0 DIAARN Cc1cc(NC(=O)Nc2cccs2)ccc1Br ZINC000002908224 563357269 /nfs/dbraw/zinc/35/72/69/563357269.db2.gz BGXNQIFFHNDZAB-UHFFFAOYSA-N 0 0 311.204 4.463 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1C ZINC000011667099 563358999 /nfs/dbraw/zinc/35/89/99/563358999.db2.gz JPLNCJVDZIJJOS-SFHVURJKSA-N 0 0 324.424 4.257 50 0 DIAARN Cc1c([C@H](C)NCc2ccccc2F)cnn1-c1ccccc1 ZINC000011709129 563359288 /nfs/dbraw/zinc/35/92/88/563359288.db2.gz GTRHNRJAAGYOFV-AWEZNQCLSA-N 0 0 309.388 4.171 50 0 DIAARN CCCC[NH+](CCCC)CCCOc1ccc(C(=O)[O-])cc1 ZINC000011962651 563361198 /nfs/dbraw/zinc/36/11/98/563361198.db2.gz SPPUXULYIUEQMC-UHFFFAOYSA-N 0 0 307.434 4.056 50 0 in-vitro DIAARN O=Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012336307 563366213 /nfs/dbraw/zinc/36/62/13/563366213.db2.gz PDNCREKLEIAJBY-UHFFFAOYSA-N 0 0 301.651 4.359 50 0 DIAARN CC[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)c1ccncc1 ZINC000012308483 563366547 /nfs/dbraw/zinc/36/65/47/563366547.db2.gz UQRZWCNEZJWQFJ-MRXNPFEDSA-N 0 0 308.381 4.326 50 0 DIAARN O=C(Nc1ccc2sccc2c1)c1cccc2nsnc21 ZINC000012340969 563366615 /nfs/dbraw/zinc/36/66/15/563366615.db2.gz KHCACIPWIITSJI-UHFFFAOYSA-N 0 0 311.391 4.158 50 0 DIAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000012380777 563367666 /nfs/dbraw/zinc/36/76/66/563367666.db2.gz KASLFEFWXMZFJW-SNVBAGLBSA-N 0 0 322.792 4.032 50 0 DIAARN CCCNC(=O)c1cc2oc(C)cc2n1Cc1cc(C)ccc1C ZINC000004345680 563370905 /nfs/dbraw/zinc/37/09/05/563370905.db2.gz HXKGZAGZXFOWED-UHFFFAOYSA-N 0 0 324.424 4.348 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N[C@H](C)Cc1ccsc1 ZINC000012612340 563371593 /nfs/dbraw/zinc/37/15/93/563371593.db2.gz GJDVNIXSZVRPNY-SNVBAGLBSA-N 0 0 317.385 4.303 50 0 DIAARN CCN(CC)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000032611639 563371620 /nfs/dbraw/zinc/37/16/20/563371620.db2.gz FRFPKUNZZZKPNE-UHFFFAOYSA-N 0 0 323.392 4.494 50 0 DIAARN CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012577272 563371686 /nfs/dbraw/zinc/37/16/86/563371686.db2.gz SQWLVPQNCVTYJN-LJQANCHMSA-N 0 0 321.420 4.185 50 0 DIAARN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(F)cc1 ZINC000012651407 563372389 /nfs/dbraw/zinc/37/23/89/563372389.db2.gz IJQREMNQRXNSNB-UHFFFAOYSA-N 0 0 316.351 4.207 50 0 DIAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)SC2CCCCC2)cc1 ZINC000012771264 563373372 /nfs/dbraw/zinc/37/33/72/563373372.db2.gz XBVKRLKSVYJKGL-GFCCVEGCSA-N 0 0 305.443 4.282 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012759170 563373466 /nfs/dbraw/zinc/37/34/66/563373466.db2.gz VHXGJMHXQWAEDC-OWCLPIDISA-N 0 0 309.409 4.382 50 0 DIAARN CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032622101 563373528 /nfs/dbraw/zinc/37/35/28/563373528.db2.gz ZZFJUOCBSRSOKC-UHFFFAOYSA-N 0 0 307.353 4.142 50 0 DIAARN Cc1ccc(O)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000012801248 563373902 /nfs/dbraw/zinc/37/39/02/563373902.db2.gz SRYJDBGEQNIFDX-UHFFFAOYSA-N 0 0 324.207 4.280 50 0 DIAARN CSc1ccc(-c2csc(NC3CC3)n2)cc1NC(C)=O ZINC000012797740 563373957 /nfs/dbraw/zinc/37/39/57/563373957.db2.gz JYYDMFINYFOXLB-UHFFFAOYSA-N 0 0 319.455 4.065 50 0 DIAARN O=C(Nc1ccc([C@@H]2CC=NO2)cc1)c1ccccc1Cl ZINC000012854874 563374887 /nfs/dbraw/zinc/37/48/87/563374887.db2.gz KVZQKNFOOZGTIR-HNNXBMFYSA-N 0 0 300.745 4.040 50 0 DIAARN CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1C ZINC000032678645 563375215 /nfs/dbraw/zinc/37/52/15/563375215.db2.gz ISTBUQFSWYVZGB-UHFFFAOYSA-N 0 0 307.846 4.301 50 0 DIAARN O=C(Cc1cccs1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000012995203 563376948 /nfs/dbraw/zinc/37/69/48/563376948.db2.gz RQLBUPMMHYXLJO-ZDUSSCGKSA-N 0 0 323.870 4.297 50 0 DIAARN Oc1ccc(Br)cc1-c1cc(-c2ccccc2)n[nH]1 ZINC000013126471 563377849 /nfs/dbraw/zinc/37/78/49/563377849.db2.gz FGHRPNUFUMDZNL-UHFFFAOYSA-N 0 0 315.170 4.212 50 0 DIAARN c1nc2n(n1)[C@H](c1ccccc1)C1CCCc3ccccc3C1=N2 ZINC000013129941 563378955 /nfs/dbraw/zinc/37/89/55/563378955.db2.gz CVDIZNCRWXCQSX-LJQANCHMSA-N 0 0 314.392 4.041 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2C)c1C ZINC000013141293 563379436 /nfs/dbraw/zinc/37/94/36/563379436.db2.gz GTZHJOJEBGWISL-UHFFFAOYSA-N 0 0 304.777 4.048 50 0 DIAARN C[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Br)cc1 ZINC000013320255 563380407 /nfs/dbraw/zinc/38/04/07/563380407.db2.gz JXZZYWYECGUIJJ-PHIMTYICSA-N 0 0 311.223 4.244 50 0 DIAARN CCc1ccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000013326330 563380620 /nfs/dbraw/zinc/38/06/20/563380620.db2.gz VLULOLBVENVMHU-UHFFFAOYSA-N 0 0 319.788 4.172 50 0 DIAARN CC(C)[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1cccs1 ZINC000032715683 563381356 /nfs/dbraw/zinc/38/13/56/563381356.db2.gz BSKWABVKTYDBPF-PBHICJAKSA-N 0 0 317.454 4.167 50 0 DIAARN CCC1CCC(NC(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000013330313 563381523 /nfs/dbraw/zinc/38/15/23/563381523.db2.gz VJZZCZHZZMRKGV-UHFFFAOYSA-N 0 0 312.413 4.349 50 0 DIAARN C[C@@H]1CN(c2nc3c(cc(Cl)cc3Cl)s2)C[C@H](C)O1 ZINC000013468885 563382195 /nfs/dbraw/zinc/38/21/95/563382195.db2.gz FFVLNQJCQNJHDD-OCAPTIKFSA-N 0 0 317.241 4.217 50 0 DIAARN CCOc1ccc(NC(=S)NCCCc2ccccc2)cc1 ZINC000013544307 563383286 /nfs/dbraw/zinc/38/32/86/563383286.db2.gz SSCACFNNUBRQSY-UHFFFAOYSA-N 0 0 314.454 4.005 50 0 DIAARN C[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000013656270 563384407 /nfs/dbraw/zinc/38/44/07/563384407.db2.gz VDYRINLHVJBFDA-TXEJJXNPSA-N 0 0 322.861 4.073 50 0 DIAARN Cc1ccc(-c2csc3[nH]c(-c4ccncc4)nc(=O)c23)cc1 ZINC000013683102 563385440 /nfs/dbraw/zinc/38/54/40/563385440.db2.gz NKODGVKAWVXXKY-UHFFFAOYSA-N 0 0 319.389 4.022 50 0 DIAARN Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)c1ccncc1 ZINC000032740847 563388938 /nfs/dbraw/zinc/38/89/38/563388938.db2.gz LQTFLEWYHLVDIC-LBPRGKRZSA-N 0 0 323.421 4.005 50 0 DIAARN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000032738313 563389599 /nfs/dbraw/zinc/38/95/99/563389599.db2.gz ZPSRISJRCMBPTJ-LBPRGKRZSA-N 0 0 319.364 4.109 50 0 DIAARN CN(C)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000013798675 563389643 /nfs/dbraw/zinc/38/96/43/563389643.db2.gz VSVUKGSDGQYFPK-UHFFFAOYSA-N 0 0 305.834 4.215 50 0 DIAARN CC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000013811530 563389694 /nfs/dbraw/zinc/38/96/94/563389694.db2.gz ITDQTULRCVVUHP-CJNGLKHVSA-N 0 0 302.761 4.213 50 0 DIAARN c1csc(CNc2nn3cc(-c4ccccc4)nc3s2)c1 ZINC000032760002 563390525 /nfs/dbraw/zinc/39/05/25/563390525.db2.gz ZHKDLVPNPDTYNF-UHFFFAOYSA-N 0 0 312.423 4.131 50 0 DIAARN CC(C)c1cccc(C(C)C)c1NC(=S)NC[C@H]1CCCO1 ZINC000013841090 563390609 /nfs/dbraw/zinc/39/06/09/563390609.db2.gz DQVLESYHBZCKHI-CQSZACIVSA-N 0 0 320.502 4.399 50 0 DIAARN CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 ZINC000032768107 563391271 /nfs/dbraw/zinc/39/12/71/563391271.db2.gz OSCYQWMLADCVCU-UHFFFAOYSA-N 0 0 320.392 4.457 50 0 DIAARN CCc1ccc([C@@H](C)NC(=S)Nc2cccc(OC)c2)cc1 ZINC000013931010 563391977 /nfs/dbraw/zinc/39/19/77/563391977.db2.gz PBPZYAJWZRYVCZ-CYBMUJFWSA-N 0 0 314.454 4.305 50 0 DIAARN CC[C@@H](NC(=S)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000013931564 563392640 /nfs/dbraw/zinc/39/26/40/563392640.db2.gz GEDOGKICSGEULJ-OAHLLOKOSA-N 0 0 314.454 4.441 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000013953736 563393304 /nfs/dbraw/zinc/39/33/04/563393304.db2.gz AJMSNXOAYHWZNX-UHFFFAOYSA-N 0 0 318.417 4.098 50 0 DIAARN O=C(Nc1nccs1)c1cccc2c3c([nH]c21)CCCCC3 ZINC000032779856 563393418 /nfs/dbraw/zinc/39/34/18/563393418.db2.gz ZWMXBKQCRXIMSZ-UHFFFAOYSA-N 0 0 311.410 4.146 50 0 DIAARN C[C@H](NC(=O)CC1CCCC1)c1cccc(Br)c1 ZINC000032796151 563394523 /nfs/dbraw/zinc/39/45/23/563394523.db2.gz CZPPFOFZOMBWRD-NSHDSACASA-N 0 0 310.235 4.207 50 0 DIAARN O=C(NNc1ccc(F)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000048136545 563395654 /nfs/dbraw/zinc/39/56/54/563395654.db2.gz JNSZRWKAKNAQBK-UHFFFAOYSA-N 0 0 318.351 4.154 50 0 DIAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014124960 563396236 /nfs/dbraw/zinc/39/62/36/563396236.db2.gz OVUQKCJWFSPMCN-LBPRGKRZSA-N 0 0 323.421 4.005 50 0 DIAARN Cc1ccccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000014167274 563396681 /nfs/dbraw/zinc/39/66/81/563396681.db2.gz JTZRLOHLECWSSB-UHFFFAOYSA-N 0 0 308.362 4.220 50 0 DIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC000014162409 563397062 /nfs/dbraw/zinc/39/70/62/563397062.db2.gz JCWIACTYILMNJF-UHFFFAOYSA-N 0 0 319.550 4.433 50 0 DIAARN Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccco1 ZINC000014167311 563397173 /nfs/dbraw/zinc/39/71/73/563397173.db2.gz YXJJZMBVIWKYOJ-UHFFFAOYSA-N 0 0 318.423 4.045 50 0 DIAARN CC(=O)c1ccc(-c2ccc(C(=O)N3CCCCCC3)o2)cc1 ZINC000014181722 563397371 /nfs/dbraw/zinc/39/73/71/563397371.db2.gz HQHYXXKENZDVKG-UHFFFAOYSA-N 0 0 311.381 4.165 50 0 DIAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccoc2)n1 ZINC000014185720 563397393 /nfs/dbraw/zinc/39/73/93/563397393.db2.gz IVQZWBRXUYNLBI-UHFFFAOYSA-N 0 0 323.377 4.445 50 0 DIAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000014201165 563397702 /nfs/dbraw/zinc/39/77/02/563397702.db2.gz LZGSEVOQMKTRTL-CHWSQXEVSA-N 0 0 323.392 4.144 50 0 DIAARN O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000014188024 563397849 /nfs/dbraw/zinc/39/78/49/563397849.db2.gz UTTMXGATKJODJM-UHFFFAOYSA-N 0 0 314.316 4.246 50 0 DIAARN Brc1cccc(CN2CCc3ccccc3C2)c1 ZINC000014217422 563398226 /nfs/dbraw/zinc/39/82/26/563398226.db2.gz ZCNDLMAMTUCHGV-UHFFFAOYSA-N 0 0 302.215 4.007 50 0 DIAARN O=C(CCc1ccsc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032818725 563398323 /nfs/dbraw/zinc/39/83/23/563398323.db2.gz KEBCRJPAGFZXFW-UHFFFAOYSA-N 0 0 312.394 4.338 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)n[nH]2)cc1 ZINC000014206448 563398427 /nfs/dbraw/zinc/39/84/27/563398427.db2.gz ASTRRENSUGMRDM-UHFFFAOYSA-N 0 0 305.381 4.254 50 0 DIAARN Cc1csc(SCc2nnc(-c3ccc(C)cc3)o2)n1 ZINC000032810070 563398917 /nfs/dbraw/zinc/39/89/17/563398917.db2.gz ZCTPVLQBPDJQIP-UHFFFAOYSA-N 0 0 303.412 4.102 50 0 DIAARN C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccs1 ZINC000014249749 563399766 /nfs/dbraw/zinc/39/97/66/563399766.db2.gz QYXIWNOJTRDVJN-JTQLQIEISA-N 0 0 319.813 4.055 50 0 DIAARN O=C(Nc1cccnc1Oc1ccccc1)[C@@H]1CC1(Cl)Cl ZINC000032832648 563401034 /nfs/dbraw/zinc/40/10/34/563401034.db2.gz XNSQISBYDOFCLD-NSHDSACASA-N 0 0 323.179 4.006 50 0 DIAARN CC(C)C(=O)Nc1ccc(Nc2ncnc3ccsc32)cc1 ZINC000032853439 563402184 /nfs/dbraw/zinc/40/21/84/563402184.db2.gz NXWUQEGDCQPHTI-UHFFFAOYSA-N 0 0 312.398 4.029 50 0 DIAARN Nc1cc(Br)ccc1Oc1ccc2c(c1)CCC2 ZINC000014631039 563402298 /nfs/dbraw/zinc/40/22/98/563402298.db2.gz PVFDEAUBJJBTGH-UHFFFAOYSA-N 0 0 304.187 4.312 50 0 DIAARN CCOc1ccc2cc(C(=O)c3ccc(NC(C)=O)cc3)oc2c1 ZINC000032869581 563403680 /nfs/dbraw/zinc/40/36/80/563403680.db2.gz XDFPALRILZIEID-UHFFFAOYSA-N 0 0 323.348 4.021 50 0 DIAARN C=C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003881940 563404129 /nfs/dbraw/zinc/40/41/29/563404129.db2.gz ILGPJZIKYMIGMU-BCRJPVCJSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000032870438 563404891 /nfs/dbraw/zinc/40/48/91/563404891.db2.gz KFZGZJBFNJKREV-UHFFFAOYSA-N 0 0 321.380 4.278 50 0 DIAARN Cc1ccc2c(c1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N2 ZINC000015017476 563405530 /nfs/dbraw/zinc/40/55/30/563405530.db2.gz GLCPIOBLCQHJEF-CQSZACIVSA-N 0 0 305.299 4.292 50 0 DIAARN CN1c2ccccc2[C@@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000015017742 563405865 /nfs/dbraw/zinc/40/58/65/563405865.db2.gz BEEGGBYMYQQZQP-CQSZACIVSA-N 0 0 305.299 4.008 50 0 DIAARN CCCOc1ccc(C[C@@H]2c3cc(C)cc(C)c3NC2=O)cc1 ZINC000015017781 563406212 /nfs/dbraw/zinc/40/62/12/563406212.db2.gz OJKIZSIJLUGPAH-GOSISDBHSA-N 0 0 309.409 4.371 50 0 DIAARN COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1 ZINC000015084679 563406702 /nfs/dbraw/zinc/40/67/02/563406702.db2.gz ONJTVDKKZPYERG-AWEZNQCLSA-N 0 0 313.422 4.110 50 0 DIAARN O=C1C[C@@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1 ZINC000015109956 563407660 /nfs/dbraw/zinc/40/76/60/563407660.db2.gz LAINAZUYFAUXLK-AWEZNQCLSA-N 0 0 321.405 4.361 50 0 DIAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 ZINC000015198924 563408410 /nfs/dbraw/zinc/40/84/10/563408410.db2.gz UTZZBNKUICBESB-CQSZACIVSA-N 0 0 321.804 4.446 50 0 DIAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2CC[C@@H]1C ZINC000015304132 563409125 /nfs/dbraw/zinc/40/91/25/563409125.db2.gz VCWYOZXPXCWRTA-IRXDYDNUSA-N 0 0 322.452 4.047 50 0 DIAARN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000032901520 563410282 /nfs/dbraw/zinc/41/02/82/563410282.db2.gz FGYNFNVRXGIYKJ-LJQANCHMSA-N 0 0 320.367 4.351 50 0 DIAARN Cc1cc(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)c(C)s1 ZINC000008082967 563410851 /nfs/dbraw/zinc/41/08/51/563410851.db2.gz LIQBWPOBYTWONU-UHFFFAOYSA-N 0 0 319.401 4.414 50 0 DIAARN CCc1n[nH]cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000032913260 563411365 /nfs/dbraw/zinc/41/13/65/563411365.db2.gz MVUVZTMUCRTQML-UHFFFAOYSA-N 0 0 307.353 4.017 50 0 DIAARN C[C@H](Oc1ccccc1)C(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000032915468 563411992 /nfs/dbraw/zinc/41/19/92/563411992.db2.gz XMWGLDNUTFJVFH-XJKSGUPXSA-N 0 0 317.454 4.419 50 0 DIAARN Cc1ccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c(C)c1 ZINC000032931081 563414156 /nfs/dbraw/zinc/41/41/56/563414156.db2.gz ZSMCHCKNUZVIMJ-CYBMUJFWSA-N 0 0 319.351 4.396 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 ZINC000032930805 563414177 /nfs/dbraw/zinc/41/41/77/563414177.db2.gz XKGDYUVJSFHEOB-UHFFFAOYSA-N 0 0 319.364 4.084 50 0 DIAARN CSc1ccc([C@@H]2SCC(=O)N2C2CCCCC2)cc1 ZINC000000423950 563414273 /nfs/dbraw/zinc/41/42/73/563414273.db2.gz FDCCHYMLDQRTSW-INIZCTEOSA-N 0 0 307.484 4.315 50 0 DIAARN Cc1ccccc1Nc1nnc(Nc2ccc(F)cc2)s1 ZINC000032934977 563414870 /nfs/dbraw/zinc/41/48/70/563414870.db2.gz SHVHEQAVTAAIBH-UHFFFAOYSA-N 0 0 300.362 4.473 50 0 DIAARN CCOc1ccccc1NC(=O)c1cccnc1SC(C)C ZINC000032933507 563414984 /nfs/dbraw/zinc/41/49/84/563414984.db2.gz FGADNBHBUXTQEQ-UHFFFAOYSA-N 0 0 316.426 4.233 50 0 DIAARN O=C(Nc1ccc2ncccc2c1)c1cc2c(cccc2F)[nH]1 ZINC000072010317 563417433 /nfs/dbraw/zinc/41/74/33/563417433.db2.gz OKYUHILYLWXRDF-UHFFFAOYSA-N 0 0 305.312 4.108 50 0 DIAARN CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000020538240 563417724 /nfs/dbraw/zinc/41/77/24/563417724.db2.gz JGRWZFQCJZXSCS-GFCCVEGCSA-N 0 0 302.349 4.107 50 0 DIAARN Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1Cl ZINC000020938735 563417853 /nfs/dbraw/zinc/41/78/53/563417853.db2.gz MOLXRKPLEDQQRY-UHFFFAOYSA-N 0 0 319.817 4.188 50 0 DIAARN CC[C@@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000010851447 563418970 /nfs/dbraw/zinc/41/89/70/563418970.db2.gz AGBZOWDZJPLHKC-CYBMUJFWSA-N 0 0 317.816 4.301 50 0 DIAARN O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(Cl)s1 ZINC000010881173 563419911 /nfs/dbraw/zinc/41/99/11/563419911.db2.gz PXSQJKULMFWRLP-UHFFFAOYSA-N 0 0 311.794 4.085 50 0 DIAARN O=C(Nc1cccc(CSc2ccccn2)c1)N1CCCC1 ZINC000069879182 563420046 /nfs/dbraw/zinc/42/00/46/563420046.db2.gz TYOXDYFYOIUDLD-UHFFFAOYSA-N 0 0 313.426 4.002 50 0 DIAARN c1nc(CN2CCSc3ccccc32)oc1-c1ccccc1 ZINC000023992186 563420925 /nfs/dbraw/zinc/42/09/25/563420925.db2.gz KHROLJNLCZFKGX-UHFFFAOYSA-N 0 0 308.406 4.454 50 0 DIAARN Cc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)n1 ZINC000024473303 563420986 /nfs/dbraw/zinc/42/09/86/563420986.db2.gz PRHPRTSAGWLTMT-UHFFFAOYSA-N 0 0 320.314 4.002 50 0 DIAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1Cc1ccco1 ZINC000025441314 563422501 /nfs/dbraw/zinc/42/25/01/563422501.db2.gz SWCPLTIWMWIHHP-SCLBCKFNSA-N 0 0 314.429 4.055 50 0 DIAARN Cc1cc(C)cc(C(=O)N2CCCCC[C@H]2c2cccn2C)c1 ZINC000025462046 563422615 /nfs/dbraw/zinc/42/26/15/563422615.db2.gz IGFKUANSXFQQBM-IBGZPJMESA-N 0 0 310.441 4.399 50 0 DIAARN CC(C)CNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000025527969 563423361 /nfs/dbraw/zinc/42/33/61/563423361.db2.gz GIDFKPNLKRXFRV-UONOGXRCSA-N 0 0 316.470 4.342 50 0 DIAARN Cc1cccc(-n2ccnc2S[C@H]2CCCCC2=O)c1C ZINC000026047264 563424294 /nfs/dbraw/zinc/42/42/94/563424294.db2.gz IDXAZFOBJQMQGC-INIZCTEOSA-N 0 0 300.427 4.093 50 0 DIAARN Cc1cccc(-n2ccnc2S[C@@H]2CCCCC2=O)c1C ZINC000026047260 563424584 /nfs/dbraw/zinc/42/45/84/563424584.db2.gz IDXAZFOBJQMQGC-MRXNPFEDSA-N 0 0 300.427 4.093 50 0 DIAARN CN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026291287 563425229 /nfs/dbraw/zinc/42/52/29/563425229.db2.gz HAVKGQDXEDVJND-QWRGUYRKSA-N 0 0 320.380 4.011 50 0 DIAARN COc1ccccc1CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000011002773 563425320 /nfs/dbraw/zinc/42/53/20/563425320.db2.gz CGYRVKVZKOYKBD-UHFFFAOYSA-N 0 0 317.388 4.128 50 0 DIAARN COc1ccc(-c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000026424359 563425994 /nfs/dbraw/zinc/42/59/94/563425994.db2.gz HQXQMDGUTNIDRZ-UHFFFAOYSA-N 0 0 300.358 4.350 50 0 DIAARN C[C@H](Sc1ncc2ccccn21)C(=O)c1ccc2c(c1)CCC2 ZINC000026371393 563426047 /nfs/dbraw/zinc/42/60/47/563426047.db2.gz BKUGYLVDRLFBFL-ZDUSSCGKSA-N 0 0 322.433 4.187 50 0 DIAARN CCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)C)cc1 ZINC000026394044 563426059 /nfs/dbraw/zinc/42/60/59/563426059.db2.gz CYRIGYXMXQNIKU-GOSISDBHSA-N 0 0 316.470 4.070 50 0 DIAARN COc1cc(COC(=O)CCCCCCC(C)C)ccc1O ZINC000013481841 563427533 /nfs/dbraw/zinc/42/75/33/563427533.db2.gz RBCYRZPENADQGZ-UHFFFAOYSA-N 0 0 308.418 4.441 50 0 endogenous,in-man DIAARN C[C@@H]1C[C@H]1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000027386610 563427780 /nfs/dbraw/zinc/42/77/80/563427780.db2.gz KJYHOOMZMJIDSX-BDJLRTHQSA-N 0 0 314.768 4.132 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1C ZINC000027580190 563428227 /nfs/dbraw/zinc/42/82/27/563428227.db2.gz DXNUXVQMHXJQQL-UHFFFAOYSA-N 0 0 320.392 4.231 50 0 DIAARN Cc1nsc(NC(=O)c2sc3cc(C)ccc3c2Cl)n1 ZINC000027745262 563429486 /nfs/dbraw/zinc/42/94/86/563429486.db2.gz MLAQOFNCNZTILC-UHFFFAOYSA-N 0 0 323.830 4.275 50 0 DIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000027794548 563430082 /nfs/dbraw/zinc/43/00/82/563430082.db2.gz ZCFVFAOCFAXRCT-JTQLQIEISA-N 0 0 324.380 4.415 50 0 DIAARN CCCc1noc([C@H](C)Sc2nc3cc(C)ccc3[nH]2)n1 ZINC000027774562 563430266 /nfs/dbraw/zinc/43/02/66/563430266.db2.gz DBCKYZPCBZXTKL-JTQLQIEISA-N 0 0 302.403 4.060 50 0 DIAARN O=C(NC1CCCCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000028274749 563430530 /nfs/dbraw/zinc/43/05/30/563430530.db2.gz WCIJAUIALCSFQA-UHFFFAOYSA-N 0 0 323.440 4.202 50 0 DIAARN COC(=O)c1ccc(CSc2nc3ccccc3nc2C)cc1 ZINC000028191743 563430888 /nfs/dbraw/zinc/43/08/88/563430888.db2.gz ZMQAWNJCWKPPQH-UHFFFAOYSA-N 0 0 324.405 4.017 50 0 DIAARN Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccco3)n2c1 ZINC000028225400 563431019 /nfs/dbraw/zinc/43/10/19/563431019.db2.gz YKLYZCCMJGDZJH-UHFFFAOYSA-N 0 0 323.377 4.217 50 0 DIAARN O=C(c1ccc(F)cc1)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292134 563431349 /nfs/dbraw/zinc/43/13/49/563431349.db2.gz MQCUYWUVIJIDPF-UHFFFAOYSA-N 0 0 324.330 4.207 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)COc2ccc(C(C)C)cc2)cc1 ZINC000028290930 563431546 /nfs/dbraw/zinc/43/15/46/563431546.db2.gz KAODHJNSHNNNTP-INIZCTEOSA-N 0 0 311.425 4.316 50 0 DIAARN C[C@@H](NC(=O)NCc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000028409678 563431663 /nfs/dbraw/zinc/43/16/63/563431663.db2.gz YMCGBRUZBBNJDA-SECBINFHSA-N 0 0 312.797 4.101 50 0 DIAARN CCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000028287328 563431667 /nfs/dbraw/zinc/43/16/67/563431667.db2.gz KYLDLUKRFUOWRR-UHFFFAOYSA-N 0 0 306.365 4.465 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc2c3c(cccc31)CC2 ZINC000028651947 563432100 /nfs/dbraw/zinc/43/21/00/563432100.db2.gz FOKKVNJUDNEHHD-KDOFPFPSSA-N 0 0 322.452 4.045 50 0 DIAARN O=C(Nc1ccccc1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000029507180 563434885 /nfs/dbraw/zinc/43/48/85/563434885.db2.gz XOVVUSJUTSDXIX-UHFFFAOYSA-N 0 0 319.335 4.309 50 0 DIAARN CC[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000029808635 563435820 /nfs/dbraw/zinc/43/58/20/563435820.db2.gz NCSHQSMFPFITGX-CQSZACIVSA-N 0 0 311.429 4.210 50 0 DIAARN CCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000030031387 563436138 /nfs/dbraw/zinc/43/61/38/563436138.db2.gz YXZDRNAGBYAKOB-UHFFFAOYSA-N 0 0 305.381 4.200 50 0 DIAARN Clc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)ccn1 ZINC000030447290 563436681 /nfs/dbraw/zinc/43/66/81/563436681.db2.gz OAXSAOGOLFKMGM-UHFFFAOYSA-N 0 0 316.769 4.254 50 0 DIAARN C[C@H](NC(=O)Cc1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000030116369 563436939 /nfs/dbraw/zinc/43/69/39/563436939.db2.gz DZXXBFJJIOXPBU-JTQLQIEISA-N 0 0 313.344 4.187 50 0 DIAARN CC(C)OCc1ccccc1CNC(=O)c1cc2ccccc2[nH]1 ZINC000030369236 563436956 /nfs/dbraw/zinc/43/69/56/563436956.db2.gz ZXYKWZAULWJTMU-UHFFFAOYSA-N 0 0 322.408 4.023 50 0 DIAARN Cc1ccc(F)cc1NC(=O)CNc1cccc2c1CCCC2 ZINC000030289753 563437097 /nfs/dbraw/zinc/43/70/97/563437097.db2.gz JIJITQNKHLDZAQ-UHFFFAOYSA-N 0 0 312.388 4.064 50 0 DIAARN O=C(CCC1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000030678599 563437256 /nfs/dbraw/zinc/43/72/56/563437256.db2.gz UCXPQFKZNUFEJU-UHFFFAOYSA-N 0 0 303.402 4.147 50 0 DIAARN 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320.458 4.052 50 0 DIAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C1CCCC1 ZINC000034794222 563451437 /nfs/dbraw/zinc/45/14/37/563451437.db2.gz PPBIMOZJDFNHSV-UHFFFAOYSA-N 0 0 303.793 4.167 50 0 DIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CCCCC1 ZINC000035476309 563452790 /nfs/dbraw/zinc/45/27/90/563452790.db2.gz OPLQXMRMBNUOGQ-UHFFFAOYSA-N 0 0 306.413 4.003 50 0 DIAARN O=c1oc(-c2ccc(Cl)cc2Cl)nc2cccc(F)c12 ZINC000035606082 563453348 /nfs/dbraw/zinc/45/33/48/563453348.db2.gz XJCJDSLNPPTAGG-UHFFFAOYSA-N 0 0 310.111 4.301 50 0 DIAARN CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@@H]2[C@@H]1c1ccco1 ZINC000036049200 563454763 /nfs/dbraw/zinc/45/47/63/563454763.db2.gz XCUSOXGYBWDEPN-HNMYEQAXSA-N 0 0 324.380 4.262 50 0 DIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000036620340 563455206 /nfs/dbraw/zinc/45/52/06/563455206.db2.gz MDOGLEZBQQXQCL-FQEVSTJZSA-N 0 0 323.436 4.300 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000036620751 563455881 /nfs/dbraw/zinc/45/58/81/563455881.db2.gz 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/nfs/dbraw/zinc/49/78/65/563497865.db2.gz ILDPSCZYACCBEL-UHFFFAOYSA-N 0 0 304.393 4.288 50 0 DIAARN COc1cc(C)ccc1OC(=O)c1cc2ccc(C)cc2nc1C ZINC000033153392 563497879 /nfs/dbraw/zinc/49/78/79/563497879.db2.gz GCOQMOATMBJIFM-UHFFFAOYSA-N 0 0 321.376 4.388 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1c(F)cccc1Cl ZINC000071279373 563498568 /nfs/dbraw/zinc/49/85/68/563498568.db2.gz NLUOSNBNZCHZPM-VIFPVBQESA-N 0 0 307.756 4.380 50 0 DIAARN Fc1ccc(-c2cnn3c2nccc3-c2ccc(F)cc2)cc1 ZINC000071385235 563499194 /nfs/dbraw/zinc/49/91/94/563499194.db2.gz VDCCANJRYGITND-UHFFFAOYSA-N 0 0 307.303 4.342 50 0 DIAARN CCOc1ccc(-c2nccn2Cc2cccc3[nH]ccc32)cc1 ZINC000071498111 563499800 /nfs/dbraw/zinc/49/98/00/563499800.db2.gz QLPWGEYEOPIMHF-UHFFFAOYSA-N 0 0 317.392 4.478 50 0 DIAARN Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1 ZINC000071405226 563499974 /nfs/dbraw/zinc/49/99/74/563499974.db2.gz OZOOXPNVZMNYRA-UHFFFAOYSA-N 0 0 319.408 4.114 50 0 DIAARN CCc1cccc(C)c1Nc1nc(N)c(C(=O)C(C)C)s1 ZINC000033251676 563502084 /nfs/dbraw/zinc/50/20/84/563502084.db2.gz XKISSASUJRNHBN-UHFFFAOYSA-N 0 0 303.431 4.178 50 0 DIAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)no1 ZINC000033257264 563502571 /nfs/dbraw/zinc/50/25/71/563502571.db2.gz FUHNOQQCTACNDQ-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)o1 ZINC000097147910 563506723 /nfs/dbraw/zinc/50/67/23/563506723.db2.gz BQOYGBSKNFVJQO-OAHLLOKOSA-N 0 0 319.788 4.057 50 0 DIAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)[C@H]1CCCO1 ZINC000000035711 563507091 /nfs/dbraw/zinc/50/70/91/563507091.db2.gz PBGURQHFCPVZKE-MRXNPFEDSA-N 0 0 324.405 4.081 50 0 DIAARN COc1ccnc(CSCc2nc(-c3ccco3)oc2C)c1 ZINC000097161786 563507483 /nfs/dbraw/zinc/50/74/83/563507483.db2.gz QNFMMMJRZZIYPF-UHFFFAOYSA-N 0 0 316.382 4.080 50 0 DIAARN COC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1 ZINC000000036658 563507556 /nfs/dbraw/zinc/50/75/56/563507556.db2.gz LZSQQWLNWAMWTO-UHFFFAOYSA-N 0 0 311.406 4.425 50 0 DIAARN Cc1cc(O[C@H](C)C(=O)N2CCc3ccccc32)ccc1Cl ZINC000000036208 563507584 /nfs/dbraw/zinc/50/75/84/563507584.db2.gz YTGVYIMPJLBUEH-CYBMUJFWSA-N 0 0 315.800 4.005 50 0 DIAARN c1cn(CCCc2nc3ccccc3s2)c(-c2cccnc2)n1 ZINC000077337608 563509488 /nfs/dbraw/zinc/50/94/88/563509488.db2.gz OCMRIOCKEXNRPV-UHFFFAOYSA-N 0 0 320.421 4.188 50 0 DIAARN Cc1cccc(-c2nccn2CCc2csc(C(C)C)n2)n1 ZINC000077440895 563510697 /nfs/dbraw/zinc/51/06/97/563510697.db2.gz QTMBBCFHLHWKNI-UHFFFAOYSA-N 0 0 312.442 4.076 50 0 DIAARN Cc1c[nH]c(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c1 ZINC000077555481 563512082 /nfs/dbraw/zinc/51/20/82/563512082.db2.gz IONBXEYQKSNDCO-UHFFFAOYSA-N 0 0 320.392 4.388 50 0 DIAARN Clc1cccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)c1 ZINC000023125436 563513887 /nfs/dbraw/zinc/51/38/87/563513887.db2.gz ZJCRUYNJXAZYTN-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN C[C@@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 ZINC000011251217 563514537 /nfs/dbraw/zinc/51/45/37/563514537.db2.gz MGRUUSLZEFCCRD-LLVKDONJSA-N 0 0 312.866 4.055 50 0 DIAARN CCC(=C/c1ccccc1)/C=C1\N=C(c2cccs2)OC1=O ZINC000033299870 563519203 /nfs/dbraw/zinc/51/92/03/563519203.db2.gz NXMUPYZQTPXALK-LJACRCCUSA-N 0 0 309.390 4.429 50 0 DIAARN CC[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000011309233 563519223 /nfs/dbraw/zinc/51/92/23/563519223.db2.gz HZCWDSWWDNXHOT-GOSISDBHSA-N 0 0 322.408 4.167 50 0 DIAARN Cc1ccc(C)c(N2C(=O)C[C@@H](Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000084460319 563519689 /nfs/dbraw/zinc/51/96/89/563519689.db2.gz JMIBHLWQHPXEQE-GOSISDBHSA-N 0 0 321.420 4.042 50 0 DIAARN O=C(COC1CCCCC1)Nc1ccc(-c2nccs2)cc1 ZINC000084421785 563519734 /nfs/dbraw/zinc/51/97/34/563519734.db2.gz UGUTUVFJBBHFFC-UHFFFAOYSA-N 0 0 316.426 4.098 50 0 DIAARN Cc1cc(Br)c(NC(=O)OC(C)(C)C)cc1C ZINC000085220985 563520385 /nfs/dbraw/zinc/52/03/85/563520385.db2.gz FTBABQLHJLHLRN-UHFFFAOYSA-N 0 0 300.196 4.413 50 0 DIAARN CC1=C(C)C[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2C1 ZINC000085584335 563521278 /nfs/dbraw/zinc/52/12/78/563521278.db2.gz MVJCOBAKVGPFHX-QZTJIDSGSA-N 0 0 305.377 4.076 50 0 DIAARN Clc1ccc(Cl)c(Cn2ccc3c2ncnc3Cl)c1 ZINC000086012871 563521829 /nfs/dbraw/zinc/52/18/29/563521829.db2.gz JFSOMFBVAWTYKL-UHFFFAOYSA-N 0 0 312.587 4.440 50 0 DIAARN CCc1cccc(N[C@H](C(=O)N(CC)CC)c2ccccc2)c1 ZINC000098081199 563524005 /nfs/dbraw/zinc/52/40/05/563524005.db2.gz XCURPJFTCLPPHN-IBGZPJMESA-N 0 0 310.441 4.271 50 0 DIAARN Clc1ccc2nc(CSc3nc4ccccc4[nH]3)cn2c1 ZINC000000083749 563525015 /nfs/dbraw/zinc/52/50/15/563525015.db2.gz HRGBNBXWCILYTO-UHFFFAOYSA-N 0 0 314.801 4.156 50 0 DIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(F)ccc1C)C2 ZINC000011425938 563526465 /nfs/dbraw/zinc/52/64/65/563526465.db2.gz ITJBAJCOWPAUGM-MRXNPFEDSA-N 0 0 301.386 4.098 50 0 DIAARN Nc1cc(Cl)c(Br)cc1OCc1ccccc1 ZINC000095217818 563528873 /nfs/dbraw/zinc/52/88/73/563528873.db2.gz TWWVPGMOMPSJSI-UHFFFAOYSA-N 0 0 312.594 4.264 50 0 DIAARN Fc1cccc([C@H](NCc2ccccc2)C(F)(F)F)c1F ZINC000095347733 563528893 /nfs/dbraw/zinc/52/88/93/563528893.db2.gz QBQRCPAYNRTITP-AWEZNQCLSA-N 0 0 301.258 4.358 50 0 DIAARN c1ccc(Oc2cccc(-c3nc([C@H]4CCOC4)no3)c2)cc1 ZINC000096131406 563533425 /nfs/dbraw/zinc/53/34/25/563533425.db2.gz ZWPAHCNZCHDNKE-AWEZNQCLSA-N 0 0 308.337 4.033 50 0 DIAARN Cc1ccc(Cl)c(NC(=O)N2CCC3(CCOCC3)CC2)c1 ZINC000096142031 563534208 /nfs/dbraw/zinc/53/42/08/563534208.db2.gz KGWCFBSFVKDLLA-UHFFFAOYSA-N 0 0 322.836 4.073 50 0 DIAARN CSCc1ccc(-c2nc(-c3ccncc3)nn2C(C)C)o1 ZINC000096141548 563534227 /nfs/dbraw/zinc/53/42/27/563534227.db2.gz QEOJHVTYNJANTC-UHFFFAOYSA-N 0 0 314.414 4.044 50 0 DIAARN CN(Cc1cc(-c2ccccn2)no1)Cc1cc2ccccc2o1 ZINC000097360102 563538399 /nfs/dbraw/zinc/53/83/99/563538399.db2.gz MZMDGDHEZPNAQV-UHFFFAOYSA-N 0 0 319.364 4.115 50 0 DIAARN CC(C)c1nc(CN2CC[C@@H](c3ccccc3Cl)C2)co1 ZINC000097288795 563538477 /nfs/dbraw/zinc/53/84/77/563538477.db2.gz YNWMFEMHNHUEIO-CYBMUJFWSA-N 0 0 304.821 4.441 50 0 DIAARN O=C(Nc1ncc(-c2ccccc2)o1)OC(Cl)(Cl)Cl ZINC000097743326 563542012 /nfs/dbraw/zinc/54/20/12/563542012.db2.gz CXRCIQYWEPSIRA-UHFFFAOYSA-N 0 0 321.547 4.218 50 0 DIAARN CN(Cc1cc(C2CC2)on1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000097813896 563542365 /nfs/dbraw/zinc/54/23/65/563542365.db2.gz ODRZLRVUDUBFLU-HNNXBMFYSA-N 0 0 318.442 4.097 50 0 DIAARN C[C@H](c1ccc(Cl)cc1)N(C(=O)C1=CCCCO1)C1CC1 ZINC000072997108 563543853 /nfs/dbraw/zinc/54/38/53/563543853.db2.gz ILDBEKHHHSZISD-GFCCVEGCSA-N 0 0 305.805 4.086 50 0 DIAARN CCOC(=O)c1sc(-c2ncccc2C)nc1-c1ccccc1 ZINC000098071518 563544100 /nfs/dbraw/zinc/54/41/00/563544100.db2.gz FXNMQUFWIAQVQJ-UHFFFAOYSA-N 0 0 324.405 4.357 50 0 DIAARN O=C1CCCC(=O)C1[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100816113 563553898 /nfs/dbraw/zinc/55/38/98/563553898.db2.gz VONJHGSHHLLWKN-GOSISDBHSA-N 0 0 310.324 4.002 50 0 DIAARN CC(C)Oc1ccc(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101014471 563555565 /nfs/dbraw/zinc/55/55/65/563555565.db2.gz JVBFWHKMGMZHAG-INIZCTEOSA-N 0 0 315.800 4.406 50 0 DIAARN CC(=O)C[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 ZINC000102278022 563558940 /nfs/dbraw/zinc/55/89/40/563558940.db2.gz SCJOTLHZVRYEBY-KUFHYKGKSA-N 0 0 310.353 4.001 50 0 DIAARN Cc1ccc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)cc1 ZINC000257173533 563567729 /nfs/dbraw/zinc/56/77/29/563567729.db2.gz PXSGZKOUZHZHNR-OAHLLOKOSA-N 0 0 305.381 4.058 50 0 DIAARN Cc1cc(Nc2ncnc3ccccc32)ccc1Br ZINC000000104655 563569600 /nfs/dbraw/zinc/56/96/00/563569600.db2.gz FMMITHNLRZRVCC-UHFFFAOYSA-N 0 0 314.186 4.444 50 0 DIAARN Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)cs2)cc1 ZINC000000104244 563569699 /nfs/dbraw/zinc/56/96/99/563569699.db2.gz NACVYOGUBUVWCR-UHFFFAOYSA-N 0 0 322.433 4.091 50 0 DIAARN c1csc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)c1 ZINC000000104129 563569756 /nfs/dbraw/zinc/56/97/56/563569756.db2.gz RAUQMAQCPBGXCF-UHFFFAOYSA-N 0 0 307.422 4.499 50 0 biogenic DIAARN CN(c1ncnc2sc3c(c21)CCCC3)C1CCCCC1 ZINC000000109628 563570369 /nfs/dbraw/zinc/57/03/69/563570369.db2.gz FCYIUNCIYLCWBL-UHFFFAOYSA-N 0 0 301.459 4.339 50 0 DIAARN COCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000000118504 563571023 /nfs/dbraw/zinc/57/10/23/563571023.db2.gz SVSLQQZCADNSBG-UHFFFAOYSA-N 0 0 318.376 4.372 50 0 DIAARN Cc1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000000130069 563571767 /nfs/dbraw/zinc/57/17/67/563571767.db2.gz JZTYFQXKMKECHG-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN CCN(CC)C(=O)c1cccnc1Oc1ccc(Cl)cc1 ZINC000000127908 563571835 /nfs/dbraw/zinc/57/18/35/563571835.db2.gz UWEUICOCUQYYRX-UHFFFAOYSA-N 0 0 304.777 4.009 50 0 DIAARN C[C@@H]1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 ZINC000000175168 563574619 /nfs/dbraw/zinc/57/46/19/563574619.db2.gz WUJMHXOCNPCCRH-SECBINFHSA-N 0 0 306.818 4.174 50 0 DIAARN O=C1OC(c2ccccc2Cl)=N/C1=C\C=C\c1ccccc1 ZINC000000177051 563575100 /nfs/dbraw/zinc/57/51/00/563575100.db2.gz ABPUTYYWMHMIBI-FLIHGVEMSA-N 0 0 309.752 4.241 50 0 DIAARN COC(=O)c1cnc(Nc2cc(C)ccc2OC)c2ccccc12 ZINC000000176033 563575303 /nfs/dbraw/zinc/57/53/03/563575303.db2.gz VNAVOSKYUXCQGG-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1 ZINC000000185800 563576023 /nfs/dbraw/zinc/57/60/23/563576023.db2.gz RGAPNWPSQQRTQO-UHFFFAOYSA-N 0 0 318.398 4.166 50 0 DIAARN CC(C)c1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000000187532 563576117 /nfs/dbraw/zinc/57/61/17/563576117.db2.gz NDVHAFJXHKKUHS-UHFFFAOYSA-N 0 0 316.213 4.221 50 0 DIAARN CCCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000000189450 563576659 /nfs/dbraw/zinc/57/66/59/563576659.db2.gz QWIXVPSLMKZAOW-UHFFFAOYSA-N 0 0 321.833 4.011 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000000204687 563578066 /nfs/dbraw/zinc/57/80/66/563578066.db2.gz HOKFKMHIQFUIRD-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN C[C@H]1CC2(C)C[C@H](C)C1(COC(=O)Nc1ccccc1)CO2 ZINC000000215131 563578597 /nfs/dbraw/zinc/57/85/97/563578597.db2.gz SDCHRXKTPFRXAD-DIOPXHOYSA-N 0 0 303.402 4.076 50 0 biogenic DIAARN CC(=O)Oc1c(Sc2ccccc2)c(C)nn1C(C)(C)C ZINC000000212753 563578705 /nfs/dbraw/zinc/57/87/05/563578705.db2.gz RFYHZROXWJZNCD-UHFFFAOYSA-N 0 0 304.415 4.023 50 0 DIAARN Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000000222832 563579026 /nfs/dbraw/zinc/57/90/26/563579026.db2.gz FMLDXYVQALNHEZ-IRXDYDNUSA-N 0 0 324.815 4.386 50 0 DIAARN Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000000222831 563579075 /nfs/dbraw/zinc/57/90/75/563579075.db2.gz FMLDXYVQALNHEZ-DLBZAZTESA-N 0 0 324.815 4.386 50 0 DIAARN COc1cccc2c1OC(C)(C)N1N=C(c3cccs3)C[C@H]21 ZINC000000221402 563579386 /nfs/dbraw/zinc/57/93/86/563579386.db2.gz PBHBGCGQAYFOHD-CYBMUJFWSA-N 0 0 314.410 4.036 50 0 DIAARN O=C(CCn1c2ccccc2oc1=S)NC1CCCCCC1 ZINC000000224667 563579950 /nfs/dbraw/zinc/57/99/50/563579950.db2.gz IBWZSTQHBUKDHU-UHFFFAOYSA-N 0 0 318.442 4.193 50 0 biogenic DIAARN COc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C ZINC000000235639 563580459 /nfs/dbraw/zinc/58/04/59/563580459.db2.gz AOSSPNVRJMKJNR-FQEVSTJZSA-N 0 0 307.393 4.225 50 0 DIAARN O=C(Nc1nc(=S)ss1)c1ccc(Cl)cc1Cl ZINC000000238394 563580650 /nfs/dbraw/zinc/58/06/50/563580650.db2.gz FZUXLTALLYHROF-UHFFFAOYSA-N 0 0 323.251 4.493 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)C1(C)C ZINC000247876418 563581891 /nfs/dbraw/zinc/58/18/91/563581891.db2.gz OVIPLKUVHGORGE-RFQIPJPRSA-N 0 0 317.395 4.462 50 0 DIAARN COC(=O)CCC(=O)c1cc(C(C)(C)C)sc1C(C)(C)C ZINC000000251232 563582447 /nfs/dbraw/zinc/58/24/47/563582447.db2.gz FXXNYMXQPLYZMZ-UHFFFAOYSA-N 0 0 310.459 4.479 50 0 DIAARN CCc1ccccc1NC(=S)N1CC[C@@H](c2ccccc2)C1 ZINC000000263661 563583570 /nfs/dbraw/zinc/58/35/70/563583570.db2.gz PBJUZBZQMFKVCG-QGZVFWFLSA-N 0 0 310.466 4.435 50 0 DIAARN Nc1cc(-c2ccc(Br)cc2)nn1C1CCCCC1 ZINC000000267518 563584295 /nfs/dbraw/zinc/58/42/95/563584295.db2.gz YRQJCJHCCABDSG-UHFFFAOYSA-N 0 0 320.234 4.400 50 0 DIAARN O=C(Nc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000000305018 563586832 /nfs/dbraw/zinc/58/68/32/563586832.db2.gz LBFUDRGKCDTPGB-UHFFFAOYSA-N 0 0 303.365 4.316 50 0 DIAARN COc1ccc(N[P@@](C)(=O)Oc2ccccc2OC)cc1 ZINC000000326131 563588802 /nfs/dbraw/zinc/58/88/02/563588802.db2.gz ZJCNBWBCHYCDPG-NRFANRHFSA-N 0 0 307.286 4.018 50 0 DIAARN Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)(C)C=C3 ZINC000000347950 563589470 /nfs/dbraw/zinc/58/94/70/563589470.db2.gz PHOMDVJSRNFSJO-UHFFFAOYSA-N 0 0 324.376 4.470 50 0 DIAARN O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccccc2)n1 ZINC000000354182 563590031 /nfs/dbraw/zinc/59/00/31/563590031.db2.gz DJKJVBXUPKIHNR-UHFFFAOYSA-N 0 0 321.357 4.289 50 0 DIAARN Cc1ccc(-n2cnc3cc(NC(=O)c4ccco4)ccc32)cc1 ZINC000000350241 563590195 /nfs/dbraw/zinc/59/01/95/563590195.db2.gz BXWSVCXHJSYUOX-UHFFFAOYSA-N 0 0 317.348 4.179 50 0 DIAARN CCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000000367083 563590686 /nfs/dbraw/zinc/59/06/86/563590686.db2.gz QXFRVPSPNKYJDB-UHFFFAOYSA-N 0 0 323.436 4.327 50 0 DIAARN CO/C=C(/Oc1ccccc1C)C(=O)Nc1ccccc1Cl ZINC000000366704 563590714 /nfs/dbraw/zinc/59/07/14/563590714.db2.gz LIHNXVURPJJHND-LFIBNONCSA-N 0 0 317.772 4.154 50 0 DIAARN CCC(C)(C)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000000372141 563591221 /nfs/dbraw/zinc/59/12/21/563591221.db2.gz VEQNTERMQHVALX-UHFFFAOYSA-N 0 0 309.822 4.131 50 0 DIAARN Cc1ccccc1S(=O)(=O)Nc1c(Cl)cccc1Cl ZINC000000383760 563591922 /nfs/dbraw/zinc/59/19/22/563591922.db2.gz RWIDXKVHTSVQSO-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)c1ccncc1Cl ZINC000073096299 563598645 /nfs/dbraw/zinc/59/86/45/563598645.db2.gz GKLFTYZNFHOOAR-MRXNPFEDSA-N 0 0 316.832 4.122 50 0 DIAARN CC[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000011738586 563598938 /nfs/dbraw/zinc/59/89/38/563598938.db2.gz AHNJBKFZKMWBKC-OAHLLOKOSA-N 0 0 309.743 4.499 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccc(C)c(C)c2)no1 ZINC000248116172 563600468 /nfs/dbraw/zinc/60/04/68/563600468.db2.gz VFZMRIQZNKUHAW-LNLFQRSKSA-N 0 0 324.424 4.067 50 0 DIAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000011865915 563600663 /nfs/dbraw/zinc/60/06/63/563600663.db2.gz RGGXXETZDBPJJN-UHFFFAOYSA-N 0 0 317.801 4.148 50 0 DIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccncc2)cc1C ZINC000248119780 563600671 /nfs/dbraw/zinc/60/06/71/563600671.db2.gz XCJJLNQNSBDVRO-ZCNNSNEGSA-N 0 0 320.436 4.166 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000011899233 563601012 /nfs/dbraw/zinc/60/10/12/563601012.db2.gz YKKBAAWLZHAZIO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/66/15/59/563661559.db2.gz JOJQCPABZNXZDL-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN CCSc1nc(CC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000000523481 563664533 /nfs/dbraw/zinc/66/45/33/563664533.db2.gz YRSXCYCILSDTJT-UHFFFAOYSA-N 0 0 308.472 4.217 50 0 DIAARN Cc1ccc(-c2nnc3sc(-c4ccccc4C)nn32)cc1 ZINC000000533316 563666822 /nfs/dbraw/zinc/66/68/22/563666822.db2.gz NPZABHSHHYBBIT-UHFFFAOYSA-N 0 0 306.394 4.137 50 0 DIAARN CCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 ZINC000000533866 563666891 /nfs/dbraw/zinc/66/68/91/563666891.db2.gz FFNDQAITXYXHQB-UHFFFAOYSA-N 0 0 318.380 4.065 50 0 DIAARN CC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000014379169 563667048 /nfs/dbraw/zinc/66/70/48/563667048.db2.gz YOCXGXKNUCFWNY-UHFFFAOYSA-N 0 0 313.422 4.472 50 0 DIAARN O=C(NCC[C@H](c1ccco1)c1ccccc1)c1cccs1 ZINC000000536321 563667277 /nfs/dbraw/zinc/66/72/77/563667277.db2.gz NHRHDXBPINCSKX-HNNXBMFYSA-N 0 0 311.406 4.293 50 0 DIAARN CC(=O)Nc1ccc(N2COc3ccc(C(C)(C)C)cc3C2)cc1 ZINC000000539502 563667646 /nfs/dbraw/zinc/66/76/46/563667646.db2.gz WBIMEHISZVMSSB-UHFFFAOYSA-N 0 0 324.424 4.299 50 0 DIAARN CC1(C)CCCN(c2ncnc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000000548795 563669859 /nfs/dbraw/zinc/66/98/59/563669859.db2.gz PHHZJGYURAGZMM-UHFFFAOYSA-N 0 0 314.820 4.391 50 0 DIAARN COc1ccccc1Nc1ncnc2sc3c(c21)CCCC3 ZINC000000553634 563670471 /nfs/dbraw/zinc/67/04/71/563670471.db2.gz WUAWSMBMILRPJC-UHFFFAOYSA-N 0 0 311.410 4.322 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000103723887 563670504 /nfs/dbraw/zinc/67/05/04/563670504.db2.gz VYGJXVLRKDUKBF-UHFFFAOYSA-N 0 0 323.371 4.135 50 0 DIAARN CC(=O)c1ccc(OCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000000564464 563670697 /nfs/dbraw/zinc/67/06/97/563670697.db2.gz PDMREHNSCHKFFQ-UHFFFAOYSA-N 0 0 308.377 4.030 50 0 DIAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2n1 ZINC000014423328 563671429 /nfs/dbraw/zinc/67/14/29/563671429.db2.gz CRKIVNXKVIRPMJ-UHFFFAOYSA-N 0 0 302.377 4.136 50 0 DIAARN Cc1cccc2sc(NC(=O)c3c(F)cccc3F)nc21 ZINC000000567768 563671458 /nfs/dbraw/zinc/67/14/58/563671458.db2.gz HDYARTHIXWDDET-UHFFFAOYSA-N 0 0 304.321 4.135 50 0 DIAARN CCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000000572623 563673563 /nfs/dbraw/zinc/67/35/63/563673563.db2.gz LZUXQFBMLJPSDL-UHFFFAOYSA-N 0 0 301.187 4.486 50 0 DIAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 ZINC000005726157 563674187 /nfs/dbraw/zinc/67/41/87/563674187.db2.gz XSAPESXNOAGCIE-CQSZACIVSA-N 0 0 304.802 4.099 50 0 DIAARN COC(=O)c1c(NCc2ccccc2C)onc1-c1ccccc1 ZINC000046916056 563677847 /nfs/dbraw/zinc/67/78/47/563677847.db2.gz FPGOBSAGIFGPBR-UHFFFAOYSA-N 0 0 322.364 4.049 50 0 DIAARN Cc1ccccc1-c1cc(-c2nc(-c3ccc(F)cc3)no2)n[nH]1 ZINC000046914414 563677971 /nfs/dbraw/zinc/67/79/71/563677971.db2.gz IPHVXCNBTAMZQY-UHFFFAOYSA-N 0 0 320.327 4.241 50 0 DIAARN Cc1ccccc1-c1cc(-c2nc(-c3ccccc3)no2)n[nH]1 ZINC000046914337 563677994 /nfs/dbraw/zinc/67/79/94/563677994.db2.gz JPTDRZGUXXELBQ-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN C[C@@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1ccccn1 ZINC000046890021 563678010 /nfs/dbraw/zinc/67/80/10/563678010.db2.gz YHDCJNUNEQNFCJ-FAEJEUNOSA-N 0 0 323.440 4.168 50 0 DIAARN CC(C)c1noc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)n1 ZINC000046820012 563678341 /nfs/dbraw/zinc/67/83/41/563678341.db2.gz QSGFMISEJMGLGZ-JTQLQIEISA-N 0 0 312.373 4.385 50 0 DIAARN Cc1cnc([C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C2CC2)s1 ZINC000110626536 563679103 /nfs/dbraw/zinc/67/91/03/563679103.db2.gz RXAYWWLQLSTREV-FUEDEBDSSA-N 0 0 302.443 4.409 50 0 DIAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccccc1 ZINC000003177817 563680400 /nfs/dbraw/zinc/68/04/00/563680400.db2.gz LCWPOWFEAIIOBY-MDZDMXLPSA-N 0 0 305.299 4.035 50 0 DIAARN CCn1c2ccccc2s/c1=N/C(=O)c1ccccc1Cl ZINC000012180869 563680773 /nfs/dbraw/zinc/68/07/73/563680773.db2.gz GSOWPDJKRGARBY-FBMGVBCBSA-N 0 0 316.813 4.117 50 0 DIAARN CSc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000044837655 563684600 /nfs/dbraw/zinc/68/46/00/563684600.db2.gz DHFSNYXWORAXGT-UHFFFAOYSA-N 0 0 323.421 4.359 50 0 DIAARN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000044874327 563685040 /nfs/dbraw/zinc/68/50/40/563685040.db2.gz FJYBPSAYQPCJKT-OLZOCXBDSA-N 0 0 311.360 4.288 50 0 DIAARN S=C(Nc1ccccc1)N1CCC(c2ccc(Cl)cc2)=N1 ZINC000044973442 563687512 /nfs/dbraw/zinc/68/75/12/563687512.db2.gz KWAAWXAAZMXFAO-UHFFFAOYSA-N 0 0 315.829 4.147 50 0 DIAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000045261995 563688892 /nfs/dbraw/zinc/68/88/92/563688892.db2.gz XRGCLFDOLKPWSI-SECBINFHSA-N 0 0 313.184 4.123 50 0 DIAARN O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccc(Cl)cc1 ZINC000045821499 563689982 /nfs/dbraw/zinc/68/99/82/563689982.db2.gz JPRJQNYCDFVFHR-KRWDZBQOSA-N 0 0 323.779 4.187 50 0 DIAARN CCCc1ccccc1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000045732751 563690158 /nfs/dbraw/zinc/69/01/58/563690158.db2.gz UQSLWJGZWALVAD-UHFFFAOYSA-N 0 0 319.408 4.136 50 0 DIAARN COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000051354447 563690907 /nfs/dbraw/zinc/69/09/07/563690907.db2.gz RUHPXRKQUFSXNR-UHFFFAOYSA-N 0 0 312.703 4.271 50 0 DIAARN COc1nc2ccccc2nc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000045967092 563691057 /nfs/dbraw/zinc/69/10/57/563691057.db2.gz GRIIBVSVYYGTEH-UHFFFAOYSA-N 0 0 321.380 4.014 50 0 DIAARN O=C(c1ccccc1F)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000046017902 563691275 /nfs/dbraw/zinc/69/12/75/563691275.db2.gz UKPJAPZXNGMTRF-INIZCTEOSA-N 0 0 303.764 4.456 50 0 DIAARN O=C(Nc1cc(F)ccc1F)Nc1cc(F)ccc1Cl ZINC000051354427 563691327 /nfs/dbraw/zinc/69/13/27/563691327.db2.gz RPTIIXRHRYAVOD-UHFFFAOYSA-N 0 0 300.667 4.401 50 0 DIAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000046018753 563691606 /nfs/dbraw/zinc/69/16/06/563691606.db2.gz WBFRASQVDMUFPU-UHFFFAOYSA-N 0 0 319.364 4.061 50 0 DIAARN O=C(c1c(F)cccc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018041 563691672 /nfs/dbraw/zinc/69/16/72/563691672.db2.gz QFAJCRGQQCMGGT-OAHLLOKOSA-N 0 0 305.299 4.081 50 0 DIAARN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(F)cc2)c1 ZINC000046018416 563691692 /nfs/dbraw/zinc/69/16/92/563691692.db2.gz YAXXLNIGAUBULU-GOSISDBHSA-N 0 0 312.388 4.181 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000046018379 563691764 /nfs/dbraw/zinc/69/17/64/563691764.db2.gz MNERYFZHHDADMV-QGZVFWFLSA-N 0 0 310.397 4.373 50 0 DIAARN O=C(c1c(F)cccc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046018085 563691818 /nfs/dbraw/zinc/69/18/18/563691818.db2.gz CCMMDRILUKKNAJ-HNNXBMFYSA-N 0 0 305.299 4.081 50 0 DIAARN COc1ccc(-c2nc(CSc3nc(C)c(C)o3)co2)cc1 ZINC000046028276 563692060 /nfs/dbraw/zinc/69/20/60/563692060.db2.gz HUEPHLMPBNEJPB-UHFFFAOYSA-N 0 0 316.382 4.247 50 0 DIAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000004429288 563692879 /nfs/dbraw/zinc/69/28/79/563692879.db2.gz NVUUMOOKVFONOM-GPBSYSOESA-N 0 0 300.442 4.333 50 0 in-vitro DIAARN O=C(CCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 ZINC000048202690 563693517 /nfs/dbraw/zinc/69/35/17/563693517.db2.gz JGVDFQWCUMFGSL-UHFFFAOYSA-N 0 0 311.385 4.178 50 0 DIAARN Cc1ccc2nc(C)c(C(=O)N3CCCc4ccccc43)cc2c1 ZINC000048300510 563695768 /nfs/dbraw/zinc/69/57/68/563695768.db2.gz HAHLBSHDJKOYHI-UHFFFAOYSA-N 0 0 316.404 4.445 50 0 DIAARN O=C(CSCc1ccccc1)N1CCC[C@@H]1c1ccccc1 ZINC000048341509 563696891 /nfs/dbraw/zinc/69/68/91/563696891.db2.gz SXDGMJRUBRCXRU-GOSISDBHSA-N 0 0 311.450 4.284 50 0 DIAARN O=C1N[C@H](c2cc(-c3ccccc3)cs2)Nc2ccccc21 ZINC000048375073 563697964 /nfs/dbraw/zinc/69/79/64/563697964.db2.gz CAAPZKTYMYJCKM-QGZVFWFLSA-N 0 0 306.390 4.269 50 0 DIAARN COc1ccc(Br)cc1NC(=O)c1ccc(C)cc1 ZINC000048444607 563698758 /nfs/dbraw/zinc/69/87/58/563698758.db2.gz WBFAFICGHYFFPO-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN COc1ccc(NC(=O)N2CCCCCC2)c(C(F)(F)F)c1 ZINC000048550233 563699175 /nfs/dbraw/zinc/69/91/75/563699175.db2.gz RFSYMNBGXRZNPN-UHFFFAOYSA-N 0 0 316.323 4.122 50 0 DIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2C1=Cc2ccccc2OC1 ZINC000049546254 563701660 /nfs/dbraw/zinc/70/16/60/563701660.db2.gz QXRBAAQHGGPWMZ-AWEZNQCLSA-N 0 0 323.396 4.189 50 0 DIAARN CCN(C/C=C/c1ccccc1)C(=O)c1ccc(COC)s1 ZINC000215287867 563704592 /nfs/dbraw/zinc/70/45/92/563704592.db2.gz SCMRGVZKUYDIRA-JXMROGBWSA-N 0 0 315.438 4.070 50 0 DIAARN CC(=O)c1cc(CN2CCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000216232822 563708033 /nfs/dbraw/zinc/70/80/33/563708033.db2.gz LFIKQTOVLHCJHF-MRXNPFEDSA-N 0 0 303.402 4.427 50 0 DIAARN CCCc1[nH+]c2c(c(C)c(C)n2Cc2ccccn2)c(N)c1CC ZINC000012325052 563713310 /nfs/dbraw/zinc/71/33/10/563713310.db2.gz DOBYMGPFTJDTAD-UHFFFAOYSA-N 0 0 322.456 4.194 50 0 DIAARN Cc1nc2sc3c(c2c(N2C[C@H](C)C[C@@H](C)C2)n1)CCCC3 ZINC000000753853 563713398 /nfs/dbraw/zinc/71/33/98/563713398.db2.gz QCJPRMJXDIUYRI-VXGBXAGGSA-N 0 0 315.486 4.361 50 0 DIAARN Clc1cccc(CN2CCN(c3ccccc3)CC2)c1Cl ZINC000055543792 563718435 /nfs/dbraw/zinc/71/84/35/563718435.db2.gz FMQVRTXNLYUIGY-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN Cc1nc2ccc(NC(=O)c3c(C)noc3C(C)C)cc2s1 ZINC000008185744 563719838 /nfs/dbraw/zinc/71/98/38/563719838.db2.gz ZYNOSYSBWJKIOI-UHFFFAOYSA-N 0 0 315.398 4.277 50 0 DIAARN Cc1nnc(CN[C@H](Cc2ccccc2)c2ccc(C)c(C)c2)o1 ZINC000390833277 563720448 /nfs/dbraw/zinc/72/04/48/563720448.db2.gz FMDVHXFCYAJDJI-LJQANCHMSA-N 0 0 321.424 4.068 50 0 DIAARN CCOc1ccccc1[C@@H]1Nc2ccccc2-c2cc(C)nn21 ZINC000000817670 563720823 /nfs/dbraw/zinc/72/08/23/563720823.db2.gz CUGBKFWHTAFDHK-LJQANCHMSA-N 0 0 305.381 4.230 50 0 DIAARN CCOCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000008327803 563721318 /nfs/dbraw/zinc/72/13/18/563721318.db2.gz QGLWCJKETMLBIV-UHFFFAOYSA-N 0 0 313.275 4.087 50 0 DIAARN O=C(/C=C/c1cc2ccccc2o1)N(Cc1cccnc1)C1CC1 ZINC000032336101 563723225 /nfs/dbraw/zinc/72/32/25/563723225.db2.gz NLOYYLHLXUVNSC-MDZDMXLPSA-N 0 0 318.376 4.032 50 0 DIAARN C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)s1 ZINC000033193457 563723936 /nfs/dbraw/zinc/72/39/36/563723936.db2.gz HPLLJVARTCVZBZ-ZETCQYMHSA-N 0 0 301.745 4.171 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc(Cl)c1 ZINC000000430873 563724203 /nfs/dbraw/zinc/72/42/03/563724203.db2.gz DWIWLBNLWZMCNL-ZROIWOOFSA-N 0 0 318.159 4.338 50 0 DIAARN Cc1ccc(CCNC(=O)[C@]2(c3cccs3)CC2(C)C)s1 ZINC000222352836 563725131 /nfs/dbraw/zinc/72/51/31/563725131.db2.gz IDWPWZLEHHFWFZ-QGZVFWFLSA-N 0 0 319.495 4.145 50 0 DIAARN Cc1cc(F)ccc1C(=O)Nc1ccc(Br)cc1 ZINC000002868922 563727277 /nfs/dbraw/zinc/72/72/77/563727277.db2.gz MVPQFCWCHYNWRC-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN COCC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 ZINC000222923228 563729374 /nfs/dbraw/zinc/72/93/74/563729374.db2.gz VCMDUKVJMKIJAD-GOSISDBHSA-N 0 0 323.436 4.385 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)Nc1cnc2ccccc2c1 ZINC000025999380 563731199 /nfs/dbraw/zinc/73/11/99/563731199.db2.gz HNVIVHLARNRGBP-UHFFFAOYSA-N 0 0 315.376 4.287 50 0 DIAARN CSc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000223633850 563735187 /nfs/dbraw/zinc/73/51/87/563735187.db2.gz JNNINDDKFMLONO-INIZCTEOSA-N 0 0 301.386 4.135 50 0 DIAARN CCC(C)(C)C1CCC(NC(=O)c2cccnc2Cl)CC1 ZINC000026895809 563735844 /nfs/dbraw/zinc/73/58/44/563735844.db2.gz FJYWTUFVGJTWQY-UHFFFAOYSA-N 0 0 308.853 4.460 50 0 DIAARN Cc1nccn1-c1ccc(NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000028306056 563751314 /nfs/dbraw/zinc/75/13/14/563751314.db2.gz ZXLGQPXCAFXBCW-UHFFFAOYSA-N 0 0 320.396 4.442 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000031851966 563768552 /nfs/dbraw/zinc/76/85/52/563768552.db2.gz XXLVZEIQBCNJFQ-HNNXBMFYSA-N 0 0 311.450 4.061 50 0 DIAARN CC[C@H](CNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000227154771 563771059 /nfs/dbraw/zinc/77/10/59/563771059.db2.gz YZHCVWIMHVQISU-GFCCVEGCSA-N 0 0 305.780 4.403 50 0 DIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000229408154 563772930 /nfs/dbraw/zinc/77/29/30/563772930.db2.gz MBHTVIULRIQAPH-WBAXXEDZSA-N 0 0 309.409 4.018 50 0 DIAARN C[C@H](NC(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000012421530 563774128 /nfs/dbraw/zinc/77/41/28/563774128.db2.gz LDSAJAZXOVGPJX-NZWMYCLXSA-N 0 0 319.395 4.300 50 0 DIAARN C[C@@H](NC(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000012421529 563774218 /nfs/dbraw/zinc/77/42/18/563774218.db2.gz LDSAJAZXOVGPJX-UZNLNLPZSA-N 0 0 319.395 4.300 50 0 DIAARN O=C(c1csc2ccccc12)N1CCSc2ccncc21 ZINC000125117841 563774924 /nfs/dbraw/zinc/77/49/24/563774924.db2.gz XTFMDBDUGGZZNO-UHFFFAOYSA-N 0 0 312.419 4.049 50 0 DIAARN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000239433661 563776141 /nfs/dbraw/zinc/77/61/41/563776141.db2.gz YGXSIECDCBRGFF-XYYAHUGASA-N 0 0 316.376 4.130 50 0 DIAARN O=C(c1noc2c1CCCCC2)N1CCCC[C@H]2CCCC[C@H]21 ZINC000240756956 563776785 /nfs/dbraw/zinc/77/67/85/563776785.db2.gz HVROPIAPQONISQ-GDBMZVCRSA-N 0 0 316.445 4.128 50 0 DIAARN O=C(CC[C@H]1CCOC1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000240321539 563776789 /nfs/dbraw/zinc/77/67/89/563776789.db2.gz FAEICZMTTPJEJX-WMLDXEAASA-N 0 0 321.848 4.210 50 0 DIAARN Cc1c2cc(F)ccc2oc1[C@@H](C)N[C@H](C)c1nccnc1C ZINC000241447026 563777093 /nfs/dbraw/zinc/77/70/93/563777093.db2.gz NQPBLLCMERHWRJ-CHWSQXEVSA-N 0 0 313.376 4.391 50 0 DIAARN Cc1nc(C)c(CSc2nccn2-c2cc(C)cc(C)c2)o1 ZINC000241961239 563777797 /nfs/dbraw/zinc/77/77/97/563777797.db2.gz UQNUNUUJEALUHJ-UHFFFAOYSA-N 0 0 313.426 4.386 50 0 DIAARN C[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000242087976 563778165 /nfs/dbraw/zinc/77/81/65/563778165.db2.gz WASGKLJQXZGCME-GFCCVEGCSA-N 0 0 312.344 4.479 50 0 DIAARN C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253611256 563784269 /nfs/dbraw/zinc/78/42/69/563784269.db2.gz IBMZAHKIAAJREF-JMQWGRHHSA-N 0 0 318.501 4.307 50 0 DIAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1 ZINC000000949543 563784991 /nfs/dbraw/zinc/78/49/91/563784991.db2.gz UGNVLASIQCHKKS-UHFFFAOYSA-N 0 0 306.365 4.464 50 0 DIAARN C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](F)CC[C@]34C)[C@H]1CCC2=O ZINC000254439698 563785012 /nfs/dbraw/zinc/78/50/12/563785012.db2.gz UVUJMCURBIDHPW-ZMNCIIHQSA-N 0 0 306.421 4.115 50 0 DIAARN CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000001002237 563787018 /nfs/dbraw/zinc/78/70/18/563787018.db2.gz IHDDTKFVYAHIKP-QGZVFWFLSA-N 0 0 317.816 4.295 50 0 DIAARN Cc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cs1 ZINC000001054956 563787374 /nfs/dbraw/zinc/78/73/74/563787374.db2.gz KAMPVTPQLDMESX-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025314369 563787450 /nfs/dbraw/zinc/78/74/50/563787450.db2.gz WCGILYXHFNXJQO-MRXNPFEDSA-N 0 0 314.360 4.203 50 0 DIAARN CCOc1ccccc1CCC(=O)Nc1ccccc1Cl ZINC000025374584 563787515 /nfs/dbraw/zinc/78/75/15/563787515.db2.gz JXBLTDTZSHUYFD-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN COC(=O)Nc1ccc(CNc2nc3ccccc3s2)cc1 ZINC000052328565 563787724 /nfs/dbraw/zinc/78/77/24/563787724.db2.gz HMQLKLITRKUQJP-UHFFFAOYSA-N 0 0 313.382 4.087 50 0 DIAARN O=C(Nc1ccccc1O)C(c1ccccc1)c1ccccc1 ZINC000001098906 563788700 /nfs/dbraw/zinc/78/87/00/563788700.db2.gz PTLXLLWBKWHWEJ-UHFFFAOYSA-N 0 0 303.361 4.163 50 0 DIAARN COC(=O)c1c2c(sc1-n1c(C)ccc1C)C[C@@H](C)CC2 ZINC000001098286 563789057 /nfs/dbraw/zinc/78/90/57/563789057.db2.gz QRDOWVSXUPFUQM-JTQLQIEISA-N 0 0 303.427 4.067 50 0 DIAARN CC(C)CC(=O)Nc1ccc(Nc2ncnc3ccccc32)cc1 ZINC000025523515 563789065 /nfs/dbraw/zinc/78/90/65/563789065.db2.gz MYKVXZNHKGIFMZ-UHFFFAOYSA-N 0 0 320.396 4.358 50 0 DIAARN CC(=O)c1ccc(Br)c(Cl)c1C(F)(F)F ZINC000263623634 563794471 /nfs/dbraw/zinc/79/44/71/563794471.db2.gz JFCPNUBZTVMSHR-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN CC(=O)c1cc(Cl)cc(Br)c1C(F)(F)F ZINC000263622817 563794558 /nfs/dbraw/zinc/79/45/58/563794558.db2.gz BDPGASXXJSEEIJ-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN CC(=O)c1c(Cl)ccc(C(F)(F)F)c1Br ZINC000263623664 563794689 /nfs/dbraw/zinc/79/46/89/563794689.db2.gz JLTIXWANDFHIJT-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN CCC(=O)c1ccc(OCc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000031606833 563795970 /nfs/dbraw/zinc/79/59/70/563795970.db2.gz UKZWGWAYSBQGKY-UHFFFAOYSA-N 0 0 322.364 4.217 50 0 DIAARN Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000001913982 563796713 /nfs/dbraw/zinc/79/67/13/563796713.db2.gz DNHRRLLINDTUAJ-UHFFFAOYSA-N 0 0 301.361 4.240 50 0 DIAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)[C@@H]1CC=CCC1 ZINC000012520602 563797800 /nfs/dbraw/zinc/79/78/00/563797800.db2.gz ZAIFHKAJFAWUQO-CQSZACIVSA-N 0 0 323.421 4.358 50 0 DIAARN CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)c2ccccc12 ZINC000012539142 563799049 /nfs/dbraw/zinc/79/90/49/563799049.db2.gz QEBYUWAIKWYHPE-UHFFFAOYSA-N 0 0 312.800 4.104 50 0 DIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C ZINC000012534803 563799271 /nfs/dbraw/zinc/79/92/71/563799271.db2.gz MGCWBZWMBNVVFR-OAHLLOKOSA-N 0 0 312.413 4.060 50 0 DIAARN O=C(COC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000003237841 563799888 /nfs/dbraw/zinc/79/98/88/563799888.db2.gz ZUDSZSFGTCMFCF-UHFFFAOYSA-N 0 0 309.148 4.033 50 0 DIAARN COc1ccc(Nc2nc(Cl)nc3ccccc32)c(OC)c1 ZINC000003274120 563800177 /nfs/dbraw/zinc/80/01/77/563800177.db2.gz DQZUXAMIONYCIA-UHFFFAOYSA-N 0 0 315.760 4.044 50 0 DIAARN Cn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc21 ZINC000012546278 563800428 /nfs/dbraw/zinc/80/04/28/563800428.db2.gz QQTWHCKTIWNIFY-UHFFFAOYSA-N 0 0 322.842 4.263 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000012550358 563800580 /nfs/dbraw/zinc/80/05/80/563800580.db2.gz GIIZJNYODKDVGC-UHFFFAOYSA-N 0 0 323.396 4.012 50 0 DIAARN Cc1ccc2[nH]c(SCC(=O)c3c(F)cccc3F)nc2c1 ZINC000012556872 563800854 /nfs/dbraw/zinc/80/08/54/563800854.db2.gz OYTKIZUAPDGCGF-UHFFFAOYSA-N 0 0 318.348 4.125 50 0 DIAARN Cc1nc2ccc(NC(=O)Cc3cccc4ccccc43)cc2o1 ZINC000012552082 563800877 /nfs/dbraw/zinc/80/08/77/563800877.db2.gz BJTGERHPWJOHGC-UHFFFAOYSA-N 0 0 316.360 4.471 50 0 DIAARN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000012556112 563800945 /nfs/dbraw/zinc/80/09/45/563800945.db2.gz YLIZBPUNDPGKKR-OAHLLOKOSA-N 0 0 308.425 4.231 50 0 DIAARN O=C(Nc1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012554305 563801090 /nfs/dbraw/zinc/80/10/90/563801090.db2.gz LXFDLXGTHZJFHC-SFHVURJKSA-N 0 0 321.355 4.132 50 0 DIAARN COc1ccc(N2C(=O)c3ccccc3NC23CCCC3)cc1 ZINC000003353249 563801277 /nfs/dbraw/zinc/80/12/77/563801277.db2.gz GPFXAXIDOYTPCR-UHFFFAOYSA-N 0 0 308.381 4.038 50 0 DIAARN Cc1ccccc1-c1noc(CN2c3ccccc3CC[C@@H]2C)n1 ZINC000012563219 563801540 /nfs/dbraw/zinc/80/15/40/563801540.db2.gz ZIWGJJMLFUPFEE-HNNXBMFYSA-N 0 0 319.408 4.386 50 0 DIAARN CC(C)c1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012561884 563802049 /nfs/dbraw/zinc/80/20/49/563802049.db2.gz LNCHTMSNDUINGW-IBGZPJMESA-N 0 0 308.425 4.242 50 0 DIAARN CC(C)c1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000012594367 563802868 /nfs/dbraw/zinc/80/28/68/563802868.db2.gz SYOAOCQHAXZQJT-LBPRGKRZSA-N 0 0 317.820 4.298 50 0 DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003881899 563802952 /nfs/dbraw/zinc/80/29/52/563802952.db2.gz GCKMFJBGXUYNAG-MILMJNAHSA-N 0 0 302.458 4.269 50 0 biogenic DIAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012617330 563803437 /nfs/dbraw/zinc/80/34/37/563803437.db2.gz RXDCUSXGFGVFQP-VXGBXAGGSA-N 0 0 324.346 4.013 50 0 DIAARN C[C@@H](NC(=O)c1cccc2ncccc21)c1ccc(F)c(F)c1 ZINC000012615105 563803542 /nfs/dbraw/zinc/80/35/42/563803542.db2.gz WYHROWDMBFCOEP-LLVKDONJSA-N 0 0 312.319 4.004 50 0 DIAARN Cc1cnc(NC(=O)c2ccc(-c3ccccc3)nc2C)s1 ZINC000012613739 563803670 /nfs/dbraw/zinc/80/36/70/563803670.db2.gz VAOQIPWARGKOGN-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CCC[C@H]1C=CCN1C(=O)Nc1ccccc1OC(F)(F)F ZINC000299779798 563805752 /nfs/dbraw/zinc/80/57/52/563805752.db2.gz PNZDHZYIWPBXKQ-NSHDSACASA-N 0 0 314.307 4.158 50 0 DIAARN Cc1ccc(NC(=O)N2CCCC[C@H]2c2ccccn2)c(F)c1 ZINC000299785012 563805831 /nfs/dbraw/zinc/80/58/31/563805831.db2.gz IPNMAFDVNZJAAN-KRWDZBQOSA-N 0 0 313.376 4.288 50 0 DIAARN CCSCC(=O)N(C)Cc1sc2ccccc2c1Cl ZINC000299772953 563805849 /nfs/dbraw/zinc/80/58/49/563805849.db2.gz CCEZASHUABNKEK-UHFFFAOYSA-N 0 0 313.875 4.266 50 0 DIAARN Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 ZINC000012625780 563807302 /nfs/dbraw/zinc/80/73/02/563807302.db2.gz ZQVLRDVPDPVVEW-GOSISDBHSA-N 0 0 321.424 4.389 50 0 DIAARN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCC2)c1ccoc1 ZINC000012625060 563807393 /nfs/dbraw/zinc/80/73/93/563807393.db2.gz XMQHCIBVQTUCEF-GOSISDBHSA-N 0 0 323.417 4.349 50 0 DIAARN CCn1nc(C(C)C)cc1C(=O)Nc1cc(Cl)ccc1C ZINC000031875026 563807580 /nfs/dbraw/zinc/80/75/80/563807580.db2.gz DSQDNIYADWPWAV-UHFFFAOYSA-N 0 0 305.809 4.241 50 0 DIAARN Cc1ccccc1C[S@](=O)Cc1cccc(OC(F)F)c1 ZINC000078555964 563808298 /nfs/dbraw/zinc/80/82/98/563808298.db2.gz VWZOKFFORPVHPU-NRFANRHFSA-N 0 0 310.365 4.045 50 0 DIAARN CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccn1 ZINC000078382207 563808313 /nfs/dbraw/zinc/80/83/13/563808313.db2.gz ZJAFTBRODDNWAZ-UHFFFAOYSA-N 0 0 320.417 4.185 50 0 DIAARN C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 ZINC000032037803 563808575 /nfs/dbraw/zinc/80/85/75/563808575.db2.gz AXYSDGLHTLZLQI-QUBYGPBYSA-N 0 0 312.649 4.163 50 0 DIAARN COc1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000001382040 563813431 /nfs/dbraw/zinc/81/34/31/563813431.db2.gz AURRUUAVZIMCTE-UHFFFAOYSA-N 0 0 320.270 4.450 50 0 DIAARN CC(C)[S@@](=O)c1snnc1-c1ccc(Cl)cc1Cl ZINC000001385794 563814451 /nfs/dbraw/zinc/81/44/51/563814451.db2.gz RFPJJQILXCBYPU-SFHVURJKSA-N 0 0 321.254 4.028 50 0 DIAARN CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1nccs1 ZINC000083869860 563814638 /nfs/dbraw/zinc/81/46/38/563814638.db2.gz AOMGBESPHNBYHF-HOTGVXAUSA-N 0 0 308.406 4.063 50 0 DIAARN Clc1cc(CSc2ccccc2)nc(-c2ccncc2)n1 ZINC000001387485 563815246 /nfs/dbraw/zinc/81/52/46/563815246.db2.gz XVEYTXJXYGGKLG-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN Cc1cc(C)c(C2=C(C#N)C(=N)C(C#N)=C3CCCC[C@H]32)c(C)c1 ZINC000004638068 563816215 /nfs/dbraw/zinc/81/62/15/563816215.db2.gz FTCUOIIURVULJA-MRXNPFEDSA-N 0 0 315.420 4.366 50 0 DIAARN Cc1ccccc1C(=O)N1c2ccccc2OC[C@H]1C(C)(C)C ZINC000001392404 563817281 /nfs/dbraw/zinc/81/72/81/563817281.db2.gz HZCUNBNUSSDQPN-SFHVURJKSA-N 0 0 309.409 4.449 50 0 DIAARN CC(C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000001396777 563818104 /nfs/dbraw/zinc/81/81/04/563818104.db2.gz WACCAISPDMWXGV-UHFFFAOYSA-N 0 0 306.818 4.488 50 0 DIAARN Cc1nn2cc(-c3cccc(Cl)c3)cnc2c1Br ZINC000001399477 563818147 /nfs/dbraw/zinc/81/81/47/563818147.db2.gz CFDQVGFNCRRBHF-UHFFFAOYSA-N 0 0 322.593 4.121 50 0 DIAARN COc1ccc2ccc(OC(=O)[C@H]3C[C@H]3c3ccco3)cc2c1 ZINC000083970396 563819148 /nfs/dbraw/zinc/81/91/48/563819148.db2.gz RUXBXEIRMDWBOM-SJORKVTESA-N 0 0 308.333 4.151 50 0 DIAARN Fc1cccc(CNc2ncnc3cc(Cl)ccc32)c1F ZINC000001405665 563819461 /nfs/dbraw/zinc/81/94/61/563819461.db2.gz FCIRSCRJAQXPSX-UHFFFAOYSA-N 0 0 305.715 4.174 50 0 DIAARN Cc1oc(-c2ccccc2)nc1C(=O)NCCC1=CCCCC1 ZINC000012743965 563819967 /nfs/dbraw/zinc/81/99/67/563819967.db2.gz LMPXIXCRFVNFAP-UHFFFAOYSA-N 0 0 310.397 4.270 50 0 DIAARN COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)cc1 ZINC000000122511 563820085 /nfs/dbraw/zinc/82/00/85/563820085.db2.gz DLHUDCMVRMSPKS-BJMVGYQFSA-N 0 0 302.757 4.276 50 0 DIAARN COc1ccc2cc(/C=C3/C(=O)Oc4ccccc43)ccc2c1 ZINC000083970328 563820336 /nfs/dbraw/zinc/82/03/36/563820336.db2.gz HQRJKDZPOVYIMN-WOJGMQOQSA-N 0 0 302.329 4.308 50 0 DIAARN S=C(Nc1ccccc1)c1nnsc1Nc1ccccc1 ZINC000001416876 563821238 /nfs/dbraw/zinc/82/12/38/563821238.db2.gz AOJSAMNMQAKSOI-UHFFFAOYSA-N 0 0 312.423 4.069 50 0 DIAARN Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc(C)n1 ZINC000084086318 563822302 /nfs/dbraw/zinc/82/23/02/563822302.db2.gz OHSCMQMLUMYSHR-GFCCVEGCSA-N 0 0 303.793 4.235 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)c(C)nc3c2)C1(C)C ZINC000001427363 563823876 /nfs/dbraw/zinc/82/38/76/563823876.db2.gz GDFPHELAPFAEGX-CRAIPNDOSA-N 0 0 323.440 4.424 50 0 DIAARN Cc1nn(-c2ncc(Cl)cc2Cl)c(N)c1-c1ccccc1 ZINC000001425525 563823913 /nfs/dbraw/zinc/82/39/13/563823913.db2.gz HYLKNJXJKWBOEN-UHFFFAOYSA-N 0 0 319.195 4.132 50 0 DIAARN CCOc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000012757571 563824796 /nfs/dbraw/zinc/82/47/96/563824796.db2.gz ZJQWFVUAZNVHMF-UHFFFAOYSA-N 0 0 316.426 4.063 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1F ZINC000012762058 563826108 /nfs/dbraw/zinc/82/61/08/563826108.db2.gz NTJNNQKIPYFKQX-UHFFFAOYSA-N 0 0 306.340 4.448 50 0 DIAARN Clc1ccc(-c2nc(CSC[C@H]3CCCCO3)no2)cc1 ZINC000084421708 563826873 /nfs/dbraw/zinc/82/68/73/563826873.db2.gz KFFCJJPANPKRJA-CYBMUJFWSA-N 0 0 324.833 4.192 50 0 DIAARN Clc1ccc(-c2nc(CSC[C@@H]3CCCCO3)no2)cc1 ZINC000084421704 563826904 /nfs/dbraw/zinc/82/69/04/563826904.db2.gz KFFCJJPANPKRJA-ZDUSSCGKSA-N 0 0 324.833 4.192 50 0 DIAARN Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c(C)c1 ZINC000012771476 563828141 /nfs/dbraw/zinc/82/81/41/563828141.db2.gz NQRQKBPSXTWQHJ-OAHLLOKOSA-N 0 0 323.392 4.306 50 0 DIAARN O=C(c1cccc2[nH]ccc21)N(CCC(F)(F)F)C1CCC1 ZINC000084621401 563828222 /nfs/dbraw/zinc/82/82/22/563828222.db2.gz UEUBEVZEODHKFU-UHFFFAOYSA-N 0 0 310.319 4.115 50 0 DIAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1cnccn1 ZINC000084594977 563828365 /nfs/dbraw/zinc/82/83/65/563828365.db2.gz ZXDUMXUMEUUIKW-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN CC(C)c1nc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)cs1 ZINC000084631044 563828989 /nfs/dbraw/zinc/82/89/89/563828989.db2.gz CDPYAFQHVQENRQ-GIPWTMENSA-N 0 0 311.447 4.416 50 0 DIAARN C[C@@H](CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000012776728 563830024 /nfs/dbraw/zinc/83/00/24/563830024.db2.gz JGQSWQXLDQMKHE-HNNXBMFYSA-N 0 0 317.392 4.276 50 0 DIAARN CCC[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000084740748 563830533 /nfs/dbraw/zinc/83/05/33/563830533.db2.gz OHAUUBUSZQBRKN-CYBMUJFWSA-N 0 0 317.458 4.181 50 0 DIAARN CCCc1noc([C@@H](C)Nc2ccc(N3CCCCC3)cc2)n1 ZINC000084759044 563830573 /nfs/dbraw/zinc/83/05/73/563830573.db2.gz VCBMOMOOUYMRSM-CQSZACIVSA-N 0 0 314.433 4.186 50 0 DIAARN CCOc1ccccc1CN(C)c1ccc(C(F)(F)F)cn1 ZINC000084810988 563831501 /nfs/dbraw/zinc/83/15/01/563831501.db2.gz QMPFKNURUMLFNM-UHFFFAOYSA-N 0 0 310.319 4.136 50 0 DIAARN CCOc1ccccc1CNC(=O)c1cc(Cl)ccc1Cl ZINC000053163198 563834713 /nfs/dbraw/zinc/83/47/13/563834713.db2.gz IZGKJTKDOAGCOI-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN COc1ccc(CCNC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000012809377 563835219 /nfs/dbraw/zinc/83/52/19/563835219.db2.gz SOCTZLVEKBOBJB-UHFFFAOYSA-N 0 0 317.473 4.206 50 0 DIAARN Oc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1Cl ZINC000053193493 563836849 /nfs/dbraw/zinc/83/68/49/563836849.db2.gz IOCZKEDCWYJXEJ-GOSISDBHSA-N 0 0 310.784 4.029 50 0 DIAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccc(C)cc1 ZINC000012821646 563840617 /nfs/dbraw/zinc/84/06/17/563840617.db2.gz DXRNDPFFMKHOOQ-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN CC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000012824620 563842996 /nfs/dbraw/zinc/84/29/96/563842996.db2.gz DCKFWWVJKFDEOZ-HNNXBMFYSA-N 0 0 315.438 4.468 50 0 DIAARN O=C(CSc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000012850815 563844725 /nfs/dbraw/zinc/84/47/25/563844725.db2.gz HPDOQQCRFYVBRQ-SFHVURJKSA-N 0 0 315.413 4.185 50 0 DIAARN COc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000012853101 563844824 /nfs/dbraw/zinc/84/48/24/563844824.db2.gz UOTCOGMURVXJHI-QGZVFWFLSA-N 0 0 315.800 4.230 50 0 DIAARN CC(C)c1ccc(OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000012850318 563844988 /nfs/dbraw/zinc/84/49/88/563844988.db2.gz YMAFKBYJMVBEAQ-UHFFFAOYSA-N 0 0 323.396 4.355 50 0 DIAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccc(F)c1 ZINC000012855092 563845086 /nfs/dbraw/zinc/84/50/86/563845086.db2.gz CPHJZLXIIXXXGN-INIZCTEOSA-N 0 0 303.764 4.360 50 0 DIAARN CC(=O)Nc1cc2c(cc1Cl)-c1ccc(Cl)cc1C2=O ZINC000000398855 563846144 /nfs/dbraw/zinc/84/61/44/563846144.db2.gz PFCQAXPMCSYURK-UHFFFAOYSA-N 0 0 306.148 4.163 50 0 DIAARN COc1cc(C=O)ccc1OC(=O)Nc1cccc(Cl)c1C ZINC000001741587 563846679 /nfs/dbraw/zinc/84/66/79/563846679.db2.gz ZZZDNZMYAFVERU-UHFFFAOYSA-N 0 0 319.744 4.080 50 0 DIAARN COc1ccc(OC)c(NC(=O)Oc2ccc3ccccc3c2)c1 ZINC000000400302 563846748 /nfs/dbraw/zinc/84/67/48/563846748.db2.gz UDNXGFCRBIJOKA-UHFFFAOYSA-N 0 0 323.348 4.468 50 0 DIAARN CC1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033559665 563847333 /nfs/dbraw/zinc/84/73/33/563847333.db2.gz XLLSNCLTCNWCPJ-UHFFFAOYSA-N 0 0 305.425 4.321 50 0 DIAARN C[Si](C)(C)CCOCO[C@H]1C=C(Br)CCC1 ZINC000169831741 563849365 /nfs/dbraw/zinc/84/93/65/563849365.db2.gz GOSYILGWVIGRTQ-GFCCVEGCSA-N 0 0 307.304 4.147 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1ccc2c(c1)CCCC2 ZINC000012908765 563853113 /nfs/dbraw/zinc/85/31/13/563853113.db2.gz JLEZKFZVNJWHAA-UHFFFAOYSA-N 0 0 302.377 4.366 50 0 DIAARN CC[C@H](C)C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000012919087 563853649 /nfs/dbraw/zinc/85/36/49/563853649.db2.gz CZXQKTUPEAJXSH-NSHDSACASA-N 0 0 315.442 4.229 50 0 DIAARN CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000012914724 563853979 /nfs/dbraw/zinc/85/39/79/563853979.db2.gz MYEKEAIZZKUUGF-UHFFFAOYSA-N 0 0 324.355 4.286 50 0 DIAARN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)c(Cl)c1 ZINC000012920776 563854385 /nfs/dbraw/zinc/85/43/85/563854385.db2.gz LIGQLYRHWSQIHB-ZDUSSCGKSA-N 0 0 323.845 4.030 50 0 DIAARN CC1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000012929431 563854883 /nfs/dbraw/zinc/85/48/83/563854883.db2.gz QVFFVXICUKPJDE-UHFFFAOYSA-N 0 0 304.192 4.441 50 0 DIAARN C[C@H]1Cc2ccccc2N1C(=O)CCc1c[nH]c2ccccc12 ZINC000012934140 563857060 /nfs/dbraw/zinc/85/70/60/563857060.db2.gz PEMAYZUIWCCZOS-AWEZNQCLSA-N 0 0 304.393 4.078 50 0 DIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 ZINC000012935965 563857651 /nfs/dbraw/zinc/85/76/51/563857651.db2.gz QSUAFIYTWBPQKL-MRXNPFEDSA-N 0 0 303.764 4.360 50 0 DIAARN O=C(Cc1cccc(F)c1)Nc1ccc(SC(F)F)cc1 ZINC000012936487 563857717 /nfs/dbraw/zinc/85/77/17/563857717.db2.gz UAINIUKZBPZNJD-UHFFFAOYSA-N 0 0 311.328 4.322 50 0 DIAARN COc1cccc(CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000075107502 563859653 /nfs/dbraw/zinc/85/96/53/563859653.db2.gz HGZVRDMESLISHZ-OXJNMPFZSA-N 0 0 323.436 4.032 50 0 DIAARN CN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]c2ccccc12 ZINC000012950337 563859868 /nfs/dbraw/zinc/85/98/68/563859868.db2.gz CFMLHBJEVUFERC-UHFFFAOYSA-N 0 0 312.800 4.022 50 0 DIAARN C[C@H](OC(=O)c1ccccc1)c1nc2cc(Cl)ccc2n1C ZINC000075104068 563859927 /nfs/dbraw/zinc/85/99/27/563859927.db2.gz IQLTUHPVTNOJTP-NSHDSACASA-N 0 0 314.772 4.145 50 0 DIAARN COc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000075157175 563861376 /nfs/dbraw/zinc/86/13/76/563861376.db2.gz USGIFJOZOMDHGH-UHFFFAOYSA-N 0 0 316.426 4.168 50 0 DIAARN O=C(/C=C/c1cccs1)N1CCC(c2ccsc2)CC1 ZINC000075157107 563861404 /nfs/dbraw/zinc/86/14/04/563861404.db2.gz RBDQUYNODAFSRE-ONEGZZNKSA-N 0 0 303.452 4.229 50 0 DIAARN CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000075249200 563861641 /nfs/dbraw/zinc/86/16/41/563861641.db2.gz MUASCGXGFGQNTE-SFHVURJKSA-N 0 0 311.425 4.426 50 0 DIAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCCC(C)C ZINC000075330321 563863634 /nfs/dbraw/zinc/86/36/34/563863634.db2.gz WZJCEAXUVNTBBK-UHFFFAOYSA-N 0 0 308.429 4.471 50 0 DIAARN Cc1cccc2sc(NC(=O)/C=C/c3cccs3)nc21 ZINC000006868260 563863746 /nfs/dbraw/zinc/86/37/46/563863746.db2.gz JYTNYPVCDUSXFT-BQYQJAHWSA-N 0 0 300.408 4.318 50 0 DIAARN Cc1ccc2ccc3cc(C(=O)NC4CCCCCC4)[nH]c3c2n1 ZINC000075346741 563863754 /nfs/dbraw/zinc/86/37/54/563863754.db2.gz DJZNTJVEXSUZPO-UHFFFAOYSA-N 0 0 321.424 4.477 50 0 DIAARN O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2[nH]1 ZINC000007815519 563864347 /nfs/dbraw/zinc/86/43/47/563864347.db2.gz CHXANWXYFSUZRK-UHFFFAOYSA-N 0 0 324.361 4.241 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccc(O)cc1 ZINC000053748676 563866192 /nfs/dbraw/zinc/86/61/92/563866192.db2.gz RDWDLMAOOCKQJX-INIZCTEOSA-N 0 0 318.323 4.039 50 0 DIAARN Cc1ccc2nc(CNc3cccc(C(F)(F)F)c3)cn2c1 ZINC000007998471 563867267 /nfs/dbraw/zinc/86/72/67/563867267.db2.gz WWDSAIIGWIOOBL-UHFFFAOYSA-N 0 0 305.303 4.274 50 0 DIAARN O=C(NCc1ccc(-c2ccoc2)nc1)c1cc2ccccc2o1 ZINC000575615492 563867368 /nfs/dbraw/zinc/86/73/68/563867368.db2.gz FOVGMZQWMHOGNL-UHFFFAOYSA-N 0 0 318.332 4.018 50 0 DIAARN CCCn1cnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21 ZINC000035453666 563867728 /nfs/dbraw/zinc/86/77/28/563867728.db2.gz GHNPEANEPPREBG-UHFFFAOYSA-N 0 0 322.343 4.302 50 0 DIAARN CCCc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1 ZINC000575619378 563867859 /nfs/dbraw/zinc/86/78/59/563867859.db2.gz FCYCRNSQFCXKJU-UHFFFAOYSA-N 0 0 320.392 4.224 50 0 DIAARN O=C(NCc1cncc(-c2ccco2)c1)c1cc2ccccc2o1 ZINC000575618149 563867890 /nfs/dbraw/zinc/86/78/90/563867890.db2.gz JQNNAGHSJOVOQV-UHFFFAOYSA-N 0 0 318.332 4.018 50 0 DIAARN Cc1ccc(-c2ncc(C(=O)Nc3cccc(C)c3)c(C)n2)cc1 ZINC000035503399 563871044 /nfs/dbraw/zinc/87/10/44/563871044.db2.gz MVPPVBINQGBZLT-UHFFFAOYSA-N 0 0 317.392 4.321 50 0 DIAARN COC(=O)c1c(NC2CCCC2)onc1-c1ccc(Cl)cc1 ZINC000035509965 563871498 /nfs/dbraw/zinc/87/14/98/563871498.db2.gz XSIBPPVHWVBWHL-UHFFFAOYSA-N 0 0 320.776 4.136 50 0 DIAARN Cc1ccc(C2=Nc3ccccc3N=C(c3ccncc3)N2)cc1 ZINC000006743574 563871595 /nfs/dbraw/zinc/87/15/95/563871595.db2.gz DTJWYILXOPBUDX-UHFFFAOYSA-N 0 0 312.376 4.341 50 0 DIAARN Cc1cc(F)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000075437358 563871648 /nfs/dbraw/zinc/87/16/48/563871648.db2.gz YELAOKBRYIVTSP-UHFFFAOYSA-N 0 0 321.355 4.152 50 0 DIAARN Cc1nc(-c2cc(NC(=O)CCC3CCCC3)c(C)s2)no1 ZINC000035554561 563872224 /nfs/dbraw/zinc/87/22/24/563872224.db2.gz DWKKEQMBPQATPB-UHFFFAOYSA-N 0 0 319.430 4.324 50 0 DIAARN CC[C@](C)(Nc1ccccc1C)c1nnnn1-c1ccccc1C ZINC000035622094 563872928 /nfs/dbraw/zinc/87/29/28/563872928.db2.gz JPMSVBBGDKZACV-IBGZPJMESA-N 0 0 321.428 4.016 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCOC12CCCCC2 ZINC000035671069 563873918 /nfs/dbraw/zinc/87/39/18/563873918.db2.gz PQUXAGPWRXEULM-UHFFFAOYSA-N 0 0 313.397 4.182 50 0 DIAARN O=C(COc1ccccc1)Nc1cccc(OC2CCCC2)c1 ZINC000013003286 563874943 /nfs/dbraw/zinc/87/49/43/563874943.db2.gz ZNHDGKUCKQEOMH-UHFFFAOYSA-N 0 0 311.381 4.026 50 0 DIAARN COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1Cl ZINC000013004546 563874994 /nfs/dbraw/zinc/87/49/94/563874994.db2.gz WRESCMIHRJFUMO-UHFFFAOYSA-N 0 0 307.802 4.151 50 0 DIAARN CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 ZINC000001696593 563875106 /nfs/dbraw/zinc/87/51/06/563875106.db2.gz IRIAEXORFWYRCZ-UHFFFAOYSA-N 0 0 312.365 4.001 50 0 in-vitro DIAARN O=C(Nc1ccc(F)cc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000013001389 563875120 /nfs/dbraw/zinc/87/51/20/563875120.db2.gz QBSOZADVDLUSPG-CQSZACIVSA-N 0 0 320.364 4.323 50 0 DIAARN CCOc1cc2c(cc1NC(=O)c1sccc1C)O[C@@H](C)C2 ZINC000013003575 563875127 /nfs/dbraw/zinc/87/51/27/563875127.db2.gz HOKQUTBRWISTHW-NSHDSACASA-N 0 0 317.410 4.031 50 0 DIAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1Cl)C2 ZINC000013004327 563875663 /nfs/dbraw/zinc/87/56/63/563875663.db2.gz SAKGVIBVZLYFLG-OAHLLOKOSA-N 0 0 303.814 4.304 50 0 DIAARN COc1ccc(C)cc1NC(=O)CCOc1cc(C)cc(C)c1 ZINC000013019932 563876757 /nfs/dbraw/zinc/87/67/57/563876757.db2.gz XHSTZEWFQNDOMT-UHFFFAOYSA-N 0 0 313.397 4.028 50 0 DIAARN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000003053832 563876808 /nfs/dbraw/zinc/87/68/08/563876808.db2.gz KDPQTPZDVJHMET-RMJJICAUSA-N 0 0 312.409 4.037 50 0 in-vitro DIAARN CCC(CC)NC(=O)c1sc2cccc(F)c2c1COC ZINC000008133402 563878573 /nfs/dbraw/zinc/87/85/73/563878573.db2.gz AARLIZURDQMKKU-UHFFFAOYSA-N 0 0 309.406 4.105 50 0 DIAARN CN(C(=S)Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000053520316 563879182 /nfs/dbraw/zinc/87/91/82/563879182.db2.gz KWPDYDDMPNMRSU-UHFFFAOYSA-N 0 0 300.402 4.148 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H]2c2ccccn2)o1 ZINC000239367319 563879910 /nfs/dbraw/zinc/87/99/10/563879910.db2.gz AIFPTSBRZJKFMB-HFTRVMKXSA-N 0 0 324.424 4.094 50 0 DIAARN O=C(Nc1ccccc1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000239347237 563879951 /nfs/dbraw/zinc/87/99/51/563879951.db2.gz MMOSXTJWJAFEOQ-OYQDBORRSA-N 0 0 324.251 4.481 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H]2c2ccncc2)o1 ZINC000240902778 563880387 /nfs/dbraw/zinc/88/03/87/563880387.db2.gz IVHMECNKSYWAPK-JLSDUUJJSA-N 0 0 324.424 4.094 50 0 DIAARN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000241965696 563880890 /nfs/dbraw/zinc/88/08/90/563880890.db2.gz UVAUKVWTZQXGJM-JULQROHOSA-N 0 0 312.240 4.496 50 0 DIAARN COCC/N=c1\cc(-c2ccccc2)oc2cc(C)cc(C)c21 ZINC000001892331 563882526 /nfs/dbraw/zinc/88/25/26/563882526.db2.gz CXNQPLWVYLWYEX-HEHNFIMWSA-N 0 0 307.393 4.264 50 0 DIAARN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1nc(C2CC2)cs1 ZINC000246223743 563882848 /nfs/dbraw/zinc/88/28/48/563882848.db2.gz ZUDTZIKURFCQSV-SCDSUCTJSA-N 0 0 305.447 4.205 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000001903911 563883501 /nfs/dbraw/zinc/88/35/01/563883501.db2.gz GRMHIXBFXXIOLK-NTEUORMPSA-N 0 0 323.392 4.295 50 0 DIAARN CN(Cc1ccc(C(F)(F)F)cc1)c1nccc2occc21 ZINC000089355785 563884612 /nfs/dbraw/zinc/88/46/12/563884612.db2.gz RODWBGRFBWWVBF-UHFFFAOYSA-N 0 0 306.287 4.483 50 0 DIAARN C[C@@H]1C[C@@H](C(=O)OCc2ccc(Cl)s2)c2ccccc2N1 ZINC000078999753 563885382 /nfs/dbraw/zinc/88/53/82/563885382.db2.gz WAFOQERJYNGVML-ZWNOBZJWSA-N 0 0 321.829 4.433 50 0 DIAARN CCCC[C@H](NC(C)=O)c1nc2ccccc2n1CCCC ZINC000001927001 563886084 /nfs/dbraw/zinc/88/60/84/563886084.db2.gz QIPPZIORWVMEBJ-INIZCTEOSA-N 0 0 301.434 4.204 50 0 DIAARN Cc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c(C)c1 ZINC000000098300 563886538 /nfs/dbraw/zinc/88/65/38/563886538.db2.gz IRLUTHHVXLVYBA-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN CCc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 ZINC000000140968 563886768 /nfs/dbraw/zinc/88/67/68/563886768.db2.gz JUFHFZUSCPSPSQ-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN CO[C@H](c1nnc(COc2cc(C)ccc2C)o1)c1ccccc1 ZINC000521393804 563887773 /nfs/dbraw/zinc/88/77/73/563887773.db2.gz JCISCXXEOOQKCA-SFHVURJKSA-N 0 0 324.380 4.001 50 0 DIAARN C[C@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1ccccn1 ZINC000075722794 563888494 /nfs/dbraw/zinc/88/84/94/563888494.db2.gz BCWLEJSIDXTYMB-HNNXBMFYSA-N 0 0 322.452 4.288 50 0 DIAARN CCCOc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000006569874 563890465 /nfs/dbraw/zinc/89/04/65/563890465.db2.gz OPLZUQSNNZICRF-UHFFFAOYSA-N 0 0 324.424 4.328 50 0 DIAARN C/C=C\Cn1c(C(=O)N[C@@H](C)CC)cc2c1cccc2OCC ZINC000035927900 563890566 /nfs/dbraw/zinc/89/05/66/563890566.db2.gz RMPCEPAIGYBYGD-PODYEWJSSA-N 0 0 314.429 4.144 50 0 DIAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(Cl)cc1 ZINC000002491406 563890778 /nfs/dbraw/zinc/89/07/78/563890778.db2.gz NPEQEJBUAHXKID-CQSZACIVSA-N 0 0 320.816 4.484 50 0 DIAARN CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCc2ccccc21 ZINC000029258291 563890893 /nfs/dbraw/zinc/89/08/93/563890893.db2.gz QEJMCFTVXVFLKU-IBGZPJMESA-N 0 0 304.393 4.318 50 0 DIAARN CC1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cn2)CC1 ZINC000064676735 563892110 /nfs/dbraw/zinc/89/21/10/563892110.db2.gz HUEJMFQXEQNMBR-UHFFFAOYSA-N 0 0 320.396 4.035 50 0 DIAARN CCC(C)(C)NC(=O)c1sc2cc(Cl)ccc2c1OC ZINC000064756766 563892748 /nfs/dbraw/zinc/89/27/48/563892748.db2.gz WKXFWTNYJMAXGY-UHFFFAOYSA-N 0 0 311.834 4.482 50 0 DIAARN CCn1cnc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc21 ZINC000064759478 563893174 /nfs/dbraw/zinc/89/31/74/563893174.db2.gz IBBWMRLVDNJUKP-UHFFFAOYSA-N 0 0 324.771 4.427 50 0 DIAARN Cc1ccc(CO[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000036315809 563895033 /nfs/dbraw/zinc/89/50/33/563895033.db2.gz FLBYSLRYZPRKRD-IBGZPJMESA-N 0 0 324.424 4.208 50 0 DIAARN CC(C)CNC(=O)c1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000036346919 563895425 /nfs/dbraw/zinc/89/54/25/563895425.db2.gz XTHYYNQBYZBDMK-UHFFFAOYSA-N 0 0 322.330 4.153 50 0 DIAARN COc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1 ZINC000064968221 563895487 /nfs/dbraw/zinc/89/54/87/563895487.db2.gz SKPRTIVICJHSER-UHFFFAOYSA-N 0 0 310.353 4.212 50 0 DIAARN COc1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1 ZINC000064968220 563895540 /nfs/dbraw/zinc/89/55/40/563895540.db2.gz GCIWYBQQDXPBFJ-UHFFFAOYSA-N 0 0 310.353 4.212 50 0 DIAARN CC(C)c1nc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2o1 ZINC000064968299 563895563 /nfs/dbraw/zinc/89/55/63/563895563.db2.gz PMVZVFFXLMNPQG-AWEZNQCLSA-N 0 0 322.408 4.485 50 0 DIAARN O=C1C[C@H](c2cccs2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036354979 563896417 /nfs/dbraw/zinc/89/64/17/563896417.db2.gz PPHVUJRKOSHAJZ-GFCCVEGCSA-N 0 0 313.357 4.197 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006842659 563896749 /nfs/dbraw/zinc/89/67/49/563896749.db2.gz NNIZEOSQKPXAEN-NSHDSACASA-N 0 0 316.788 4.468 50 0 DIAARN Cc1ccccc1NC(=O)N1CCOc2ccc(Cl)cc21 ZINC000006842957 563896752 /nfs/dbraw/zinc/89/67/52/563896752.db2.gz QKXNEHIDDIYKPZ-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN Cn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2occc21 ZINC000036365996 563896757 /nfs/dbraw/zinc/89/67/57/563896757.db2.gz ILBGXXUFTXBVFB-UHFFFAOYSA-N 0 0 309.152 4.330 50 0 DIAARN Cc1ccc2onc(CNC(=O)Nc3ccccc3Cl)c2c1 ZINC000006866182 563897400 /nfs/dbraw/zinc/89/74/00/563897400.db2.gz WBNHCOCXSQNMTB-UHFFFAOYSA-N 0 0 315.760 4.111 50 0 DIAARN Cc1ccc2onc(CNC(=O)N(C)c3ccc(C)c(C)c3)c2c1 ZINC000006866054 563897577 /nfs/dbraw/zinc/89/75/77/563897577.db2.gz QEPMHPRKLMXAEU-UHFFFAOYSA-N 0 0 323.396 4.099 50 0 DIAARN COc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1 ZINC000006876917 563897968 /nfs/dbraw/zinc/89/79/68/563897968.db2.gz WHOFZJYPVIUJMK-GFCCVEGCSA-N 0 0 314.410 4.228 50 0 DIAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1ccsc1 ZINC000036394810 563898399 /nfs/dbraw/zinc/89/83/99/563898399.db2.gz OHDYWSXXKSRAJK-GFCCVEGCSA-N 0 0 307.846 4.082 50 0 DIAARN CC(C)OCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000036398450 563898729 /nfs/dbraw/zinc/89/87/29/563898729.db2.gz MJPVLBDFKUFXMR-UHFFFAOYSA-N 0 0 316.445 4.010 50 0 DIAARN CC[C@H](NC(=O)c1ccccc1C)c1ccccc1OC(F)F ZINC000036398112 563898808 /nfs/dbraw/zinc/89/88/08/563898808.db2.gz OTYSPDYUKGUBMD-HNNXBMFYSA-N 0 0 319.351 4.478 50 0 DIAARN CC(C)CSc1nc2sccc2c(=O)n1-c1ccccc1 ZINC000006907532 563899006 /nfs/dbraw/zinc/89/90/06/563899006.db2.gz BSRXIULJCWLPOO-UHFFFAOYSA-N 0 0 316.451 4.195 50 0 DIAARN CCc1nc2cc(-c3noc(/C=C/c4ccco4)n3)ccc2o1 ZINC000065149791 563899644 /nfs/dbraw/zinc/89/96/44/563899644.db2.gz FEDNTSVUTVWDRM-SOFGYWHQSA-N 0 0 307.309 4.204 50 0 DIAARN CCc1nc2cc(-c3noc(Cc4ccc(C)cc4)n3)ccc2o1 ZINC000065149799 563899746 /nfs/dbraw/zinc/89/97/46/563899746.db2.gz RTPKIXHWYILJJK-UHFFFAOYSA-N 0 0 319.364 4.339 50 0 DIAARN O=C(CCCC(=O)c1ccccc1)Nc1ccc(F)cc1Cl ZINC000006946617 563899983 /nfs/dbraw/zinc/89/99/83/563899983.db2.gz CZQTVCFJTHLDHL-UHFFFAOYSA-N 0 0 319.763 4.471 50 0 DIAARN CCn1cc(C(=O)Nc2ccc(F)cc2Cl)c2cccnc21 ZINC000065216698 563900800 /nfs/dbraw/zinc/90/08/00/563900800.db2.gz DAFUMEUTRNBZAQ-UHFFFAOYSA-N 0 0 317.751 4.101 50 0 DIAARN CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c2cccnc21 ZINC000065216642 563900941 /nfs/dbraw/zinc/90/09/41/563900941.db2.gz AWAGODUWFSAWLZ-UHFFFAOYSA-N 0 0 313.788 4.270 50 0 DIAARN CCc1ccc2c(CC(=O)Nc3ccccc3C(C)=O)coc2c1 ZINC000007014676 563901173 /nfs/dbraw/zinc/90/11/73/563901173.db2.gz VQRUHHFKINVGFH-UHFFFAOYSA-N 0 0 321.376 4.379 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccncc1 ZINC000036661928 563902531 /nfs/dbraw/zinc/90/25/31/563902531.db2.gz SZWQSFJMTVMDNI-HNNXBMFYSA-N 0 0 320.314 4.078 50 0 DIAARN CN(Cc1ccco1)C(=O)c1cccnc1Sc1ccccc1 ZINC000036705248 563902915 /nfs/dbraw/zinc/90/29/15/563902915.db2.gz JVYFTKLFJNLOLG-UHFFFAOYSA-N 0 0 324.405 4.098 50 0 DIAARN COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1C ZINC000007116460 563903398 /nfs/dbraw/zinc/90/33/98/563903398.db2.gz HSCIEUZJGDKYHK-CYBMUJFWSA-N 0 0 309.365 4.241 50 0 DIAARN CCOc1ccccc1CCC(=O)Nc1cc(F)ccc1C ZINC000007133096 563903609 /nfs/dbraw/zinc/90/36/09/563903609.db2.gz FSDYVZIWVFMDCL-UHFFFAOYSA-N 0 0 301.361 4.104 50 0 DIAARN CCCNc1nnc(SCc2ccc3ccccc3n2)s1 ZINC000007190046 563904377 /nfs/dbraw/zinc/90/43/77/563904377.db2.gz JNOJKLAKFWKCLY-UHFFFAOYSA-N 0 0 316.455 4.201 50 0 DIAARN Cc1noc(C)c1CSCC(=O)c1c(C)[nH]c2ccccc21 ZINC000036846111 563904529 /nfs/dbraw/zinc/90/45/29/563904529.db2.gz VMPFLYFBLPWVBM-UHFFFAOYSA-N 0 0 314.410 4.197 50 0 DIAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000007242464 563904615 /nfs/dbraw/zinc/90/46/15/563904615.db2.gz RVTJFHWHFRXCNR-LBPRGKRZSA-N 0 0 314.816 4.268 50 0 DIAARN Cc1cc(C)cc(COC(=O)Cc2coc(-c3ccccc3)n2)c1 ZINC000036795013 563904632 /nfs/dbraw/zinc/90/46/32/563904632.db2.gz JJMRHVFMSXGKNX-UHFFFAOYSA-N 0 0 321.376 4.244 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)c1cnc2ccccc2n1 ZINC000007212345 563904650 /nfs/dbraw/zinc/90/46/50/563904650.db2.gz PAWXGSZMBHGTJX-UHFFFAOYSA-N 0 0 305.381 4.314 50 0 DIAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000007223499 563904678 /nfs/dbraw/zinc/90/46/78/563904678.db2.gz OHIOLYJOFILZLG-CQSZACIVSA-N 0 0 320.392 4.288 50 0 DIAARN N#C/C(=C\C(Cl)=C\c1ccccc1)C(=O)NC1CCCCC1 ZINC000007336819 563905353 /nfs/dbraw/zinc/90/53/53/563905353.db2.gz FRCRKKVVTYUVMY-UMPHWWIRSA-N 0 0 314.816 4.165 50 0 DIAARN COc1cc(C(C)=O)ccc1OCc1ncc(-c2ccccc2)o1 ZINC000007393153 563905820 /nfs/dbraw/zinc/90/58/20/563905820.db2.gz ALKWSWZAUFNERR-UHFFFAOYSA-N 0 0 323.348 4.132 50 0 DIAARN Cc1cc(C)cc(C(=O)OCc2ncc(-c3ccccc3)o2)c1 ZINC000007440220 563906375 /nfs/dbraw/zinc/90/63/75/563906375.db2.gz NBYDYDSUBRKXKV-UHFFFAOYSA-N 0 0 307.349 4.315 50 0 DIAARN Cc1occc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000170591681 563906630 /nfs/dbraw/zinc/90/66/30/563906630.db2.gz METZDUKQEKGPDU-UHFFFAOYSA-N 0 0 316.364 4.205 50 0 DIAARN NC(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000007473686 563906653 /nfs/dbraw/zinc/90/66/53/563906653.db2.gz HHUKCQHXRSZUCM-UHFFFAOYSA-N 0 0 322.408 4.086 50 0 DIAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(F)cc(F)c1 ZINC000007485952 563906743 /nfs/dbraw/zinc/90/67/43/563906743.db2.gz LVEQPWHSHBQRFG-UHFFFAOYSA-N 0 0 324.739 4.480 50 0 DIAARN CCN1c2ccc(N[C@H](C)C3CCCCC3)cc2CCC1=O ZINC000170595351 563906947 /nfs/dbraw/zinc/90/69/47/563906947.db2.gz WAFPPZZXJRJHFX-CQSZACIVSA-N 0 0 300.446 4.366 50 0 DIAARN CCC1CCC(N(C(=O)c2cc(C(C)(C)C)n[nH]2)C2CC2)CC1 ZINC000170597018 563907168 /nfs/dbraw/zinc/90/71/68/563907168.db2.gz LRZCNRIFKYAYET-UHFFFAOYSA-N 0 0 317.477 4.281 50 0 DIAARN O=C(c1ccccc1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 ZINC000007507264 563907301 /nfs/dbraw/zinc/90/73/01/563907301.db2.gz OAWFHCHLHOLEMK-LJQANCHMSA-N 0 0 321.401 4.036 50 0 DIAARN c1ccc(-n2c3ccccc3nc2NCc2cccnc2)cc1 ZINC000170607171 563907765 /nfs/dbraw/zinc/90/77/65/563907765.db2.gz BHQVMGWXCRTXPZ-UHFFFAOYSA-N 0 0 300.365 4.033 50 0 DIAARN CC(C)(C)O[C@@H]1CCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000170616514 563908441 /nfs/dbraw/zinc/90/84/41/563908441.db2.gz CDWDAFOFPMKTNJ-OAHLLOKOSA-N 0 0 312.413 4.261 50 0 DIAARN CC[C@@H](c1ccccc1)[S@](=O)Cc1ncc(C)c(OC)c1C ZINC000170615918 563908483 /nfs/dbraw/zinc/90/84/83/563908483.db2.gz JTOBSJIPDDZKNT-HTAPYJJXSA-N 0 0 317.454 4.107 50 0 DIAARN O=C(c1ccc(Br)s1)c1coc2ccc(O)cc12 ZINC000170622185 563908790 /nfs/dbraw/zinc/90/87/90/563908790.db2.gz UAUZGYISZKFLKT-UHFFFAOYSA-N 0 0 323.167 4.193 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)C1(C)C ZINC000170630930 563908947 /nfs/dbraw/zinc/90/89/47/563908947.db2.gz VHXQRCXATDGOSM-HZMVEIRTSA-N 0 0 321.505 4.182 50 0 DIAARN COC(=O)c1ccc([C@H](C)SC2=Nc3ccccc3C2)o1 ZINC000170631390 563908998 /nfs/dbraw/zinc/90/89/98/563908998.db2.gz VQJNXULBRFUIET-JTQLQIEISA-N 0 0 301.367 4.147 50 0 DIAARN CC(C)C[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000071283528 563909113 /nfs/dbraw/zinc/90/91/13/563909113.db2.gz JMAWOAJSYFEYEU-GFCCVEGCSA-N 0 0 305.422 4.193 50 0 DIAARN C[C@@H](NC(=O)NCc1ccccc1F)c1cc2ccccc2o1 ZINC000010036739 563909239 /nfs/dbraw/zinc/90/92/39/563909239.db2.gz OZZJRXGMTOKKHG-GFCCVEGCSA-N 0 0 312.344 4.132 50 0 DIAARN O=C(CSc1ccccc1)Nc1ccc2ncsc2c1 ZINC000010217337 563909272 /nfs/dbraw/zinc/90/92/72/563909272.db2.gz JTSWIYQSVNNEPB-UHFFFAOYSA-N 0 0 300.408 4.027 50 0 DIAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccsc1 ZINC000013698122 563909875 /nfs/dbraw/zinc/90/98/75/563909875.db2.gz CUTAWXJFUUBDPV-UHFFFAOYSA-N 0 0 307.418 4.274 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1Br ZINC000013746064 563910083 /nfs/dbraw/zinc/91/00/83/563910083.db2.gz FRKJRKPEXLHWHR-JQWIXIFHSA-N 0 0 311.223 4.149 50 0 DIAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C)CC1 ZINC000014396620 563910596 /nfs/dbraw/zinc/91/05/96/563910596.db2.gz WTZUPWMNXKKAMF-OAHLLOKOSA-N 0 0 303.446 4.010 50 0 DIAARN COc1ccccc1C(=O)N(c1nc(C)cs1)c1ccccc1 ZINC000014586805 563910681 /nfs/dbraw/zinc/91/06/81/563910681.db2.gz ALZYFQCSUOMPCA-UHFFFAOYSA-N 0 0 324.405 4.439 50 0 DIAARN CC(C)(C)CN(Cc1nccn1C(F)F)c1ccc(F)cc1 ZINC000089643032 563910929 /nfs/dbraw/zinc/91/09/29/563910929.db2.gz PLFITDNUHRKNFP-UHFFFAOYSA-N 0 0 311.351 4.470 50 0 DIAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccoc1 ZINC000089646866 563910943 /nfs/dbraw/zinc/91/09/43/563910943.db2.gz ASGSXFKJOVVJKV-UHFFFAOYSA-N 0 0 316.357 4.187 50 0 DIAARN COCCCCNc1ccc(Cl)cc1OCC(F)(F)F ZINC000089660566 563910959 /nfs/dbraw/zinc/91/09/59/563910959.db2.gz ICDAMZURGSDAAI-UHFFFAOYSA-N 0 0 311.731 4.120 50 0 DIAARN Cc1nccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000089735803 563911066 /nfs/dbraw/zinc/91/10/66/563911066.db2.gz HBLINZUTSZMAAR-UHFFFAOYSA-N 0 0 323.343 4.382 50 0 DIAARN O=C(NCCc1cccc2ccccc21)c1scnc1C1CC1 ZINC000089737682 563911112 /nfs/dbraw/zinc/91/11/12/563911112.db2.gz NVIPNQRANZXEHI-UHFFFAOYSA-N 0 0 322.433 4.146 50 0 DIAARN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000089774592 563911366 /nfs/dbraw/zinc/91/13/66/563911366.db2.gz LHKULIIYYBBOJO-LSDHHAIUSA-N 0 0 317.841 4.090 50 0 DIAARN CC(C)=CCSc1ccccc1C(=O)NCc1cscn1 ZINC000076020773 563911610 /nfs/dbraw/zinc/91/16/10/563911610.db2.gz NCUYGBRBPPULFU-UHFFFAOYSA-N 0 0 318.467 4.131 50 0 DIAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)C2CC=CC2)n1 ZINC000076042867 563911930 /nfs/dbraw/zinc/91/19/30/563911930.db2.gz IBKBWXJLBLBWOY-CQSZACIVSA-N 0 0 318.486 4.460 50 0 DIAARN COc1ccc(Cl)cc1C(=O)N1CCC2(C1)CCCCC2 ZINC000076041013 563911939 /nfs/dbraw/zinc/91/19/39/563911939.db2.gz VMAMJRQKGNUUSX-UHFFFAOYSA-N 0 0 307.821 4.145 50 0 DIAARN CC(C)c1cc(N2CCc3sccc3C2)nc(C(C)C)n1 ZINC000089893316 563911975 /nfs/dbraw/zinc/91/19/75/563911975.db2.gz KXOCUROXQAJAEP-UHFFFAOYSA-N 0 0 301.459 4.348 50 0 DIAARN CC(C)Oc1ccc(CNc2ccccc2-n2cccn2)cc1 ZINC000089888040 563911984 /nfs/dbraw/zinc/91/19/84/563911984.db2.gz YOVWLAWKWYTIEK-UHFFFAOYSA-N 0 0 307.397 4.272 50 0 DIAARN Cc1cccc(-c2noc(-c3ccc(Br)o3)n2)c1 ZINC000000204095 563912702 /nfs/dbraw/zinc/91/27/02/563912702.db2.gz HBNZAZPWBSWAOS-UHFFFAOYSA-N 0 0 305.131 4.068 50 0 DIAARN CC(C)CNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000076454664 563912788 /nfs/dbraw/zinc/91/27/88/563912788.db2.gz BJJQKEHDVFWKSK-OAHLLOKOSA-N 0 0 320.483 4.123 50 0 DIAARN Cc1cc(C)nc(Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000000150115 563912857 /nfs/dbraw/zinc/91/28/57/563912857.db2.gz KFGVDKNSEBYOED-UHFFFAOYSA-N 0 0 305.381 4.416 50 0 DIAARN COc1cc(C=O)cc(Cl)c1OC/C=C/c1ccccc1 ZINC000002874589 563913100 /nfs/dbraw/zinc/91/31/00/563913100.db2.gz ROJIEATUECEHHY-VMPITWQZSA-N 0 0 302.757 4.253 50 0 DIAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000002872108 563913152 /nfs/dbraw/zinc/91/31/52/563913152.db2.gz OYYWTFBXXDZZAK-UHFFFAOYSA-N 0 0 313.250 4.105 50 0 DIAARN CCO[C@H]1C[C@H](N(C)C(=O)CC2=CCCCC2)C12CCCC2 ZINC000170636787 563913749 /nfs/dbraw/zinc/91/37/49/563913749.db2.gz LKIJCCAINFLVIQ-IRXDYDNUSA-N 0 0 305.462 4.073 50 0 DIAARN Cc1ccc(C)c(-c2nn(CC3CC3)c(=O)c3ccccc32)c1 ZINC000170637939 563913760 /nfs/dbraw/zinc/91/37/60/563913760.db2.gz ITMLKCQHQOCLIH-UHFFFAOYSA-N 0 0 304.393 4.090 50 0 DIAARN CCCCc1noc(CN2CCC[C@H]2c2cccc(C)c2C)n1 ZINC000170639778 563913842 /nfs/dbraw/zinc/91/38/42/563913842.db2.gz CRFTUFRKYISTMA-KRWDZBQOSA-N 0 0 313.445 4.366 50 0 DIAARN CC(C)[C@@H](CCNC(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000002098618 563913880 /nfs/dbraw/zinc/91/38/80/563913880.db2.gz MFCOUHMZEYYAKV-HUUCEWRRSA-N 0 0 323.502 4.345 50 0 biogenic DIAARN Cc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1C ZINC000002118831 563914667 /nfs/dbraw/zinc/91/46/67/563914667.db2.gz FXGUVMWPHLTZSL-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN CCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000252444533 563914841 /nfs/dbraw/zinc/91/48/41/563914841.db2.gz XKGXOYNSRRMZPC-JKIFEVAISA-N 0 0 304.434 4.024 50 0 DIAARN Cc1cc2oc(=O)cc(CNc3cccc(C)c3C)c2cc1O ZINC000002126053 563914850 /nfs/dbraw/zinc/91/48/50/563914850.db2.gz JWYHLCBGQOKZHP-UHFFFAOYSA-N 0 0 309.365 4.036 50 0 biogenic DIAARN CC(C)=CCCC(C)=C=CC(C)(C)COC(=O)CN1CCCC1 ZINC000002129675 563915211 /nfs/dbraw/zinc/91/52/11/563915211.db2.gz WNBOVRCECFAZEQ-UHFFFAOYSA-N 0 0 319.489 4.499 50 0 biogenic DIAARN Cc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)c(C)c1 ZINC000007595991 563915434 /nfs/dbraw/zinc/91/54/34/563915434.db2.gz IVQPJLQULZVGMP-UHFFFAOYSA-N 0 0 324.811 4.229 50 0 DIAARN Cc1cccc(OCC(=O)N[C@@H](C)c2ccccc2Cl)c1C ZINC000007597496 563915636 /nfs/dbraw/zinc/91/56/36/563915636.db2.gz HFJRBIYMWMZPJA-AWEZNQCLSA-N 0 0 317.816 4.213 50 0 DIAARN CC(C)C(=O)N[C@@H](c1nc2ccccc2n1C(C)C)C(C)C ZINC000252478728 563915764 /nfs/dbraw/zinc/91/57/64/563915764.db2.gz ATURWLTWQBOMIG-MRXNPFEDSA-N 0 0 301.434 4.087 50 0 DIAARN O=C(c1coc(C2CCC2)n1)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000252494210 563916196 /nfs/dbraw/zinc/91/61/96/563916196.db2.gz NOLQXQMHNAGDKO-CJNGLKHVSA-N 0 0 302.418 4.127 50 0 DIAARN C[C@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1nc(C(C)(C)C)cs1 ZINC000170644800 563916549 /nfs/dbraw/zinc/91/65/49/563916549.db2.gz QNRVGNUFCRYPJL-AGIUHOORSA-N 0 0 323.506 4.332 50 0 DIAARN O=C(c1csc(C2CC2)n1)N1CCCC[C@@H]2CCCC[C@@H]21 ZINC000252550175 563917081 /nfs/dbraw/zinc/91/70/81/563917081.db2.gz SDPHEUDZCFOGNL-WFASDCNBSA-N 0 0 304.459 4.205 50 0 DIAARN Cc1ccc(C)c(OCCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000007608755 563917199 /nfs/dbraw/zinc/91/71/99/563917199.db2.gz WZONRPHQFXBCSJ-UHFFFAOYSA-N 0 0 317.816 4.042 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)/C=C\c2c(F)cccc2Cl)[C@H]1C ZINC000252597483 563917455 /nfs/dbraw/zinc/91/74/55/563917455.db2.gz CRIVOBJCBMEMDD-YICHQHMBSA-N 0 0 309.812 4.433 50 0 DIAARN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC(C)(C)C ZINC000007630900 563917556 /nfs/dbraw/zinc/91/75/56/563917556.db2.gz KASLUBDDAUMHSQ-QMMMGPOBSA-N 0 0 306.258 4.389 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1ccccc1OC(F)F ZINC000007653043 563917742 /nfs/dbraw/zinc/91/77/42/563917742.db2.gz FNCDAZKRXWTHGQ-UHFFFAOYSA-N 0 0 305.324 4.411 50 0 DIAARN C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000007671683 563917843 /nfs/dbraw/zinc/91/78/43/563917843.db2.gz KLGIDXITCHEVTC-JTQLQIEISA-N 0 0 301.292 4.202 50 0 DIAARN Cc1nccc(C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)C)n1 ZINC000194770093 563918040 /nfs/dbraw/zinc/91/80/40/563918040.db2.gz MWHPRGJFGWWVMB-UHFFFAOYSA-N 0 0 324.211 4.147 50 0 DIAARN COc1cccc(C(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000007706487 563918099 /nfs/dbraw/zinc/91/80/99/563918099.db2.gz BCTZZPLTYSVTBI-GOSISDBHSA-N 0 0 323.417 4.276 50 0 DIAARN Fc1cccc([C@@H]2c3cccn3CCCN2Cc2ccco2)c1 ZINC000037522977 563918230 /nfs/dbraw/zinc/91/82/30/563918230.db2.gz YSSKLJFKOSXEAR-LJQANCHMSA-N 0 0 310.372 4.216 50 0 DIAARN Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)o1 ZINC000007735667 563918591 /nfs/dbraw/zinc/91/85/91/563918591.db2.gz JMYFWGNYCNRIIG-UHFFFAOYSA-N 0 0 313.353 4.190 50 0 DIAARN COc1cc(C)ccc1Oc1nc2cc(C)nn2c2ccccc21 ZINC000007737829 563918663 /nfs/dbraw/zinc/91/86/63/563918663.db2.gz UXRZEOCRIGBGHW-UHFFFAOYSA-N 0 0 319.364 4.300 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1C ZINC000007756721 563918757 /nfs/dbraw/zinc/91/87/57/563918757.db2.gz PVVVUICCIPYINW-OCCSQVGLSA-N 0 0 300.427 4.330 50 0 DIAARN Cc1ccc2cc(NC(=S)NCc3ccccc3)ccc2n1 ZINC000002212134 563918861 /nfs/dbraw/zinc/91/88/61/563918861.db2.gz QBKRFTJFVFRKSY-UHFFFAOYSA-N 0 0 307.422 4.030 50 0 DIAARN Clc1cc(Cl)cc(N[C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195112569 563918941 /nfs/dbraw/zinc/91/89/41/563918941.db2.gz WAGMYYAHFAPHHD-CQSZACIVSA-N 0 0 319.195 4.313 50 0 DIAARN Cc1nc2ccccc2c(S[C@@H](C)C(=O)c2ccccc2)n1 ZINC000007777261 563919060 /nfs/dbraw/zinc/91/90/60/563919060.db2.gz OIHVQHWPJMBOJW-LBPRGKRZSA-N 0 0 308.406 4.302 50 0 DIAARN C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)cc3F)cc2C1 ZINC000007781387 563919300 /nfs/dbraw/zinc/91/93/00/563919300.db2.gz FADPNTLSSPCENZ-SECBINFHSA-N 0 0 307.365 4.403 50 0 DIAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CCCC1 ZINC000007793010 563919517 /nfs/dbraw/zinc/91/95/17/563919517.db2.gz PPPGHSOWKNNCSG-UHFFFAOYSA-N 0 0 312.438 4.428 50 0 DIAARN CCOC(=O)c1c2c(sc1-n1c(C)ccc1C)C[C@@H](C)CC2 ZINC000001006266 563920445 /nfs/dbraw/zinc/92/04/45/563920445.db2.gz FYKCCIHJNYJOMH-NSHDSACASA-N 0 0 317.454 4.457 50 0 DIAARN CCOC(=O)c1c2c(sc1-n1c(C)ccc1C)C[C@H](C)CC2 ZINC000001006267 563920499 /nfs/dbraw/zinc/92/04/99/563920499.db2.gz FYKCCIHJNYJOMH-LLVKDONJSA-N 0 0 317.454 4.457 50 0 DIAARN Cc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000007917349 563920568 /nfs/dbraw/zinc/92/05/68/563920568.db2.gz DBQAEUKVNBJZID-ZDUSSCGKSA-N 0 0 313.426 4.300 50 0 DIAARN CCn1cc(SCC(=O)Nc2ccccc2)c2ccccc21 ZINC000000425872 563920573 /nfs/dbraw/zinc/92/05/73/563920573.db2.gz GGVORHLVFJNBQX-UHFFFAOYSA-N 0 0 310.422 4.392 50 0 DIAARN C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1 ZINC000007917101 563920578 /nfs/dbraw/zinc/92/05/78/563920578.db2.gz ARLAXTLBCSEUSX-NSHDSACASA-N 0 0 317.389 4.130 50 0 DIAARN COc1nc2c(C)cccc2cc1-c1noc(-c2ccccc2)n1 ZINC000002238430 563920730 /nfs/dbraw/zinc/92/07/30/563920730.db2.gz BSZHMPZNPHGDDD-UHFFFAOYSA-N 0 0 317.348 4.269 50 0 DIAARN Cc1ccc(-c2nc3c(c(=S)[nH]2)Cc2ccccc2O3)cc1 ZINC000002691195 563920740 /nfs/dbraw/zinc/92/07/40/563920740.db2.gz YXKAVURRSRAOIB-UHFFFAOYSA-N 0 0 306.390 4.437 50 0 DIAARN c1cnn(Cc2cccc(CNc3nc4ccccc4s3)c2)c1 ZINC000054837028 563920788 /nfs/dbraw/zinc/92/07/88/563920788.db2.gz AAHGBSJHSVHOTC-UHFFFAOYSA-N 0 0 320.421 4.153 50 0 DIAARN C(=C\c1ccc(-c2cn3ccccc3n2)cc1)\C1=NCCS1 ZINC000027429373 563920826 /nfs/dbraw/zinc/92/08/26/563920826.db2.gz DRDGGCSPTPMVOL-TWGQIWQCSA-N 0 0 305.406 4.160 50 0 DIAARN CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000027517779 563920909 /nfs/dbraw/zinc/92/09/09/563920909.db2.gz GQHYKMYMSVJXJM-WPVAHCMFSA-N 0 0 300.442 4.389 50 0 in-vitro DIAARN Cc1ccc(Nc2ncnc3c2ncn3-c2cccc(C)c2)cc1 ZINC000019926110 563923747 /nfs/dbraw/zinc/92/37/47/563923747.db2.gz YFSWTYGETJITFC-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN CCCNC(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000019878349 563923749 /nfs/dbraw/zinc/92/37/49/563923749.db2.gz PUFNVXYGHWQWEK-UHFFFAOYSA-N 0 0 308.175 4.101 50 0 DIAARN O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000001867111 563924898 /nfs/dbraw/zinc/92/48/98/563924898.db2.gz HHZMCOMNTKMOPN-UHFFFAOYSA-N 0 0 310.374 4.121 50 0 DIAARN O=C(c1scnc1C1CC1)N1CCCC[C@H]2CCCC[C@H]21 ZINC000253393720 563924961 /nfs/dbraw/zinc/92/49/61/563924961.db2.gz BCQIEUJZBNKBJO-TZMCWYRMSA-N 0 0 304.459 4.205 50 0 DIAARN Cc1ccc2c(c1)c1ncn(CCC3=CCCCC3)c(=O)c1n2C ZINC000002338511 563926093 /nfs/dbraw/zinc/92/60/93/563926093.db2.gz MMNNGDAQHWQLNC-UHFFFAOYSA-N 0 0 321.424 4.087 50 0 DIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)Nc1cccs1 ZINC000253472619 563926470 /nfs/dbraw/zinc/92/64/70/563926470.db2.gz NXNRKYCTKCMQBW-LLVKDONJSA-N 0 0 300.383 4.247 50 0 DIAARN COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000000581755 563927179 /nfs/dbraw/zinc/92/71/79/563927179.db2.gz HUUVZUHGPWLYJR-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN Cc1ccc([C@H](CC(=O)NCc2ccco2)c2ccco2)cc1 ZINC000002356683 563927247 /nfs/dbraw/zinc/92/72/47/563927247.db2.gz ZNWQLZOANJQIBK-KRWDZBQOSA-N 0 0 309.365 4.019 50 0 DIAARN CC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000067801305 563928175 /nfs/dbraw/zinc/92/81/75/563928175.db2.gz CKWJIFNNVRMXFW-UHFFFAOYSA-N 0 0 314.223 4.209 50 0 DIAARN Cc1nn2c(nc(C)cc2N2CCCCC2)c1-c1ccccc1 ZINC000002429971 563928488 /nfs/dbraw/zinc/92/84/88/563928488.db2.gz OBSGQVDNNQIQDX-UHFFFAOYSA-N 0 0 306.413 4.003 50 0 DIAARN O=C(OCc1ccc(-c2ccccc2)cc1)c1cccc(O)c1 ZINC000012818258 563928936 /nfs/dbraw/zinc/92/89/36/563928936.db2.gz YNFUVNBVMWWFOS-UHFFFAOYSA-N 0 0 304.345 4.416 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1csc(-c2ccsc2)n1 ZINC000007951504 563929338 /nfs/dbraw/zinc/92/93/38/563929338.db2.gz APCZIXQGAQQLDZ-UHFFFAOYSA-N 0 0 322.361 4.402 50 0 DIAARN CCC[C@H](NC(=O)c1csc(C)n1)c1ccc(F)cc1F ZINC000079102253 563930365 /nfs/dbraw/zinc/93/03/65/563930365.db2.gz BCRNAOBWSVCERD-ZDUSSCGKSA-N 0 0 310.369 4.001 50 0 DIAARN Cc1ccc(N(C)Cc2nccn2Cc2ccccc2)c(C)c1 ZINC000095360783 563931067 /nfs/dbraw/zinc/93/10/67/563931067.db2.gz IZWUQCKMXRBZPN-UHFFFAOYSA-N 0 0 305.425 4.185 50 0 DIAARN CCO[C@]1(C)Nc2ccc(Br)cc2N1C(C)(C)C ZINC000095629694 563931706 /nfs/dbraw/zinc/93/17/06/563931706.db2.gz MAFRHHOYEOYANK-CQSZACIVSA-N 0 0 313.239 4.190 50 0 DIAARN CCc1cccc(C)c1Nc1nnc(SCC(C)(C)O)s1 ZINC000095947681 563932124 /nfs/dbraw/zinc/93/21/24/563932124.db2.gz ZXWJXENYZOQWRB-UHFFFAOYSA-N 0 0 323.487 4.016 50 0 DIAARN CCOCC1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000095959025 563932316 /nfs/dbraw/zinc/93/23/16/563932316.db2.gz LNLKYZMCKHYEMN-WBVHZDCISA-N 0 0 309.494 4.114 50 0 DIAARN CN(Cc1cccnc1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 ZINC000095955470 563932318 /nfs/dbraw/zinc/93/23/18/563932318.db2.gz XLKNIJHNBSEQGC-UHFFFAOYSA-N 0 0 322.452 4.069 50 0 DIAARN CCOCC1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000095959023 563932421 /nfs/dbraw/zinc/93/24/21/563932421.db2.gz LNLKYZMCKHYEMN-RDJZCZTQSA-N 0 0 309.494 4.114 50 0 DIAARN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)C1CC1 ZINC000095960723 563932576 /nfs/dbraw/zinc/93/25/76/563932576.db2.gz UKFHWCWVSGJLQD-JTQLQIEISA-N 0 0 305.374 4.272 50 0 DIAARN CCC(CC)(NC(=O)c1oc(C)nc1C)c1ccc(Cl)cc1 ZINC000095961731 563932601 /nfs/dbraw/zinc/93/26/01/563932601.db2.gz LPIMWTQYRVFJSQ-UHFFFAOYSA-N 0 0 320.820 4.390 50 0 DIAARN O=C1NCC[C@@H]1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000095971776 563933431 /nfs/dbraw/zinc/93/34/31/563933431.db2.gz WGALHKDXVVZRPS-HOTGVXAUSA-N 0 0 317.841 4.051 50 0 DIAARN CCc1nc2sccc2c(N[C@H](CC)c2nccs2)n1 ZINC000095975945 563933631 /nfs/dbraw/zinc/93/36/31/563933631.db2.gz WCLJZLPNHNYGMA-SNVBAGLBSA-N 0 0 304.444 4.273 50 0 DIAARN COC1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000095975037 563933687 /nfs/dbraw/zinc/93/36/87/563933687.db2.gz SFEQGQWRQUKZNP-UZROPOIGSA-N 0 0 307.478 4.009 50 0 DIAARN Cc1cccc2c1N(Cc1ccc(Oc3cnccn3)cc1)CC2 ZINC000096003706 563934651 /nfs/dbraw/zinc/93/46/51/563934651.db2.gz ILFLHQSYJDZIBY-UHFFFAOYSA-N 0 0 317.392 4.140 50 0 DIAARN CCOc1c(OC)cc(CN(C)c2cccc(C)c2)cc1OC ZINC000096003671 563934721 /nfs/dbraw/zinc/93/47/21/563934721.db2.gz DSFZHWATQRBMHN-UHFFFAOYSA-N 0 0 315.413 4.047 50 0 DIAARN Cc1noc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2occc21 ZINC000096011997 563934806 /nfs/dbraw/zinc/93/48/06/563934806.db2.gz VRXGLLZLEAOWBL-HNNXBMFYSA-N 0 0 322.364 4.050 50 0 DIAARN O=C(N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21)c1ccco1 ZINC000096117307 563935508 /nfs/dbraw/zinc/93/55/08/563935508.db2.gz HFGOXLQHQIBSNZ-CYBMUJFWSA-N 0 0 314.772 4.222 50 0 DIAARN O=C(NCc1ccco1)c1ccc(Oc2ccccc2Cl)o1 ZINC000096182538 563935823 /nfs/dbraw/zinc/93/58/23/563935823.db2.gz MYIMCCXFOVXKQR-UHFFFAOYSA-N 0 0 317.728 4.248 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 ZINC000096182990 563935874 /nfs/dbraw/zinc/93/58/74/563935874.db2.gz CGGDTDHDBXQOIL-UHFFFAOYSA-N 0 0 323.396 4.259 50 0 DIAARN CCC(CC)C(=O)Nc1cccnc1SCc1ccccn1 ZINC000096231400 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50 0 DIAARN CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cccs1 ZINC000048646004 1042020285 /nfs/dbraw/zinc/02/02/85/1042020285.db2.gz YYXMHSUOENYYEU-CYBMUJFWSA-N 0 0 306.456 4.029 50 0 DIAARN COc1cccc(C=NNc2ccnc3cc(Cl)ccc32)c1 ZINC000254294704 1042081620 /nfs/dbraw/zinc/08/16/20/1042081620.db2.gz RXMGBUGDYHCFTN-UHFFFAOYSA-N 0 0 311.772 4.343 50 0 DIAARN CC(=NN1[C@H](C)CCC[C@H]1C)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000254485509 1042087544 /nfs/dbraw/zinc/08/75/44/1042087544.db2.gz AXYKYOFNSMEQJL-GHMZBOCLSA-N 0 0 309.797 4.235 50 0 DIAARN CC(=NNC(=O)c1ccccc1Cl)c1cc2ccccc2o1 ZINC000254833382 1042098073 /nfs/dbraw/zinc/09/80/73/1042098073.db2.gz OKXOAWZIDZQEHK-UHFFFAOYSA-N 0 0 312.756 4.240 50 0 DIAARN COc1cc(N[C@@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000004981462 1042122356 /nfs/dbraw/zinc/12/23/56/1042122356.db2.gz KXRGVXSOLQFKGF-AWEZNQCLSA-N 0 0 315.413 4.146 50 0 DIAARN COc1cc(N[C@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000004981464 1042122529 /nfs/dbraw/zinc/12/25/29/1042122529.db2.gz KXRGVXSOLQFKGF-CQSZACIVSA-N 0 0 315.413 4.146 50 0 DIAARN CCOC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1Cl ZINC000263628727 1042137951 /nfs/dbraw/zinc/13/79/51/1042137951.db2.gz BMBSZWMUZKVHDO-UHFFFAOYSA-N 0 0 309.580 4.117 50 0 DIAARN Cc1coc(C(=O)N(Cc2ccccc2)c2ccncc2)c1C ZINC000585083681 1042201735 /nfs/dbraw/zinc/20/17/35/1042201735.db2.gz ICKUNXIQPHAXLW-UHFFFAOYSA-N 0 0 306.365 4.138 50 0 DIAARN CC(C)c1nc(-c2noc(/C=C/C3(C)CCOCC3)n2)cs1 ZINC000888102002 1042268458 /nfs/dbraw/zinc/26/84/58/1042268458.db2.gz XBYCQWMGASFCKB-SNAWJCMRSA-N 0 0 319.430 4.146 50 0 DIAARN Cc1cscc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000239667692 1042388472 /nfs/dbraw/zinc/38/84/72/1042388472.db2.gz BRLHFMXNRSYOGB-SNVBAGLBSA-N 0 0 306.353 4.251 50 0 DIAARN CN(Cc1cscn1)Cc1ccccc1OC1CCCC1 ZINC000120204369 1042577315 /nfs/dbraw/zinc/57/73/15/1042577315.db2.gz UOFQIOUOVAIHRW-UHFFFAOYSA-N 0 0 302.443 4.097 50 0 DIAARN C[C@@H](Cc1ccco1)NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000044444289 1042893464 /nfs/dbraw/zinc/89/34/64/1042893464.db2.gz GWBOYQHYXXFWGJ-JTQLQIEISA-N 0 0 312.291 4.051 50 0 DIAARN Clc1ccc2c(Br)nc(Br)cc2c1 ZINC000299804113 1042951161 /nfs/dbraw/zinc/95/11/61/1042951161.db2.gz ZYTRQGGTNSQLFE-UHFFFAOYSA-N 0 0 321.399 4.413 50 0 DIAARN Cc1noc(CN[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 ZINC000073644912 1042952409 /nfs/dbraw/zinc/95/24/09/1042952409.db2.gz XVXRGLBITXCTBO-KRWDZBQOSA-N 0 0 301.434 4.162 50 0 DIAARN Fc1cc(/C=C/c2nc3ccccc3o2)ccc1-n1ccnc1 ZINC000025061149 1042975230 /nfs/dbraw/zinc/97/52/30/1042975230.db2.gz IZPYHJRVFHGJSH-SOFGYWHQSA-N 0 0 305.312 4.323 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2cccs2)C1 ZINC000827907499 1043155335 /nfs/dbraw/zinc/15/53/35/1043155335.db2.gz ZPVOOXGPCLMUPE-NSHDSACASA-N 0 0 323.820 4.099 50 0 DIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)cc(F)c1 ZINC000012872480 1044242315 /nfs/dbraw/zinc/24/23/15/1044242315.db2.gz AXGLBZLPRTXUPW-MRXNPFEDSA-N 0 0 321.754 4.499 50 0 DIAARN COc1ccc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000126477186 1044354848 /nfs/dbraw/zinc/35/48/48/1044354848.db2.gz XYOLMDYTVVZLLI-QGZVFWFLSA-N 0 0 324.424 4.016 50 0 DIAARN O=C(Nc1cc(Cl)ccc1F)c1ccc2ncsc2c1 ZINC000014424440 1044481309 /nfs/dbraw/zinc/48/13/09/1044481309.db2.gz KZLNOTGUTWCCFQ-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CC(C)n1nccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000025050792 1044548493 /nfs/dbraw/zinc/54/84/93/1044548493.db2.gz SZYXFHODEHDCRM-UHFFFAOYSA-N 0 0 313.332 4.115 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1sccc1-n1cccc1 ZINC000025153300 1044548659 /nfs/dbraw/zinc/54/86/59/1044548659.db2.gz GDBHWHOUKDOPGK-UHFFFAOYSA-N 0 0 304.321 4.069 50 0 DIAARN CCc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000012938959 1044574223 /nfs/dbraw/zinc/57/42/23/1044574223.db2.gz UKLHYHDDKDCODK-UHFFFAOYSA-N 0 0 319.408 4.304 50 0 DIAARN O=c1[nH]c(C=Cc2ccc(Cl)c(Cl)c2)nc2ccccc12 ZINC000006909538 1044598266 /nfs/dbraw/zinc/59/82/66/1044598266.db2.gz OKRBUSCWFNXVKM-SOFGYWHQSA-N 0 0 317.175 4.400 50 0 DIAARN COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1OC ZINC000001952255 1044601809 /nfs/dbraw/zinc/60/18/09/1044601809.db2.gz CHWSDBZVTPDRME-RMKNXTFCSA-N 0 0 317.772 4.009 50 0 DIAARN O=C(c1cncc2ccccc21)c1c(F)c(F)c(F)c(F)c1F ZINC000045028934 1044609568 /nfs/dbraw/zinc/60/95/68/1044609568.db2.gz XRWMWRAGWCCQDH-UHFFFAOYSA-N 0 0 323.220 4.161 50 0 DIAARN CCc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000007724092 1044675996 /nfs/dbraw/zinc/67/59/96/1044675996.db2.gz QTDJFZAPZLSHCR-BUHFOSPRSA-N 0 0 302.377 4.449 50 0 DIAARN C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000007829555 1044680402 /nfs/dbraw/zinc/68/04/02/1044680402.db2.gz DBDRXMOWPKMTHM-NTYUQYKDSA-N 0 0 301.386 4.046 50 0 DIAARN C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000007829552 1044681175 /nfs/dbraw/zinc/68/11/75/1044681175.db2.gz DBDRXMOWPKMTHM-RPTYSRGTSA-N 0 0 301.386 4.046 50 0 DIAARN COc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1O ZINC000007914497 1044682472 /nfs/dbraw/zinc/68/24/72/1044682472.db2.gz XOUZIGRWTKJCBI-FLIBITNWSA-N 0 0 301.729 4.279 50 0 DIAARN Cc1ncc([C@@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)c(C)n1 ZINC000152104411 1044714297 /nfs/dbraw/zinc/71/42/97/1044714297.db2.gz ZSKAGJQJIUNGLO-ZMZPIMSZSA-N 0 0 317.383 4.174 50 0 DIAARN CN(C(=O)/C=C/c1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000027818405 1044745985 /nfs/dbraw/zinc/74/59/85/1044745985.db2.gz YOWBKXHTZJHAAS-IYPOZPNPSA-N 0 0 311.812 4.499 50 0 DIAARN COCc1ccc([C@@H]2CCCN2Cc2cccc(F)c2F)o1 ZINC000131069369 1044807351 /nfs/dbraw/zinc/80/73/51/1044807351.db2.gz NRZVBRNWZKTSJX-HNNXBMFYSA-N 0 0 307.340 4.041 50 0 DIAARN COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000009895025 1044814032 /nfs/dbraw/zinc/81/40/32/1044814032.db2.gz HWDHMEZOIJGIDP-HYSAVQALSA-N 0 0 307.393 4.072 50 0 DIAARN COc1ccc(/C=C\C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000005959144 1044983030 /nfs/dbraw/zinc/98/30/30/1044983030.db2.gz HKAZOTRJOGBNKM-YHYXMXQVSA-N 0 0 317.772 4.009 50 0 DIAARN O=C1Nc2ccccc2/C1=C\c1cc(OC(F)F)ccc1Cl ZINC000012561977 1045057179 /nfs/dbraw/zinc/05/71/79/1045057179.db2.gz LRAWUMILEZJEAK-XYOKQWHBSA-N 0 0 321.710 4.434 50 0 DIAARN Cc1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)O2)cc1 ZINC000104690862 1045083791 /nfs/dbraw/zinc/08/37/91/1045083791.db2.gz SYIYRXRPADSXJJ-ICFOKQHNSA-N 0 0 321.405 4.204 50 0 DIAARN CCC(C)(C)C1CCC(NC(=O)/C=C\c2cccnc2)CC1 ZINC000214967532 1045118253 /nfs/dbraw/zinc/11/82/53/1045118253.db2.gz RTXFFWSNJKJCHS-GHXNOFRVSA-N 0 0 300.446 4.206 50 0 DIAARN Cc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000012928281 1045123540 /nfs/dbraw/zinc/12/35/40/1045123540.db2.gz ITZCBPZUJJRHGG-VAWYXSNFSA-N 0 0 303.405 4.324 50 0 DIAARN Cn1nccc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1 ZINC000012972658 1045128564 /nfs/dbraw/zinc/12/85/64/1045128564.db2.gz JSMQWTONDHIWDE-CSKARUKUSA-N 0 0 301.349 4.399 50 0 DIAARN Fc1cc(/C=C\c2nc3ccccc3o2)ccc1-n1ccnc1 ZINC000048521022 1045232856 /nfs/dbraw/zinc/23/28/56/1045232856.db2.gz IZPYHJRVFHGJSH-VURMDHGXSA-N 0 0 305.312 4.323 50 0 DIAARN Fc1ccccc1-c1noc2c1CN(Cc1cccs1)CC2 ZINC000014965142 1045560636 /nfs/dbraw/zinc/56/06/36/1045560636.db2.gz RELACUTWZOXUKH-UHFFFAOYSA-N 0 0 314.385 4.101 50 0 DIAARN CN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl ZINC000015249196 1045561804 /nfs/dbraw/zinc/56/18/04/1045561804.db2.gz KLYAMDBUBSSJDR-AWEZNQCLSA-N 0 0 307.180 4.190 50 0 DIAARN O=C(c1ccco1)N1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014994191 1045562203 /nfs/dbraw/zinc/56/22/03/1045562203.db2.gz BQGNLJAEWICMSV-LJQANCHMSA-N 0 0 319.360 4.056 50 0 DIAARN CC[C@H](C)Oc1cccc(N[C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000280239262 1045575319 /nfs/dbraw/zinc/57/53/19/1045575319.db2.gz VXVTVKPWBKVZPU-KSSFIOAISA-N 0 0 322.412 4.184 50 0 DIAARN CCc1nc(C)c([C@@H](C)N(C)Cc2ccccc2OC)s1 ZINC000093612580 1046635383 /nfs/dbraw/zinc/63/53/83/1046635383.db2.gz CHYIXMQTIMZNMO-CYBMUJFWSA-N 0 0 304.459 4.216 50 0 DIAARN Cc1ccccc1[C@H](NCc1noc(-c2ccoc2)n1)C(C)C ZINC000095985098 1046804542 /nfs/dbraw/zinc/80/45/42/1046804542.db2.gz QGWDZMISXJEWTJ-QGZVFWFLSA-N 0 0 311.385 4.125 50 0 DIAARN COc1ccccc1NC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000096557063 1046917411 /nfs/dbraw/zinc/91/74/11/1046917411.db2.gz RPFSZJXNIAIUGA-KTKRTIGZSA-N 0 0 321.298 4.366 50 0 DIAARN Cc1ccnc(NC(=O)c2scnc2C(C)C)c1C1CC1 ZINC000622925488 1047092675 /nfs/dbraw/zinc/09/26/75/1047092675.db2.gz GAAVQCZODNQVMD-UHFFFAOYSA-N 0 0 301.415 4.100 50 0 DIAARN O=C(/C=C\c1ccsc1)NCc1ccc(C(F)(F)F)cc1 ZINC000098001079 1047116341 /nfs/dbraw/zinc/11/63/41/1047116341.db2.gz QQOFCVXUTNPWFK-UTCJRWHESA-N 0 0 311.328 4.097 50 0 DIAARN CCn1c2ccccc2nc1NC(=O)/C=C\c1ccccc1C ZINC000098001942 1047116512 /nfs/dbraw/zinc/11/65/12/1047116512.db2.gz DYVNZLVFJVFQBQ-SEYXRHQNSA-N 0 0 305.381 4.017 50 0 DIAARN Fc1cccc(F)c1C=NNc1ncc(Cl)cc1Cl ZINC000254346611 1047193479 /nfs/dbraw/zinc/19/34/79/1047193479.db2.gz AWADBUGNSCAPPH-UHFFFAOYSA-N 0 0 302.111 4.113 50 0 DIAARN c1ccc2c(c1)cnnc2N=NC1CCCCc2ccccc21 ZINC000254391667 1047202209 /nfs/dbraw/zinc/20/22/09/1047202209.db2.gz PSXZQOBAWZCBPV-UHFFFAOYSA-N 0 0 302.381 4.172 50 0 DIAARN CC(N=Nc1ccccc1F)c1nc2ccccc2n1C(F)F ZINC000254558109 1047224230 /nfs/dbraw/zinc/22/42/30/1047224230.db2.gz FOSRDKKAYJZXCF-UHFFFAOYSA-N 0 0 318.302 4.407 50 0 DIAARN COc1ccccc1C=NNc1ccnc2cc(Cl)ccc21 ZINC000254712329 1047233819 /nfs/dbraw/zinc/23/38/19/1047233819.db2.gz AYXZGAJJBUIRIV-UHFFFAOYSA-N 0 0 311.772 4.343 50 0 DIAARN COc1ccc(C(C)N=Nc2ncc(Cl)cc2Cl)cc1 ZINC000254818398 1047246602 /nfs/dbraw/zinc/24/66/02/1047246602.db2.gz LNPFLEJVYKOQCQ-UHFFFAOYSA-N 0 0 310.184 4.233 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2sc3nccc(C)c3c2N)c1 ZINC000388515598 1047287135 /nfs/dbraw/zinc/28/71/35/1047287135.db2.gz PPCICWPYJWDZRX-UHFFFAOYSA-N 0 0 311.410 4.056 50 0 DIAARN O=C1OC(c2ccco2)=N/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000000462234 1047341829 /nfs/dbraw/zinc/34/18/29/1047341829.db2.gz UVNXECCLKTZWKW-GXDHUFHOSA-N 0 0 323.279 4.023 50 0 DIAARN COc1cc2c(cc1NC(=O)CCSC)oc1ccccc12 ZINC000007971215 1047516339 /nfs/dbraw/zinc/51/63/39/1047516339.db2.gz ZXYTZGRWZQOHGC-UHFFFAOYSA-N 0 0 315.394 4.286 50 0 DIAARN O=C(/C=C\c1ccccn1)Nc1ccccc1OC1CCCC1 ZINC000098055049 1048110155 /nfs/dbraw/zinc/11/01/55/1048110155.db2.gz NNTVNERXIHNABT-SEYXRHQNSA-N 0 0 308.381 4.055 50 0 DIAARN CCc1ccccc1NC(=O)N1C[C@H](CC)Oc2ccccc21 ZINC000006844900 1048262989 /nfs/dbraw/zinc/26/29/89/1048262989.db2.gz MPMDUXNCPDATDX-HNNXBMFYSA-N 0 0 310.397 4.459 50 0 DIAARN Cc1ccc(SCC(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000006916911 1048502498 /nfs/dbraw/zinc/50/24/98/1048502498.db2.gz DHKHDZZUSYCYIF-UHFFFAOYSA-N 0 0 300.379 4.007 50 0 DIAARN O=C(CCSCCc1ccccn1)Nc1ccccc1Cl ZINC000006920073 1048504942 /nfs/dbraw/zinc/50/49/42/1048504942.db2.gz JCINDRQUASBWCJ-UHFFFAOYSA-N 0 0 320.845 4.040 50 0 DIAARN CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000065170485 1048535788 /nfs/dbraw/zinc/53/57/88/1048535788.db2.gz UWQQHHOCLUFJLH-UHFFFAOYSA-N 0 0 316.832 4.455 50 0 DIAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)C3CCCC3)n2c1 ZINC000006971071 1048542285 /nfs/dbraw/zinc/54/22/85/1048542285.db2.gz JVICTQOARIHZES-UHFFFAOYSA-N 0 0 319.408 4.438 50 0 DIAARN CC(C)CCNc1nnc(-c2nc(C3CC3)no2)c2ccccc21 ZINC000065258240 1048580458 /nfs/dbraw/zinc/58/04/58/1048580458.db2.gz BQTQXZFQOMJZIH-UHFFFAOYSA-N 0 0 323.400 4.015 50 0 DIAARN COc1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000007037006 1048580631 /nfs/dbraw/zinc/58/06/31/1048580631.db2.gz IQLIQVTUBDUIHQ-LJQANCHMSA-N 0 0 311.425 4.141 50 0 DIAARN COC(=O)c1ccc(CSc2nc3ccccc3s2)s1 ZINC000036612094 1048582221 /nfs/dbraw/zinc/58/22/21/1048582221.db2.gz BJMSGOXJVZPKOE-UHFFFAOYSA-N 0 0 321.448 4.437 50 0 DIAARN COc1ccc2cc(C=C3SC(=S)NC3=O)ccc2c1 ZINC000056687087 1050036235 /nfs/dbraw/zinc/03/62/35/1050036235.db2.gz KZTUXSWVROHDIU-NTUHNPAUSA-N 0 0 301.392 4.178 50 0 DIAARN COCC1(CNC(=O)c2ccccc2-c2ccccc2C)CCC1 ZINC000824346765 1050226527 /nfs/dbraw/zinc/22/65/27/1050226527.db2.gz DQCRATBVGPTLES-UHFFFAOYSA-N 0 0 323.436 4.209 50 0 DIAARN O=C(Nc1ccc2scnc2c1)C1=Cc2ccccc2OC=C1 ZINC000827682851 1050438389 /nfs/dbraw/zinc/43/83/89/1050438389.db2.gz HKLKTKSHDVLECK-UHFFFAOYSA-N 0 0 320.373 4.225 50 0 DIAARN O=C(Nc1ccc([C@@H](O)c2cccs2)cc1)C1CCCCC1 ZINC000827726736 1050447473 /nfs/dbraw/zinc/44/74/73/1050447473.db2.gz CLQLELRYEWPMFM-QGZVFWFLSA-N 0 0 315.438 4.349 50 0 DIAARN O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)C1CCCCC1 ZINC000827726874 1050447753 /nfs/dbraw/zinc/44/77/53/1050447753.db2.gz SAJUYWFDQYYLHZ-GOSISDBHSA-N 0 0 317.429 4.153 50 0 DIAARN CC[C@H](C(=O)NCC(c1ccco1)c1ccco1)c1ccccc1 ZINC000669520502 1050482522 /nfs/dbraw/zinc/48/25/22/1050482522.db2.gz VLNTVFKYDLSJML-INIZCTEOSA-N 0 0 323.392 4.315 50 0 DIAARN Cc1nc(NCC2CC2)sc1-c1ccn(-c2ccccc2)n1 ZINC000200587256 1050516413 /nfs/dbraw/zinc/51/64/13/1050516413.db2.gz XBUPQOMMNOQGJV-UHFFFAOYSA-N 0 0 310.426 4.126 50 0 DIAARN O=C(NC1CC1)c1ccc(NCc2ccc3ccccc3c2)cc1 ZINC000192745718 1051011432 /nfs/dbraw/zinc/01/14/32/1051011432.db2.gz SWTKZEZJWHYBIV-UHFFFAOYSA-N 0 0 316.404 4.344 50 0 DIAARN CCCOC1(c2noc([C@@H]3CCCN3CCC)n2)CCCCC1 ZINC000952845674 1051121927 /nfs/dbraw/zinc/12/19/27/1051121927.db2.gz NDZDUHJMWJTOAG-HNNXBMFYSA-N 0 0 321.465 4.203 50 0 DIAARN CCCCN(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)no1 ZINC000952862957 1051122064 /nfs/dbraw/zinc/12/20/64/1051122064.db2.gz SREDKACBQLUDDC-UHFFFAOYSA-N 0 0 320.820 4.008 50 0 DIAARN CCCOc1c(Cl)cccc1NC(=O)c1cc(C2CC2)no1 ZINC000952869869 1051122227 /nfs/dbraw/zinc/12/22/27/1051122227.db2.gz NUTDDDJQXXAPSG-UHFFFAOYSA-N 0 0 320.776 4.247 50 0 DIAARN CCN(C(=O)[C@H](c1ccccc1)n1cccc1)c1ccccc1 ZINC000952963746 1051123074 /nfs/dbraw/zinc/12/30/74/1051123074.db2.gz IBDDSVSYPRGOIK-IBGZPJMESA-N 0 0 304.393 4.131 50 0 DIAARN COc1ccc(Cl)cc1-c1ccc(-c2nnc(C)o2)cc1 ZINC000952976230 1051123483 /nfs/dbraw/zinc/12/34/83/1051123483.db2.gz FBLIYTZZHRYPBG-UHFFFAOYSA-N 0 0 300.745 4.374 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000952973109 1051123857 /nfs/dbraw/zinc/12/38/57/1051123857.db2.gz FSBFZABYDCARAL-UXHICEINSA-N 0 0 323.436 4.038 50 0 DIAARN Cc1n[nH]c(CN[C@H](CC(C)(C)C)c2cccnc2)c1Cl ZINC000952963194 1051124107 /nfs/dbraw/zinc/12/41/07/1051124107.db2.gz IBGUVEBOPGUTDO-CYBMUJFWSA-N 0 0 306.841 4.034 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)NCC[C@@H]3CCCOC3)cc2)cc1 ZINC000952982259 1051125843 /nfs/dbraw/zinc/12/58/43/1051125843.db2.gz PHKVVLWKAYQXFX-KRWDZBQOSA-N 0 0 323.436 4.209 50 0 DIAARN CCCC[C@H](NCc1c(CC)nn(C)c1Cl)c1cccnc1 ZINC000952987429 1051126598 /nfs/dbraw/zinc/12/65/98/1051126598.db2.gz JNKWIRUQVPBZNK-INIZCTEOSA-N 0 0 320.868 4.052 50 0 DIAARN CCSc1ccccc1NC(=O)CCc1scnc1C ZINC000952980279 1051126827 /nfs/dbraw/zinc/12/68/27/1051126827.db2.gz PDSTXZDWKCKSES-UHFFFAOYSA-N 0 0 306.456 4.135 50 0 DIAARN Cc1cnc([C@H]2CCN(C(=O)CCC3CCCC3)C2)n1C(C)C ZINC000581815753 1051320574 /nfs/dbraw/zinc/32/05/74/1051320574.db2.gz IEYPLEUTFIGTOO-KRWDZBQOSA-N 0 0 317.477 4.059 50 0 DIAARN CC(C)=CCC=C1CC[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000005480755 1051353269 /nfs/dbraw/zinc/35/32/69/1051353269.db2.gz UUXSSTQKKPKXCS-IIXFAMJWSA-N 0 0 309.409 4.259 50 0 DIAARN COc1cc(NC2CC(c3ccccc3C)C2)ccc1NC(C)=O ZINC000237305890 1051792513 /nfs/dbraw/zinc/79/25/13/1051792513.db2.gz DEPYZTIQTJEFLW-UHFFFAOYSA-N 0 0 324.424 4.320 50 0 DIAARN CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000252538359 1052560644 /nfs/dbraw/zinc/56/06/44/1052560644.db2.gz MZBPFBXYFUNYDC-SJLPKXTDSA-N 0 0 324.424 4.269 50 0 DIAARN N#C/C(=C/C=C\c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000033557448 1052801718 /nfs/dbraw/zinc/80/17/18/1052801718.db2.gz RMRLPEYVLHORAL-IAGWCDOLSA-N 0 0 308.768 4.442 50 0 DIAARN CC(C)(C)C(=O)COC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033630194 1052836103 /nfs/dbraw/zinc/83/61/03/1052836103.db2.gz WLEUYHDBUJBCMM-ALCCZGGFSA-N 0 0 315.196 4.165 50 0 DIAARN CCC(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1 ZINC000007845292 1053028457 /nfs/dbraw/zinc/02/84/57/1053028457.db2.gz IYUOQPMZRYEVAY-UHFFFAOYSA-N 0 0 309.394 4.221 50 0 DIAARN Cc1ccc(CN(C)Cc2sc(C)nc2C(F)(F)F)o1 ZINC000183565570 1053678689 /nfs/dbraw/zinc/67/86/89/1053678689.db2.gz SALUEFOHSHRGQY-UHFFFAOYSA-N 0 0 304.337 4.004 50 0 DIAARN Clc1ccc(OCc2nc([C@H]3CCCOC3)cs2)cc1 ZINC000183879551 1053837457 /nfs/dbraw/zinc/83/74/57/1053837457.db2.gz UMNWBFFDZRYYQU-NSHDSACASA-N 0 0 309.818 4.270 50 0 DIAARN CCc1cnccc1C(=O)N(CC1CCCCC1)c1ccccn1 ZINC000185131122 1054386493 /nfs/dbraw/zinc/38/64/93/1054386493.db2.gz UKWGUZYKZSHRAG-UHFFFAOYSA-N 0 0 323.440 4.266 50 0 DIAARN COCCCOc1ccccc1NCc1cnc2ccccc2c1 ZINC000269311996 1055396892 /nfs/dbraw/zinc/39/68/92/1055396892.db2.gz JNTOFFDYEOYFFJ-UHFFFAOYSA-N 0 0 322.408 4.262 50 0 DIAARN Cc1c2oc(=O)c3c(c2cc2c1OC(C)(C)CC2)CCCCC3 ZINC000000491046 1055534026 /nfs/dbraw/zinc/53/40/26/1055534026.db2.gz HHZWLIVUMJCFEO-UHFFFAOYSA-N 0 0 312.409 4.474 50 0 biogenic DIAARN C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000253530753 1056324093 /nfs/dbraw/zinc/32/40/93/1056324093.db2.gz WRWBCPJQPDHXTJ-JIWXIQHESA-N 0 0 304.474 4.061 50 0 biogenic DIAARN O=c1[nH]c([C@@H]2CCC(F)(F)C2)nc2cc(C(F)(F)F)ccc12 ZINC000253535164 1056329257 /nfs/dbraw/zinc/32/92/57/1056329257.db2.gz UBPUNADLKLCZSK-SSDOTTSWSA-N 0 0 318.245 4.257 50 0 DIAARN O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000011945382 1056872580 /nfs/dbraw/zinc/87/25/80/1056872580.db2.gz LWOVNHBELPOXSV-ZDUSSCGKSA-N 0 0 321.392 4.121 50 0 DIAARN Cn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)cn1 ZINC000012112120 1056976307 /nfs/dbraw/zinc/97/63/07/1056976307.db2.gz KWVVGANLELXMRR-IBGZPJMESA-N 0 0 322.456 4.047 50 0 DIAARN CCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000012208352 1056992204 /nfs/dbraw/zinc/99/22/04/1056992204.db2.gz PRGDSWOXOOQHKF-UHFFFAOYSA-N 0 0 318.420 4.233 50 0 DIAARN CCNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000073964922 1057136384 /nfs/dbraw/zinc/13/63/84/1057136384.db2.gz KOZOPDTVNHAXAX-OUKQBFOZSA-N 0 0 318.376 4.064 50 0 DIAARN CCCC[C@@H](NC(=O)Cc1cc(F)ccc1C)c1cccnc1 ZINC000822830956 1057810353 /nfs/dbraw/zinc/81/03/53/1057810353.db2.gz ZVEGYTIPCXCEMW-GOSISDBHSA-N 0 0 314.404 4.119 50 0 DIAARN CCCC[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccnc1 ZINC000822830892 1057810452 /nfs/dbraw/zinc/81/04/52/1057810452.db2.gz DIIPASLKAYWQAS-GOSISDBHSA-N 0 0 314.404 4.201 50 0 DIAARN CCOc1ccccc1NC(=O)N1CC[C@@H](c2cccs2)C1 ZINC000823399213 1057828188 /nfs/dbraw/zinc/82/81/88/1057828188.db2.gz FLUYPUXRTVTTFF-CYBMUJFWSA-N 0 0 316.426 4.168 50 0 DIAARN CCCO[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001529100021 1058608516 /nfs/dbraw/zinc/60/85/16/1058608516.db2.gz MMSORIWZIBPIPB-ZDUSSCGKSA-N 0 0 319.342 4.236 50 0 DIAARN CC(C)[C@@H](C(=O)Nc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC001529105218 1058610555 /nfs/dbraw/zinc/61/05/55/1058610555.db2.gz YKHSKVGRMWBDDY-MRXNPFEDSA-N 0 0 319.836 4.496 50 0 DIAARN CCCOc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1 ZINC001529110414 1058612803 /nfs/dbraw/zinc/61/28/03/1058612803.db2.gz NKKXEZMUVSFMBZ-UHFFFAOYSA-N 0 0 313.401 4.039 50 0 DIAARN CCn1nc(C)c([C@H](C)Nc2ccc3cccc(OC)c3n2)c1C ZINC001529120137 1058615575 /nfs/dbraw/zinc/61/55/75/1058615575.db2.gz UZJPWKJASISOTL-LBPRGKRZSA-N 0 0 324.428 4.250 50 0 DIAARN CCC(CC)n1nccc1NC(=O)c1cc(-c2ccccc2)no1 ZINC001529190867 1058634457 /nfs/dbraw/zinc/63/44/57/1058634457.db2.gz OESOYFVFJUCHQM-UHFFFAOYSA-N 0 0 324.384 4.152 50 0 DIAARN Cc1cc(NC(=O)c2ccc(Cl)s2)n([C@H](C)C2CC2)n1 ZINC001529195638 1058637137 /nfs/dbraw/zinc/63/71/37/1058637137.db2.gz MKHOWXHWQXWLLA-SECBINFHSA-N 0 0 309.822 4.130 50 0 DIAARN CC(=O)N[C@@H](C)c1ccc(-c2cc(F)cc3cccnc32)cc1 ZINC001506400636 1063507201 /nfs/dbraw/zinc/50/72/01/1063507201.db2.gz XAOZWBFKHVKPFJ-LBPRGKRZSA-N 0 0 308.356 4.238 50 0 DIAARN CC(C)Nc1ccccc1C(=O)N(C)[C@@H](c1ccccn1)C1CC1 ZINC001506416807 1063507649 /nfs/dbraw/zinc/50/76/49/1063507649.db2.gz MEGSERQZCJBFEZ-LJQANCHMSA-N 0 0 323.440 4.125 50 0 DIAARN C[C@H](c1cccs1)N(C)C(=O)C1=Cc2ccccc2OC=C1 ZINC001506420093 1063510294 /nfs/dbraw/zinc/51/02/94/1063510294.db2.gz UGWBFUFURYFOFV-CYBMUJFWSA-N 0 0 311.406 4.257 50 0 DIAARN CCc1c(C)noc1NC(=O)Cc1coc2cc(C)cc(C)c12 ZINC001506428692 1063510901 /nfs/dbraw/zinc/51/09/01/1063510901.db2.gz QITJNGCHAMGQMK-UHFFFAOYSA-N 0 0 312.369 4.090 50 0 DIAARN CCOc1cc(NC2CCCCC2)c(N)cc1Br ZINC000095494816 185373764 /nfs/dbraw/zinc/37/37/64/185373764.db2.gz ISFODVZUIFXEFA-UHFFFAOYSA-N 0 0 313.239 4.175 50 0 DIAARN O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCC(F)F ZINC000095522094 185377528 /nfs/dbraw/zinc/37/75/28/185377528.db2.gz NACOHBDJKLFKBG-CQSZACIVSA-N 0 0 323.770 4.243 50 0 DIAARN Cc1cc([C@@H]2CCCCN2C(=O)Nc2cccc(F)c2F)no1 ZINC000095526946 185377915 /nfs/dbraw/zinc/37/79/15/185377915.db2.gz IGWKNEHPQKBCPP-AWEZNQCLSA-N 0 0 321.327 4.020 50 0 DIAARN C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br ZINC000077024143 185071556 /nfs/dbraw/zinc/07/15/56/185071556.db2.gz RMNWPYMNQJCFTE-SECBINFHSA-N 0 0 300.196 4.035 50 0 DIAARN CC(=O)Oc1cccc2ccc(/C=C\c3cccc(F)c3)nc21 ZINC000096594424 185384342 /nfs/dbraw/zinc/38/43/42/185384342.db2.gz MXAWIQWGKSSKMZ-NTMALXAHSA-N 0 0 307.324 4.470 50 0 DIAARN CCc1ccccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000096731588 185385986 /nfs/dbraw/zinc/38/59/86/185385986.db2.gz GXDYAHJRGVPWFI-QXMHVHEDSA-N 0 0 321.829 4.315 50 0 DIAARN CCCc1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000096747795 185386154 /nfs/dbraw/zinc/38/61/54/185386154.db2.gz KSVOJJHKDJPZNL-YPKPFQOOSA-N 0 0 301.411 4.052 50 0 DIAARN O=c1[nH]c(C(Cl)=Cc2cccc(F)c2)nc2ccccc12 ZINC000096767679 185386989 /nfs/dbraw/zinc/38/69/89/185386989.db2.gz DLVOBLQTMDCVBT-UKTHLTGXSA-N 0 0 300.720 4.211 50 0 DIAARN CO[C@@H](C)c1nc(CN2c3cccc4cccc(c34)C2=O)cs1 ZINC000078990474 185141355 /nfs/dbraw/zinc/14/13/55/185141355.db2.gz HDKZYRRRGLYHMC-NSHDSACASA-N 0 0 324.405 4.164 50 0 DIAARN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000079030403 185147455 /nfs/dbraw/zinc/14/74/55/185147455.db2.gz RVSDEOOOJFNYBF-KBPBESRZSA-N 0 0 317.433 4.215 50 0 DIAARN COCCN(C(=O)/C=C\c1cccc2ccccc12)C1CCCC1 ZINC000096817105 185388821 /nfs/dbraw/zinc/38/88/21/185388821.db2.gz GZWQYJGGMZCAQL-YPKPFQOOSA-N 0 0 323.436 4.271 50 0 DIAARN CN(Cc1ccccc1)C(=O)CCCc1cn(C)c2ccccc12 ZINC000079480731 185173371 /nfs/dbraw/zinc/17/33/71/185173371.db2.gz AOMVXEPRNKPCRR-UHFFFAOYSA-N 0 0 320.436 4.160 50 0 DIAARN CC(C)C[C@H]1SCC(=O)Nc2c1cnn2-c1ccccc1F ZINC000079484260 185173514 /nfs/dbraw/zinc/17/35/14/185173514.db2.gz LZWPHQMYKIIWHI-CQSZACIVSA-N 0 0 319.405 4.433 50 0 DIAARN CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000079484177 185173529 /nfs/dbraw/zinc/17/35/29/185173529.db2.gz RLWOTDUWMIPXHH-ZDUSSCGKSA-N 0 0 309.435 4.126 50 0 DIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C(C)C)on1 ZINC000082157715 185174159 /nfs/dbraw/zinc/17/41/59/185174159.db2.gz YPTNPIXGVGSNSF-INIZCTEOSA-N 0 0 315.417 4.197 50 0 DIAARN CC[C@@H](C)c1ccccc1NC(=O)N(C)CCC1CCOCC1 ZINC000299787298 529430961 /nfs/dbraw/zinc/43/09/61/529430961.db2.gz SMBNRWQQAGTHRX-OAHLLOKOSA-N 0 0 318.461 4.481 50 0 DIAARN Cc1ccccc1C[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000328588002 231231518 /nfs/dbraw/zinc/23/15/18/231231518.db2.gz LKWJAXRLWASOPU-UHFFFAOYSA-N 0 0 309.409 4.073 50 0 DIAARN Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCCOCC1 ZINC000328593928 231234413 /nfs/dbraw/zinc/23/44/13/231234413.db2.gz AVIKFBXBFUFZJX-UHFFFAOYSA-N 0 0 318.804 4.056 50 0 DIAARN O=C(c1ccccc1Br)c1ccnc2ccccc21 ZINC000083252325 185221553 /nfs/dbraw/zinc/22/15/53/185221553.db2.gz UTJTYFHTZWHAAH-UHFFFAOYSA-N 0 0 312.166 4.228 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)c1ccnc2ccccc21 ZINC000083309529 185221768 /nfs/dbraw/zinc/22/17/68/185221768.db2.gz BYXMOQQCIYSBRW-UHFFFAOYSA-N 0 0 301.267 4.485 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1)c1ccnc2ccccc21 ZINC000083309603 185221829 /nfs/dbraw/zinc/22/18/29/185221829.db2.gz SUUDYUWGAFSONN-UHFFFAOYSA-N 0 0 301.267 4.485 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1 ZINC000088085394 185239240 /nfs/dbraw/zinc/23/92/40/185239240.db2.gz ZOTPLDIWLRNWQI-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN COc1ccc(F)c(NC(=O)c2cc3ccc(C)cc3nc2C)c1 ZINC000088226650 185242657 /nfs/dbraw/zinc/24/26/57/185242657.db2.gz LWAVRAWEJBELCW-UHFFFAOYSA-N 0 0 324.355 4.252 50 0 DIAARN O=C(Nc1cccc(C(F)F)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000088378250 185247785 /nfs/dbraw/zinc/24/77/85/185247785.db2.gz AOYFUZYSJGORGH-ZDUSSCGKSA-N 0 0 320.343 4.106 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)/C=C\c2cccc(C)c2)cc1 ZINC000096925093 185391881 /nfs/dbraw/zinc/39/18/81/185391881.db2.gz SAHHQCQNXMUQDG-LOJRPPCJSA-N 0 0 321.420 4.381 50 0 DIAARN 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CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000000364865 180767731 /nfs/dbraw/zinc/76/77/31/180767731.db2.gz YTAWFBDTAWPLPI-HNNXBMFYSA-N 0 0 313.397 4.108 50 0 DIAARN COc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000000408045 180778423 /nfs/dbraw/zinc/77/84/23/180778423.db2.gz CUPNQURDPDCBRB-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN Cc1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000000387206 180774523 /nfs/dbraw/zinc/77/45/23/180774523.db2.gz SGXSNKALGNISFL-UHFFFAOYSA-N 0 0 319.238 4.128 50 0 DIAARN O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(F)cc1 ZINC000000387279 180774531 /nfs/dbraw/zinc/77/45/31/180774531.db2.gz BKOLAGZLRDYXPU-UHFFFAOYSA-N 0 0 308.356 4.438 50 0 DIAARN O=S(=O)(Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000000390610 180775184 /nfs/dbraw/zinc/77/51/84/180775184.db2.gz BLMRLVYMSLUQRO-UHFFFAOYSA-N 0 0 315.221 4.108 50 0 DIAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000434363 180789671 /nfs/dbraw/zinc/78/96/71/180789671.db2.gz TUMWBGCQYGXRJI-NSHDSACASA-N 0 0 321.829 4.468 50 0 DIAARN COc1ccccc1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000000434307 180790110 /nfs/dbraw/zinc/79/01/10/180790110.db2.gz OGSIQJHXASPHJT-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1C ZINC000000436105 180790386 /nfs/dbraw/zinc/79/03/86/180790386.db2.gz PDPUMKGYHHGBPX-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC ZINC000000434626 180790533 /nfs/dbraw/zinc/79/05/33/180790533.db2.gz XNWFUTGLRGWDJV-UHFFFAOYSA-N 0 0 313.397 4.353 50 0 DIAARN COc1cccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000000440624 180791279 /nfs/dbraw/zinc/79/12/79/180791279.db2.gz SRURLGNSLGCESF-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN COc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1OC ZINC000000468656 180800121 /nfs/dbraw/zinc/80/01/21/180800121.db2.gz MEBPFUBVYKYRAQ-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Cl ZINC000000447469 180794185 /nfs/dbraw/zinc/79/41/85/180794185.db2.gz HNNDOCBQIVEQFA-UHFFFAOYSA-N 0 0 317.772 4.194 50 0 DIAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccncc1 ZINC000000447784 180794562 /nfs/dbraw/zinc/79/45/62/180794562.db2.gz VMSCOTBVJFHEJL-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN CC(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000000450118 180795108 /nfs/dbraw/zinc/79/51/08/180795108.db2.gz ZMXFLLLQPGPBEM-UHFFFAOYSA-N 0 0 301.817 4.320 50 0 DIAARN O=C(N(c1ccccc1)c1ccccc1)n1nnc2ccccc21 ZINC000000454817 180796108 /nfs/dbraw/zinc/79/61/08/180796108.db2.gz QTKSXAJFJVLYPU-UHFFFAOYSA-N 0 0 314.348 4.238 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000000472633 180802064 /nfs/dbraw/zinc/80/20/64/180802064.db2.gz FKSHORHWKKWRIP-UHFFFAOYSA-N 0 0 313.756 4.349 50 0 DIAARN CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)OC(C)C ZINC000000476160 180803261 /nfs/dbraw/zinc/80/32/61/180803261.db2.gz IQVVIRPMUWTIBS-UHFFFAOYSA-N 0 0 321.398 4.029 50 0 DIAARN Cc1c(Cl)cccc1NC(=S)NCCc1ccc(F)cc1 ZINC000000477311 180803453 /nfs/dbraw/zinc/80/34/53/180803453.db2.gz RQSYXKRSEJUGEF-UHFFFAOYSA-N 0 0 322.836 4.317 50 0 DIAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000478310 180803687 /nfs/dbraw/zinc/80/36/87/180803687.db2.gz KZFAVEOKXRWNNZ-UHFFFAOYSA-N 0 0 317.454 4.402 50 0 DIAARN Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000482339 180804562 /nfs/dbraw/zinc/80/45/62/180804562.db2.gz GNVLBUXZZAJNPI-UHFFFAOYSA-N 0 0 323.175 4.342 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)C)C[C@H](C)CC2 ZINC000000483435 180804589 /nfs/dbraw/zinc/80/45/89/180804589.db2.gz ULZDBUJYAFPCTO-LLVKDONJSA-N 0 0 323.458 4.034 50 0 DIAARN Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl ZINC000000482853 180804662 /nfs/dbraw/zinc/80/46/62/180804662.db2.gz FPVXFCQCDTZDCG-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OCC)cc21 ZINC000000521935 180812076 /nfs/dbraw/zinc/81/20/76/180812076.db2.gz MDZSDDRQBWMHQA-UHFFFAOYSA-N 0 0 303.402 4.181 50 0 DIAARN O=C1c2ccccc2N[C@@H](c2ccccc2F)N1Cc1ccco1 ZINC000000553823 180820516 /nfs/dbraw/zinc/82/05/16/180820516.db2.gz JODVKNSZADYOEQ-GOSISDBHSA-N 0 0 322.339 4.185 50 0 DIAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(C)cc1 ZINC000000575968 180825135 /nfs/dbraw/zinc/82/51/35/180825135.db2.gz OPTMUSRTGUJKPA-UHFFFAOYSA-N 0 0 317.410 4.048 50 0 DIAARN CC(=O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000000613808 180829191 /nfs/dbraw/zinc/82/91/91/180829191.db2.gz RLXLTSPDKOBTJL-UHFFFAOYSA-N 0 0 305.171 4.231 50 0 DIAARN CCC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 ZINC000000560810 180822295 /nfs/dbraw/zinc/82/22/95/180822295.db2.gz AVACLVJPUNNLBB-UHFFFAOYSA-N 0 0 320.392 4.181 50 0 DIAARN O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2s1 ZINC000000568686 180823342 /nfs/dbraw/zinc/82/33/42/180823342.db2.gz UQYGABXATWBOMZ-UHFFFAOYSA-N 0 0 302.786 4.131 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N3[C@H](C)CC(C)C[C@H]3C)no2)cc1 ZINC000000815103 180834963 /nfs/dbraw/zinc/83/49/63/180834963.db2.gz JGMWRXZXGQCDEH-HUUCEWRRSA-N 0 0 312.413 4.299 50 0 DIAARN COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 ZINC000000818065 180835486 /nfs/dbraw/zinc/83/54/86/180835486.db2.gz PVCXBLNOIDKVTR-FQEVSTJZSA-N 0 0 319.408 4.456 50 0 DIAARN Cc1c(C)c(=O)oc2c(C)c(OCc3cccc(F)c3)ccc12 ZINC000000859133 180836067 /nfs/dbraw/zinc/83/60/67/180836067.db2.gz JOSRGEVSEAMWMN-UHFFFAOYSA-N 0 0 312.340 4.436 50 0 DIAARN COc1cccc(NC(=S)Nc2ccc(Cl)cc2C)c1 ZINC000000619230 180830981 /nfs/dbraw/zinc/83/09/81/180830981.db2.gz PZZVMOKBAIYIHD-UHFFFAOYSA-N 0 0 306.818 4.466 50 0 DIAARN COc1cccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000000620305 180831436 /nfs/dbraw/zinc/83/14/36/180831436.db2.gz RBXGTEUGWCLGFT-AWEZNQCLSA-N 0 0 305.377 4.339 50 0 DIAARN COc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000000620372 180831439 /nfs/dbraw/zinc/83/14/39/180831439.db2.gz DRNGAFVGHKPDKJ-IBGZPJMESA-N 0 0 309.409 4.357 50 0 DIAARN O=C(COc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000000621139 180831495 /nfs/dbraw/zinc/83/14/95/180831495.db2.gz PKMNMWMKPQAKBF-UHFFFAOYSA-N 0 0 300.785 4.481 50 0 DIAARN Cc1ccc2c(-c3nnnn3-c3ccc(Cl)cc3)c[nH]c2c1C ZINC000000982047 180839367 /nfs/dbraw/zinc/83/93/67/180839367.db2.gz HOYXIDNSNPLEGH-UHFFFAOYSA-N 0 0 323.787 4.081 50 0 DIAARN C[C@H]1Cc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000000998922 180839931 /nfs/dbraw/zinc/83/99/31/180839931.db2.gz UNXBSOSSOFCWFO-NSHDSACASA-N 0 0 305.299 4.297 50 0 DIAARN CSc1nccc(-c2c(C)onc2-c2ccc(Cl)cc2)n1 ZINC000001031872 180842233 /nfs/dbraw/zinc/84/22/33/180842233.db2.gz IRKRSNUUKXKIOD-UHFFFAOYSA-N 0 0 317.801 4.482 50 0 DIAARN O=C(Nc1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1 ZINC000001052243 180842924 /nfs/dbraw/zinc/84/29/24/180842924.db2.gz CMRAAOAEGCUEIJ-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN CC[C@H](NC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000001052144 180842966 /nfs/dbraw/zinc/84/29/66/180842966.db2.gz JLJUMCBNNNGYBG-NSHDSACASA-N 0 0 324.243 4.392 50 0 DIAARN CCSc1ncc(Cl)c(C(=O)Nc2cc(C)ccc2C)n1 ZINC000001069152 180844933 /nfs/dbraw/zinc/84/49/33/180844933.db2.gz REYBIZUOCFHVNB-UHFFFAOYSA-N 0 0 321.833 4.111 50 0 aggregator DIAARN CC[C@]12CCC3=C(Cc4cc(OC)ccc43)C1=CC[C@H]2OC(C)=O ZINC000001068131 180845411 /nfs/dbraw/zinc/84/54/11/180845411.db2.gz SHZBITUMQGFCLM-RTWAWAEBSA-N 0 0 324.420 4.457 50 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0 DIAARN CCCCN(CCCC)C(=O)Nc1cc(OC)ccc1OC ZINC000002172096 180913429 /nfs/dbraw/zinc/91/34/29/180913429.db2.gz UZIXGQAIJHLUNF-UHFFFAOYSA-N 0 0 308.422 4.138 50 0 DIAARN CCCSc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000002315520 180919433 /nfs/dbraw/zinc/91/94/33/180919433.db2.gz FJOJFIKENRCJLH-UHFFFAOYSA-N 0 0 302.443 4.404 50 0 DIAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)C ZINC000002460877 180925297 /nfs/dbraw/zinc/92/52/97/180925297.db2.gz ZVWXLLBNJBBWOE-CQSZACIVSA-N 0 0 315.461 4.450 50 0 DIAARN CCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002490549 180927185 /nfs/dbraw/zinc/92/71/85/180927185.db2.gz DIOGSHAUIACCHQ-UHFFFAOYSA-N 0 0 304.217 4.021 50 0 DIAARN COc1nc2ccc(C)cc2cc1-c1noc(-c2ccccc2)n1 ZINC000002426999 180923052 /nfs/dbraw/zinc/92/30/52/180923052.db2.gz GZKHAFIORSXHJF-UHFFFAOYSA-N 0 0 317.348 4.269 50 0 DIAARN CCOC(=O)c1cccc(C(=O)CCc2ccc(C)c(C)c2)c1 ZINC000002517638 180930602 /nfs/dbraw/zinc/93/06/02/180930602.db2.gz QHHIQJGNDWNAHG-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN CCOC(=O)c1cccc(C(=O)CCc2c(C)cccc2C)c1 ZINC000002517586 180930669 /nfs/dbraw/zinc/93/06/69/180930669.db2.gz CRVPPNMFPQPWPK-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN C[C@@H](c1ccco1)N(C(=O)c1ccccc1F)c1ccccn1 ZINC000002552773 180934641 /nfs/dbraw/zinc/93/46/41/180934641.db2.gz RFOXTYJPHLUGKZ-ZDUSSCGKSA-N 0 0 310.328 4.222 50 0 DIAARN O=C(NCc1cccs1)c1cccc(Oc2ccccc2)c1 ZINC000002561959 180935651 /nfs/dbraw/zinc/93/56/51/180935651.db2.gz JKLVSWSLRNAYPO-UHFFFAOYSA-N 0 0 309.390 4.470 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000002648944 180944088 /nfs/dbraw/zinc/94/40/88/180944088.db2.gz BVXDKGPCVOJOCF-KRWDZBQOSA-N 0 0 323.392 4.224 50 0 DIAARN CCCCOc1ccccc1Cn1c2cc(C)ccc2oc1=O ZINC000002668947 180946270 /nfs/dbraw/zinc/94/62/70/180946270.db2.gz XRNDJKQCWIBOHJ-UHFFFAOYSA-N 0 0 311.381 4.130 50 0 DIAARN Cc1cc(C)cc(N2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000002740458 180951049 /nfs/dbraw/zinc/95/10/49/180951049.db2.gz BIQMZWNQSPGJAL-UHFFFAOYSA-N 0 0 315.829 4.493 50 0 DIAARN Cc1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000002786964 180957413 /nfs/dbraw/zinc/95/74/13/180957413.db2.gz CAUMPGZQEBFBKT-UHFFFAOYSA-N 0 0 311.694 4.377 50 0 DIAARN CCCc1ccc(-c2c(C)sc(N)c2C(=O)OCC)cc1 ZINC000002752755 180952413 /nfs/dbraw/zinc/95/24/13/180952413.db2.gz QVJPHFBYPVFGBC-UHFFFAOYSA-N 0 0 303.427 4.435 50 0 DIAARN Fc1ccc(CCNC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002757272 180952736 /nfs/dbraw/zinc/95/27/36/180952736.db2.gz QLQMJMJLDPACCH-UHFFFAOYSA-N 0 0 308.809 4.008 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000002763106 180953535 /nfs/dbraw/zinc/95/35/35/180953535.db2.gz GWAGQWTXHMCFHA-UHFFFAOYSA-N 0 0 306.321 4.213 50 0 DIAARN CCCOc1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC000002959454 180971721 /nfs/dbraw/zinc/97/17/21/180971721.db2.gz RTWQOZCNTCBSIM-UHFFFAOYSA-N 0 0 312.394 4.337 50 0 DIAARN CCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002871063 180965456 /nfs/dbraw/zinc/96/54/56/180965456.db2.gz BTKDVACTUJJBTI-UHFFFAOYSA-N 0 0 318.244 4.459 50 0 biogenic DIAARN 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C[C@H](NC(=O)/C=C/c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC000004619351 181129723 /nfs/dbraw/zinc/12/97/23/181129723.db2.gz ZZIDYYQEZLPFFD-CNJBHMCQSA-N 0 0 309.453 4.277 50 0 DIAARN CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1c(C)cccc1C ZINC000004645887 181131308 /nfs/dbraw/zinc/13/13/08/181131308.db2.gz LJHSQWKXHTVGLU-LJQANCHMSA-N 0 0 321.428 4.016 50 0 DIAARN CC(C)Oc1ccc(-c2n[nH]cc2-c2ccc(F)cc2)c(O)c1 ZINC000004643316 181131461 /nfs/dbraw/zinc/13/14/61/181131461.db2.gz HHFPDNOGLMWBDT-UHFFFAOYSA-N 0 0 312.344 4.376 50 0 DIAARN C[C@@H](NC(=O)/C=C/c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000004652343 181131913 /nfs/dbraw/zinc/13/19/13/181131913.db2.gz QBPNNMPWFZJZHQ-ZVZMTHRSSA-N 0 0 315.482 4.482 50 0 DIAARN O=C(NC1CCCC1)c1csc(Nc2ccccc2Cl)n1 ZINC000004699352 181139180 /nfs/dbraw/zinc/13/91/80/181139180.db2.gz FIMHJZLPHBIKBT-UHFFFAOYSA-N 0 0 321.833 4.213 50 0 DIAARN COc1ccc(-c2cn3cc(-c4ccc(F)cc4)nc3n2C)cc1 ZINC000004678401 181135307 /nfs/dbraw/zinc/13/53/07/181135307.db2.gz RMXWGRJIHSCATO-UHFFFAOYSA-N 0 0 321.355 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DIAARN O=C(NCCSCc1ccccc1Cl)c1ccccc1 ZINC000004739898 181145378 /nfs/dbraw/zinc/14/53/78/181145378.db2.gz UUUODHZGBNRRMM-UHFFFAOYSA-N 0 0 305.830 4.003 50 0 DIAARN O=C(Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000004741200 181145402 /nfs/dbraw/zinc/14/54/02/181145402.db2.gz MQJCYXXXEOYTKS-UHFFFAOYSA-N 0 0 317.388 4.447 50 0 DIAARN COc1ccc(-c2cc3c4c(C)n(C)c(C)c4c(C)nn3c2)cc1 ZINC000004751634 181148281 /nfs/dbraw/zinc/14/82/81/181148281.db2.gz CAMCJRORMZFXCM-UHFFFAOYSA-N 0 0 319.408 4.427 50 0 DIAARN COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)c1C ZINC000004756236 181148725 /nfs/dbraw/zinc/14/87/25/181148725.db2.gz XTIHFIMJONRYQD-UHFFFAOYSA-N 0 0 310.353 4.200 50 0 DIAARN O=C(Nc1cccnc1)c1ccccc1CCc1ccccc1 ZINC000004759433 181148933 /nfs/dbraw/zinc/14/89/33/181148933.db2.gz JOGNQBGAOZMAHF-UHFFFAOYSA-N 0 0 302.377 4.119 50 0 DIAARN CC(=O)c1c(C)n(CC(=O)Nc2ccc(C)cc2)c2ccccc21 ZINC000004759262 181149182 /nfs/dbraw/zinc/14/91/82/181149182.db2.gz BWLJMCJAYJIAOF-UHFFFAOYSA-N 0 0 320.392 4.099 50 0 DIAARN Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1Cl ZINC000004770326 181149480 /nfs/dbraw/zinc/14/94/80/181149480.db2.gz TYUJYJIWFIKQBG-UHFFFAOYSA-N 0 0 322.151 4.017 50 0 DIAARN CCCC(=O)N[C@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000004774811 181150498 /nfs/dbraw/zinc/15/04/98/181150498.db2.gz GZJBFSXBJAEHTR-LBPRGKRZSA-N 0 0 323.651 4.020 50 0 DIAARN CCCOc1ccc(C(=O)Nc2cccc3ncccc32)cc1 ZINC000004778414 181151379 /nfs/dbraw/zinc/15/13/79/181151379.db2.gz HCKXLIWWYCFXMZ-UHFFFAOYSA-N 0 0 306.365 4.276 50 0 DIAARN O=C(CCc1cccc(F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000004784332 181151665 /nfs/dbraw/zinc/15/16/65/181151665.db2.gz LKEYGFRCWOTMPY-UHFFFAOYSA-N 0 0 311.278 4.416 50 0 DIAARN O=C1OC2(c3ccccc31)c1ccccc1CCc1ccccc12 ZINC000004792617 181152521 /nfs/dbraw/zinc/15/25/21/181152521.db2.gz UYEISUBWLXKOMF-UHFFFAOYSA-N 0 0 312.368 4.248 50 0 DIAARN Cc1cccc(OC(=O)COc2ccc(Cl)c(C)c2)c1C ZINC000004820335 181156566 /nfs/dbraw/zinc/15/65/66/181156566.db2.gz XDKNPKHVGWRYTC-UHFFFAOYSA-N 0 0 304.773 4.250 50 0 DIAARN C[C@H]1CN(C(=S)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000004815991 181155874 /nfs/dbraw/zinc/15/58/74/181155874.db2.gz MDYOJRKMXJIHFF-GJZGRUSLSA-N 0 0 311.450 4.138 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2)cc1 ZINC000004832923 181158882 /nfs/dbraw/zinc/15/88/82/181158882.db2.gz WJISPZQFZBBMMC-INIZCTEOSA-N 0 0 313.466 4.225 50 0 DIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000004854214 181163885 /nfs/dbraw/zinc/16/38/85/181163885.db2.gz CUBXXJLIPWVUHH-QGZVFWFLSA-N 0 0 323.421 4.187 50 0 DIAARN CCc1cccc2c(C(=O)COC(=O)c3cccc(C)c3)c[nH]c21 ZINC000004846415 181162436 /nfs/dbraw/zinc/16/24/36/181162436.db2.gz BGQWKIRQYRIJKN-UHFFFAOYSA-N 0 0 321.376 4.078 50 0 DIAARN Cc1cc2occ(CC(=O)Nc3ccccn3)c2c(C)c1Cl ZINC000004865790 181165177 /nfs/dbraw/zinc/16/51/77/181165177.db2.gz VSIVHBAHMWFMEX-UHFFFAOYSA-N 0 0 314.772 4.279 50 0 DIAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccccc1 ZINC000004904638 181170868 /nfs/dbraw/zinc/17/08/68/181170868.db2.gz MCLBZPGBIUZOHV-UHFFFAOYSA-N 0 0 309.438 4.005 50 0 DIAARN Cc1ccc(Nc2c(-c3ccccc3O)nc3ncccn32)cc1 ZINC000004903501 181170894 /nfs/dbraw/zinc/17/08/94/181170894.db2.gz CHQQVRMBYDSERL-UHFFFAOYSA-N 0 0 316.364 4.154 50 0 DIAARN CCOc1ccc2c(c1)sc(=N)n2Cc1ccc(Cl)cc1 ZINC000004868205 181166011 /nfs/dbraw/zinc/16/60/11/181166011.db2.gz XAWMOEVAFFFZQP-UHFFFAOYSA-N 0 0 318.829 4.283 50 0 DIAARN O=C(Nc1ccc(Br)cc1Cl)c1cccs1 ZINC000004869905 181166303 /nfs/dbraw/zinc/16/63/03/181166303.db2.gz UGUUKKIMEXDPRS-UHFFFAOYSA-N 0 0 316.607 4.416 50 0 DIAARN COc1ccccc1[C@H]1CC(=O)Nc2c3cccc(O)c3ccc21 ZINC000004913757 181172507 /nfs/dbraw/zinc/17/25/07/181172507.db2.gz MCFKHWDSHTUKCG-MRXNPFEDSA-N 0 0 319.360 4.028 50 0 DIAARN Cc1cc2cc(CNC(=S)Nc3cccc(C)c3)ccc2n1C ZINC000004925031 181173627 /nfs/dbraw/zinc/17/36/27/181173627.db2.gz VJAWNBUQSDMCJI-UHFFFAOYSA-N 0 0 323.465 4.282 50 0 DIAARN Cc1occc1-c1nnc2sc(-c3ccccc3Cl)nn21 ZINC000004938883 181175668 /nfs/dbraw/zinc/17/56/68/181175668.db2.gz ZGHXNYRBYMVZPA-UHFFFAOYSA-N 0 0 316.773 4.075 50 0 DIAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000004938140 181175684 /nfs/dbraw/zinc/17/56/84/181175684.db2.gz ARBYJWIZNXNAEM-CQSZACIVSA-N 0 0 302.761 4.021 50 0 DIAARN Cc1[nH]nc2c1[C@H](c1ccc(C)cc1)N(c1ccc(C)cc1)C2=O ZINC000004928715 181174271 /nfs/dbraw/zinc/17/42/71/181174271.db2.gz OOJBTAJAYKGFAA-IBGZPJMESA-N 0 0 317.392 4.085 50 0 DIAARN COc1ccc(-c2ccc(CNCc3ccco3)o2)cc1Cl ZINC000004942961 181177033 /nfs/dbraw/zinc/17/70/33/181177033.db2.gz GSSGHAVKIJSOJM-UHFFFAOYSA-N 0 0 317.772 4.491 50 0 DIAARN O[C@@H](COc1ccccc1)CSCc1ccc(Cl)cc1 ZINC000004947864 181178294 /nfs/dbraw/zinc/17/82/94/181178294.db2.gz BSCSBLBWXTYIJU-HNNXBMFYSA-N 0 0 308.830 4.013 50 0 DIAARN O=C(Nc1ccccc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000004955897 181179045 /nfs/dbraw/zinc/17/90/45/181179045.db2.gz LTUSKTNXBBMQAS-KGLIPLIRSA-N 0 0 306.192 4.213 50 0 DIAARN CN[P@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2 ZINC000004966324 181180587 /nfs/dbraw/zinc/18/05/87/181180587.db2.gz DBUAJLPJJLNVRX-JIOABUTRSA-N 0 0 321.357 4.378 50 0 DIAARN COc1cccc2c3c(cnc12)c(C)nn3-c1ccc(F)cc1 ZINC000004969885 181181392 /nfs/dbraw/zinc/18/13/92/181181392.db2.gz ZUBQNWGTFQEQME-UHFFFAOYSA-N 0 0 307.328 4.030 50 0 DIAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2C)c1 ZINC000004978792 181183543 /nfs/dbraw/zinc/18/35/43/181183543.db2.gz PITUKFFANAIILA-UHFFFAOYSA-N 0 0 311.425 4.236 50 0 DIAARN O=C(/C=C/c1ccsc1)N1CCC(c2ccsc2)CC1 ZINC000075157150 191434586 /nfs/dbraw/zinc/43/45/86/191434586.db2.gz MLELWDOKIIXCRX-OWOJBTEDSA-N 0 0 303.452 4.229 50 0 DIAARN CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)ccc(O)c2n1 ZINC000004990064 181185888 /nfs/dbraw/zinc/18/58/88/181185888.db2.gz UDPDZUOFMXSVGK-CMDGGOBGSA-N 0 0 318.376 4.378 50 0 biogenic DIAARN Cc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)s1 ZINC000075351537 191465754 /nfs/dbraw/zinc/46/57/54/191465754.db2.gz VVDYYFGWXFKCSM-UHFFFAOYSA-N 0 0 319.411 4.037 50 0 DIAARN Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000005007582 181189778 /nfs/dbraw/zinc/18/97/78/181189778.db2.gz TVHCJGPDQFSQNO-CYBMUJFWSA-N 0 0 319.857 4.445 50 0 DIAARN CCc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000075437289 191473549 /nfs/dbraw/zinc/47/35/49/191473549.db2.gz FQTQHNKUPQEJRK-UHFFFAOYSA-N 0 0 317.392 4.267 50 0 DIAARN Cc1ccc(-c2ncc(C(=O)Nc3cccc(F)c3)c(C)n2)cc1 ZINC000075437124 191474046 /nfs/dbraw/zinc/47/40/46/191474046.db2.gz SBZPRXHUTJAZMB-UHFFFAOYSA-N 0 0 321.355 4.152 50 0 DIAARN CN(C)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004991952 181186890 /nfs/dbraw/zinc/18/68/90/181186890.db2.gz ASGAWNQITWKWHX-UHFFFAOYSA-N 0 0 305.462 4.008 50 0 DIAARN Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000004992922 181186937 /nfs/dbraw/zinc/18/69/37/181186937.db2.gz RVNDQDQLGPMKGP-ZDUSSCGKSA-N 0 0 308.406 4.155 50 0 DIAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)o1 ZINC000005016973 181191068 /nfs/dbraw/zinc/19/10/68/181191068.db2.gz DONSCPOGCIGSID-MRXNPFEDSA-N 0 0 308.381 4.402 50 0 DIAARN Cc1ccc(SCC(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000005019903 181191685 /nfs/dbraw/zinc/19/16/85/181191685.db2.gz DVMXONFRKKAFKS-UHFFFAOYSA-N 0 0 314.406 4.050 50 0 DIAARN COc1cc2c(cc1NC(=O)C(F)(F)F)oc1ccccc12 ZINC000005027182 181192185 /nfs/dbraw/zinc/19/21/85/181192185.db2.gz YOODCPKHKNZUOA-UHFFFAOYSA-N 0 0 309.243 4.095 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)C1=Cc2ccccc2OC1 ZINC000005034258 181194825 /nfs/dbraw/zinc/19/48/25/181194825.db2.gz VLTMQXHRBPAHOU-UHFFFAOYSA-N 0 0 319.282 4.120 50 0 DIAARN FC(F)(F)c1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 ZINC000005044506 181196057 /nfs/dbraw/zinc/19/60/57/181196057.db2.gz HQETUVZQDCXSCJ-CQSZACIVSA-N 0 0 308.328 4.402 50 0 DIAARN C[C@@H]1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2S1 ZINC000005052683 181198084 /nfs/dbraw/zinc/19/80/84/181198084.db2.gz XXMMUQLMGSIDNE-GFCCVEGCSA-N 0 0 301.386 4.243 50 0 DIAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)c1 ZINC000005055407 181198695 /nfs/dbraw/zinc/19/86/95/181198695.db2.gz SCBFTFBQGSUNLG-IBGZPJMESA-N 0 0 304.393 4.219 50 0 DIAARN Cc1cc(C)c(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)c1 ZINC000005049571 181196733 /nfs/dbraw/zinc/19/67/33/181196733.db2.gz KJFIKOKUOLXUNJ-UHFFFAOYSA-N 0 0 322.364 4.019 50 0 DIAARN Cc1cccc2c1-c1sc(C(=O)NCCC(C)C)cc1CO2 ZINC000005049283 181197136 /nfs/dbraw/zinc/19/71/36/181197136.db2.gz HRVOMDOCYUURSJ-UHFFFAOYSA-N 0 0 315.438 4.392 50 0 DIAARN O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)n1cccc1 ZINC000005055404 181197920 /nfs/dbraw/zinc/19/79/20/181197920.db2.gz NAYBXLMJWRNADP-SFHVURJKSA-N 0 0 308.356 4.050 50 0 DIAARN C[C@H]1CCc2c(C(=O)NCCCc3ccccc3)csc2C1 ZINC000005070175 181200348 /nfs/dbraw/zinc/20/03/48/181200348.db2.gz PHIHNQPNLNRAHS-AWEZNQCLSA-N 0 0 313.466 4.236 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)c1csc2c1CCCC2 ZINC000005070094 181200523 /nfs/dbraw/zinc/20/05/23/181200523.db2.gz QZBMBCUBTCDZKY-CQSZACIVSA-N 0 0 313.466 4.378 50 0 DIAARN O=C(NCCCc1ccccc1)c1csc2c1CCCCC2 ZINC000005070331 181200628 /nfs/dbraw/zinc/20/06/28/181200628.db2.gz DIPNNOIAUJJIAF-UHFFFAOYSA-N 0 0 313.466 4.380 50 0 DIAARN COc1ccc(NC(=O)c2csc3c2CCCCC3)cc1 ZINC000005070300 181200807 /nfs/dbraw/zinc/20/08/07/181200807.db2.gz VNNQUHSVTROMHK-UHFFFAOYSA-N 0 0 301.411 4.278 50 0 DIAARN CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)no1 ZINC000077353919 191697983 /nfs/dbraw/zinc/69/79/83/191697983.db2.gz YMZCTKBPSZIFQS-LBPRGKRZSA-N 0 0 318.804 4.081 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1ccccc1 ZINC000005062647 181199433 /nfs/dbraw/zinc/19/94/33/181199433.db2.gz NVIVHVYLYCEBOP-QFBILLFUSA-N 0 0 323.436 4.427 50 0 DIAARN CC(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000005064754 181199588 /nfs/dbraw/zinc/19/95/88/181199588.db2.gz LNHGURJXTANKGE-UHFFFAOYSA-N 0 0 311.425 4.434 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nncs1 ZINC000005101199 181203599 /nfs/dbraw/zinc/20/35/99/181203599.db2.gz MAEJDPQMDDWQTO-QWRGUYRKSA-N 0 0 321.471 4.171 50 0 DIAARN CC[C@@H](C)[C@H](N)c1nnc(SCc2ccccc2Cl)o1 ZINC000005119460 181205594 /nfs/dbraw/zinc/20/55/94/181205594.db2.gz YKWYPUOJRTWQQQ-SKDRFNHKSA-N 0 0 311.838 4.061 50 0 DIAARN CC(C)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000005121393 181205938 /nfs/dbraw/zinc/20/59/38/181205938.db2.gz OREUCMDGXVFNND-UHFFFAOYSA-N 0 0 309.818 4.264 50 0 DIAARN COC(=O)c1ccc(-c2ccco2)n1Cc1ccccc1Cl ZINC000005149956 181209911 /nfs/dbraw/zinc/20/99/11/181209911.db2.gz DTRVSLRPKFTSQH-UHFFFAOYSA-N 0 0 315.756 4.236 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc2snnc2c1 ZINC000005152178 181209916 /nfs/dbraw/zinc/20/99/16/181209916.db2.gz LBGFMKAKOZYCIK-UHFFFAOYSA-N 0 0 318.789 4.297 50 0 DIAARN Cc1ccc2[nH]c(SCc3nc4ccccc4n3C)nc2c1 ZINC000005129337 181207404 /nfs/dbraw/zinc/20/74/04/181207404.db2.gz RXVWMCWSJUKTGF-UHFFFAOYSA-N 0 0 308.410 4.050 50 0 DIAARN CC(C)(C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000005137321 181207921 /nfs/dbraw/zinc/20/79/21/181207921.db2.gz GMBDXYHESTUIHZ-UHFFFAOYSA-N 0 0 322.861 4.168 50 0 DIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 ZINC000005156815 181211544 /nfs/dbraw/zinc/21/15/44/181211544.db2.gz SSDXZDZCNWBVER-UHFFFAOYSA-N 0 0 322.389 4.116 50 0 DIAARN CC(=O)Nc1ccc(-c2csc(NC3CCCC3)n2)cc1 ZINC000005156716 181211871 /nfs/dbraw/zinc/21/18/71/181211871.db2.gz ZGUJCQBDMZTXGU-UHFFFAOYSA-N 0 0 301.415 4.123 50 0 DIAARN CC(=C\c1ccccc1)/C=C1\N=C(c2cccc(F)c2)OC1=O ZINC000005172966 181213051 /nfs/dbraw/zinc/21/30/51/181213051.db2.gz WBZNODMDALQBNJ-NEOBQEPSSA-N 0 0 307.324 4.117 50 0 DIAARN CC(=O)c1cccc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000005192881 181215303 /nfs/dbraw/zinc/21/53/03/181215303.db2.gz RZTZTKFQZOQOHE-UHFFFAOYSA-N 0 0 317.385 4.149 50 0 DIAARN CCCCCCOc1c(Br)cc(C=O)cc1OC ZINC000005175420 181213109 /nfs/dbraw/zinc/21/31/09/181213109.db2.gz CUJRPSORSFJHKO-UHFFFAOYSA-N 0 0 315.207 4.229 50 0 DIAARN CSc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000005222725 181218191 /nfs/dbraw/zinc/21/81/91/181218191.db2.gz MHJVOJGDSPERQZ-UHFFFAOYSA-N 0 0 318.398 4.410 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)Nc1cn(C)c2ccccc12 ZINC000005265728 181224422 /nfs/dbraw/zinc/22/44/22/181224422.db2.gz CTWQZSDMFPQHHH-HNNXBMFYSA-N 0 0 321.424 4.321 50 0 DIAARN COCCn1cc(NC(=O)Nc2cccc(C)c2)c2ccccc21 ZINC000005266469 181224595 /nfs/dbraw/zinc/22/45/95/181224595.db2.gz UXGNVOVFQGJAOK-UHFFFAOYSA-N 0 0 323.396 4.240 50 0 DIAARN S=C(NC1CCCCC1)N[C@@H]1CCSc2ccccc21 ZINC000005239533 181220245 /nfs/dbraw/zinc/22/02/45/181220245.db2.gz WCDYIWHSOMOGJM-CQSZACIVSA-N 0 0 306.500 4.020 50 0 DIAARN COc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000005244941 181221292 /nfs/dbraw/zinc/22/12/92/181221292.db2.gz OIJBQBRPBUAEGA-UHFFFAOYSA-N 0 0 324.424 4.328 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nccn1C ZINC000005359377 181234649 /nfs/dbraw/zinc/23/46/49/181234649.db2.gz BCAAUHQOEMKKLA-STQMWFEESA-N 0 0 317.458 4.053 50 0 DIAARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccccc1 ZINC000005409261 181240278 /nfs/dbraw/zinc/24/02/78/181240278.db2.gz MBBCOLNDPHJOMK-UHFFFAOYSA-N 0 0 303.321 4.075 50 0 DIAARN COCc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000005279161 181225719 /nfs/dbraw/zinc/22/57/19/181225719.db2.gz GRKQMOWCFCGYSU-UHFFFAOYSA-N 0 0 324.207 4.070 50 0 DIAARN Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)s1 ZINC000005317594 181229089 /nfs/dbraw/zinc/22/90/89/181229089.db2.gz YBAVXEMFKKJTGT-UHFFFAOYSA-N 0 0 320.435 4.111 50 0 DIAARN COc1ccccc1-c1cnn2c1nc(C)cc2NCCC(C)C ZINC000005348036 181233373 /nfs/dbraw/zinc/23/33/73/181233373.db2.gz PUGXOKSUMSDNSZ-UHFFFAOYSA-N 0 0 324.428 4.171 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000005431293 181242940 /nfs/dbraw/zinc/24/29/40/181242940.db2.gz FUQOMFWRJNYSFG-UHFFFAOYSA-N 0 0 311.381 4.123 50 0 DIAARN CC(C)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000005442803 181243686 /nfs/dbraw/zinc/24/36/86/181243686.db2.gz FTSMFYCOJXCORG-IBGZPJMESA-N 0 0 323.436 4.383 50 0 DIAARN Clc1ccccc1CSc1ccc(-c2cccnc2)nn1 ZINC000005442345 181243767 /nfs/dbraw/zinc/24/37/67/181243767.db2.gz JBJOOKAHOYMBSJ-UHFFFAOYSA-N 0 0 313.813 4.484 50 0 DIAARN CC(C)c1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 ZINC000005452184 181244725 /nfs/dbraw/zinc/24/47/25/181244725.db2.gz IXUHGTQEAIDWLV-GHRIWEEISA-N 0 0 316.404 4.464 50 0 DIAARN Cc1noc(C)c1COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000005471930 181247438 /nfs/dbraw/zinc/24/74/38/181247438.db2.gz PZVQILWKTUXDNU-UHFFFAOYSA-N 0 0 321.376 4.244 50 0 DIAARN 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4.032 50 0 DIAARN CCCCc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1 ZINC000024050039 182373488 /nfs/dbraw/zinc/37/34/88/182373488.db2.gz BOGBICBVOWYGPR-UHFFFAOYSA-N 0 0 319.408 4.467 50 0 DIAARN Cc1ccc(NC(=O)N(Cc2ccco2)C2CC2)cc1Cl ZINC000024774741 182390561 /nfs/dbraw/zinc/39/05/61/182390561.db2.gz UWJCQIFUTSXSPJ-UHFFFAOYSA-N 0 0 304.777 4.438 50 0 DIAARN O=C(Nc1ccccc1-c1cccs1)[C@H]1Cc2ccccc2O1 ZINC000024780319 182390959 /nfs/dbraw/zinc/39/09/59/182390959.db2.gz OVPKVAYNYZTEQR-QGZVFWFLSA-N 0 0 321.401 4.357 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000024475367 182381744 /nfs/dbraw/zinc/38/17/44/182381744.db2.gz RRFSSPXSIYIAKV-KSSFIOAISA-N 0 0 308.425 4.366 50 0 DIAARN CC(C)CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000024596989 182384469 /nfs/dbraw/zinc/38/44/69/182384469.db2.gz WXBUVLWDGIBPPB-UHFFFAOYSA-N 0 0 324.262 4.033 50 0 DIAARN CC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1 ZINC000024691341 182387867 /nfs/dbraw/zinc/38/78/67/182387867.db2.gz SUHRPXTXLADMLV-UHFFFAOYSA-N 0 0 315.800 4.422 50 0 DIAARN COc1ccccc1-c1nnc(SC)n1C1CCCCC1 ZINC000024989449 182397748 /nfs/dbraw/zinc/39/77/48/182397748.db2.gz NQHZFAQYAOCWMW-UHFFFAOYSA-N 0 0 303.431 4.181 50 0 DIAARN CC(=O)Nc1ccc(Sc2cc(C)nc(C(C)C)n2)cc1 ZINC000024990804 182397850 /nfs/dbraw/zinc/39/78/50/182397850.db2.gz JIEXMALKZDISJN-UHFFFAOYSA-N 0 0 301.415 4.018 50 0 DIAARN O=C1CCCN1c1ccc(-c2csc(-c3ccco3)n2)cc1 ZINC000025204743 182404473 /nfs/dbraw/zinc/40/44/73/182404473.db2.gz KYDXYJUVLJXMNO-UHFFFAOYSA-N 0 0 310.378 4.197 50 0 DIAARN C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1cccc2ccccc21 ZINC000025424770 182414162 /nfs/dbraw/zinc/41/41/62/182414162.db2.gz OSHQSNNMFCKKQE-CYBMUJFWSA-N 0 0 308.356 4.418 50 0 DIAARN O=C(Nc1ccccc1F)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025238516 182405365 /nfs/dbraw/zinc/40/53/65/182405365.db2.gz ZLYUAPIHHSOUAS-ZJUUUORDSA-N 0 0 304.287 4.068 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C ZINC000027220664 182465251 /nfs/dbraw/zinc/46/52/51/182465251.db2.gz JWJXECVIFYDOET-MEBBXXQBSA-N 0 0 321.804 4.246 50 0 DIAARN Cc1ccccc1CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000027247911 182466643 /nfs/dbraw/zinc/46/66/43/182466643.db2.gz WPYODNXCVJGPMZ-UHFFFAOYSA-N 0 0 301.389 4.428 50 0 DIAARN CN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000027818685 182492617 /nfs/dbraw/zinc/49/26/17/182492617.db2.gz KJYDXIQNMNXSEV-MRXNPFEDSA-N 0 0 303.764 4.239 50 0 DIAARN CCn1c(=O)c2sccc2nc1SCc1ccccc1C ZINC000027840086 182492641 /nfs/dbraw/zinc/49/26/41/182492641.db2.gz VLOFSSVCOVOGPK-UHFFFAOYSA-N 0 0 316.451 4.079 50 0 DIAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c(C)o1 ZINC000028221079 182512206 /nfs/dbraw/zinc/51/22/06/182512206.db2.gz BVQNYRFUFMFXJW-AWEZNQCLSA-N 0 0 308.381 4.178 50 0 DIAARN Cc1nc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)sc1C ZINC000028226264 182513482 /nfs/dbraw/zinc/51/34/82/182513482.db2.gz KAPWTCDVNPONTP-UHFFFAOYSA-N 0 0 313.426 4.121 50 0 DIAARN CCCc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000028879862 182543565 /nfs/dbraw/zinc/54/35/65/182543565.db2.gz GAWBFLRQEKKUCN-LBPRGKRZSA-N 0 0 318.367 4.356 50 0 DIAARN CCc1cccc(NC(=O)CNc2ccccc2SC)c1 ZINC000028663713 182535330 /nfs/dbraw/zinc/53/53/30/182535330.db2.gz HWIWKBYBJZUXKF-UHFFFAOYSA-N 0 0 300.427 4.022 50 0 DIAARN COc1ccc2ccccc2c1CNc1ccc2n[nH]cc2c1 ZINC000016663176 335032953 /nfs/dbraw/zinc/03/29/53/335032953.db2.gz HVOOBRBMAZDSRT-UHFFFAOYSA-N 0 0 303.365 4.337 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc(Br)cc2)s1 ZINC000029484865 182567856 /nfs/dbraw/zinc/56/78/56/182567856.db2.gz QMRKYFABYKQPNQ-UHFFFAOYSA-N 0 0 310.216 4.325 50 0 DIAARN Cc1ccsc1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000030468151 182590288 /nfs/dbraw/zinc/59/02/88/182590288.db2.gz RWZWCGPOXUXXJF-SNVBAGLBSA-N 0 0 324.243 4.310 50 0 DIAARN COc1ccc(S[C@@H](C)c2nc(-c3ccco3)no2)cc1 ZINC000029739663 182575979 /nfs/dbraw/zinc/57/59/79/182575979.db2.gz AYBCWSUYTTYIEM-JTQLQIEISA-N 0 0 302.355 4.192 50 0 DIAARN COc1ccc(S[C@H](C)c2nc(-c3ccco3)no2)cc1 ZINC000029739664 182575981 /nfs/dbraw/zinc/57/59/81/182575981.db2.gz AYBCWSUYTTYIEM-SNVBAGLBSA-N 0 0 302.355 4.192 50 0 DIAARN O=C(NCc1ccc(F)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000031031595 182604414 /nfs/dbraw/zinc/60/44/14/182604414.db2.gz BCISPUKHSAIKKO-KRWDZBQOSA-N 0 0 316.351 4.012 50 0 DIAARN O=C1Nc2ccccc2S/C1=C/NCc1ccc(Cl)cc1 ZINC000100400679 193799256 /nfs/dbraw/zinc/79/92/56/193799256.db2.gz APTOESKUKOJLTL-XNTDXEJSSA-N 0 0 316.813 4.015 50 0 DIAARN c1ccc(Cc2noc(CSc3nc4ccccc4o3)n2)cc1 ZINC000031647250 182618016 /nfs/dbraw/zinc/61/80/16/182618016.db2.gz LSEZQEDRMIZDAI-UHFFFAOYSA-N 0 0 323.377 4.094 50 0 DIAARN C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000031880865 182627865 /nfs/dbraw/zinc/62/78/65/182627865.db2.gz ROADHYKXHSARAJ-LLVKDONJSA-N 0 0 323.770 4.428 50 0 DIAARN Clc1cccc(-c2nn3c(nnc3C3CC3)s2)c1Cl ZINC000032102160 182635493 /nfs/dbraw/zinc/63/54/93/182635493.db2.gz UZNYPXCFAHDDHO-UHFFFAOYSA-N 0 0 311.197 4.037 50 0 DIAARN COc1cccc(NC(=O)[C@@H](C)Nc2ccc(C(C)C)cc2)c1 ZINC000032228372 182638856 /nfs/dbraw/zinc/63/88/56/182638856.db2.gz XUFPEZSPRRCUMN-CQSZACIVSA-N 0 0 312.413 4.258 50 0 DIAARN O=C(CCCc1cccs1)N(Cc1ccc(F)cc1)C1CC1 ZINC000032744772 182658335 /nfs/dbraw/zinc/65/83/35/182658335.db2.gz NIPSFZOHFCFSFW-UHFFFAOYSA-N 0 0 317.429 4.401 50 0 DIAARN Cc1cccc(C)c1NC(=O)CCCOc1ccc(F)cc1 ZINC000032666476 182654182 /nfs/dbraw/zinc/65/41/82/182654182.db2.gz ULLQUCHYEAAXBS-UHFFFAOYSA-N 0 0 301.361 4.240 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C ZINC000032843240 182670969 /nfs/dbraw/zinc/67/09/69/182670969.db2.gz JCGOYHFAMNDAGR-QXIYBXNSSA-N 0 0 301.474 4.310 50 0 DIAARN Cc1ccsc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000032908575 182677740 /nfs/dbraw/zinc/67/77/40/182677740.db2.gz KRUHRSYKEVAGFM-UHFFFAOYSA-N 0 0 301.289 4.207 50 0 DIAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100834888 193804711 /nfs/dbraw/zinc/80/47/11/193804711.db2.gz DXAQHGWMQKWEDY-QGZVFWFLSA-N 0 0 322.799 4.296 50 0 DIAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000032988682 182686429 /nfs/dbraw/zinc/68/64/29/182686429.db2.gz DWLLUABBNAPSFN-IUODEOHRSA-N 0 0 319.401 4.018 50 0 DIAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@@H]2C[C@@H]2C)n1 ZINC000032986018 182686526 /nfs/dbraw/zinc/68/65/26/182686526.db2.gz OUMKWRGWMLDUEX-JOYOIKCWSA-N 0 0 311.410 4.194 50 0 DIAARN CCCCC(=O)Nc1ccc2sc(NC(=O)C(C)C)nc2c1 ZINC000033020386 182688820 /nfs/dbraw/zinc/68/88/20/182688820.db2.gz XTTGUMXWBANUBT-UHFFFAOYSA-N 0 0 319.430 4.020 50 0 DIAARN Cc1ccc2oc3nn(-c4ccc(Cl)cc4)c(=O)c-3cc2c1 ZINC000033020963 182689265 /nfs/dbraw/zinc/68/92/65/182689265.db2.gz FFNXWEIGCINLFA-UHFFFAOYSA-N 0 0 310.740 4.045 50 0 DIAARN C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1cccs1 ZINC000032930644 182682079 /nfs/dbraw/zinc/68/20/79/182682079.db2.gz QFFPIEVAEFUVIF-LBPRGKRZSA-N 0 0 307.846 4.082 50 0 DIAARN Cc1ccc(C)c(C(=O)c2sc(Nc3ccccc3)nc2N)c1 ZINC000032947356 182683996 /nfs/dbraw/zinc/68/39/96/182683996.db2.gz DAYDWXZZFORRMK-UHFFFAOYSA-N 0 0 323.421 4.317 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)/C=C\c1ccccc1 ZINC000033315930 182702961 /nfs/dbraw/zinc/70/29/61/182702961.db2.gz SGPWCTHICBMZRZ-YFHOEESVSA-N 0 0 316.198 4.409 50 0 DIAARN Cc1nccc(-c2cccc(NC(=O)/C=C/c3cccs3)c2)n1 ZINC000033123918 182694026 /nfs/dbraw/zinc/69/40/26/182694026.db2.gz CDIVABMEIMEFAN-BQYQJAHWSA-N 0 0 321.405 4.165 50 0 DIAARN CCc1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000034928421 182745209 /nfs/dbraw/zinc/74/52/09/182745209.db2.gz IKSVFFBZLVZPPN-UHFFFAOYSA-N 0 0 319.408 4.321 50 0 DIAARN c1ccc(C2=N[C@@H](c3ccccc3)N3C[C@@]23c2ccccc2)cc1 ZINC000036020486 182792770 /nfs/dbraw/zinc/79/27/70/182792770.db2.gz WBGPXLGRLVZYHL-GNLJQLLCSA-N 0 0 310.400 4.399 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)no1 ZINC000035511334 182778642 /nfs/dbraw/zinc/77/86/42/182778642.db2.gz QGOMCEBYTUKWMO-CQSZACIVSA-N 0 0 305.765 4.005 50 0 DIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cccc(C)c1 ZINC000035536602 182779476 /nfs/dbraw/zinc/77/94/76/182779476.db2.gz HQBSFBZOZWSMEQ-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccoc1 ZINC000035552402 182780015 /nfs/dbraw/zinc/78/00/15/182780015.db2.gz GJTILGRPKWYWCP-UHFFFAOYSA-N 0 0 323.352 4.240 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000036393418 182824089 /nfs/dbraw/zinc/82/40/89/182824089.db2.gz PGDQRLNFFIHMKQ-OLZOCXBDSA-N 0 0 318.367 4.395 50 0 DIAARN FC(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1 ZINC000036612875 182828655 /nfs/dbraw/zinc/82/86/55/182828655.db2.gz KFNZXVXLQYUAPF-UHFFFAOYSA-N 0 0 301.296 4.286 50 0 DIAARN C/C=C/Cn1c(C(=O)NCc2ccco2)cc2sc(C)cc21 ZINC000037526695 182904405 /nfs/dbraw/zinc/90/44/05/182904405.db2.gz OHDIDRJGXKXJTB-ONEGZZNKSA-N 0 0 314.410 4.110 50 0 DIAARN COc1ccc2nc(C(F)(F)F)cc(Br)c2c1 ZINC000038537318 183001477 /nfs/dbraw/zinc/00/14/77/183001477.db2.gz IVMJQGFGIGPEPH-UHFFFAOYSA-N 0 0 306.081 4.025 50 0 DIAARN Cc1ccccc1CSc1nnc(COc2ccccc2)o1 ZINC000038534919 183001902 /nfs/dbraw/zinc/00/19/02/183001902.db2.gz YQWUPINJZSYOQO-UHFFFAOYSA-N 0 0 312.394 4.249 50 0 DIAARN O=C(N1CC[C@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000038567113 183002864 /nfs/dbraw/zinc/00/28/64/183002864.db2.gz XVRLLUVFDUGJOP-ILCGBQQYSA-N 0 0 309.453 4.219 50 0 DIAARN CCSc1ccccc1C(=O)NCC1(c2cccs2)CC1 ZINC000038593008 183003434 /nfs/dbraw/zinc/00/34/34/183003434.db2.gz IYSBYMBLCAFPDU-UHFFFAOYSA-N 0 0 317.479 4.322 50 0 DIAARN CC(C)Sc1ccc(CC(=O)NCc2ccsc2)cc1 ZINC000038586334 183003579 /nfs/dbraw/zinc/00/35/79/183003579.db2.gz CRKOEKIRHSQGKG-UHFFFAOYSA-N 0 0 305.468 4.108 50 0 DIAARN Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccccc1 ZINC000038651788 183005582 /nfs/dbraw/zinc/00/55/82/183005582.db2.gz KEHASBZLAZZTCH-UHFFFAOYSA-N 0 0 318.405 4.366 50 0 DIAARN Cc1cc(C)c(NC(=O)c2ccc(Cn3ccnc3)cc2)c(C)c1 ZINC000038856143 183011152 /nfs/dbraw/zinc/01/11/52/183011152.db2.gz QYBGLWIFYULDAM-UHFFFAOYSA-N 0 0 319.408 4.109 50 0 DIAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 ZINC000040012189 183027658 /nfs/dbraw/zinc/02/76/58/183027658.db2.gz KOSUTZQLHKADKS-WFASDCNBSA-N 0 0 303.427 4.056 50 0 DIAARN Cc1ccc(-c2nnc([C@H](C)Nc3cc(F)cc(F)c3)o2)cc1 ZINC000040018020 183028096 /nfs/dbraw/zinc/02/80/96/183028096.db2.gz PSCRCQVAQOEIAP-NSHDSACASA-N 0 0 315.323 4.496 50 0 DIAARN COc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1Cl ZINC000040023903 183028451 /nfs/dbraw/zinc/02/84/51/183028451.db2.gz AIPTUJWXFWXJMO-SECBINFHSA-N 0 0 310.806 4.293 50 0 DIAARN O=C(/C=C/c1cccc(Cl)c1Cl)NC(C1CC1)C1CC1 ZINC000040039664 183028851 /nfs/dbraw/zinc/02/88/51/183028851.db2.gz RRQQUAGLOUCLHP-CMDGGOBGSA-N 0 0 310.224 4.311 50 0 DIAARN Cc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc21 ZINC000039273344 183015730 /nfs/dbraw/zinc/01/57/30/183015730.db2.gz VROFHBLUNQTYBC-UHFFFAOYSA-N 0 0 300.814 4.239 50 0 DIAARN Cc1nc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2o1 ZINC000039515135 183019766 /nfs/dbraw/zinc/01/97/66/183019766.db2.gz UEZSLSWLNCLHKK-UHFFFAOYSA-N 0 0 320.270 4.407 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)CCCSc2ccccc2)o1 ZINC000039975808 183025985 /nfs/dbraw/zinc/02/59/85/183025985.db2.gz NELFQZWYWPJMQM-CQSZACIVSA-N 0 0 303.427 4.338 50 0 DIAARN Cc1sc(NCC(F)(F)F)nc1-c1ccc(F)cc1F ZINC000040152953 183040012 /nfs/dbraw/zinc/04/00/12/183040012.db2.gz ZZTLWSNHDRYXLG-UHFFFAOYSA-N 0 0 308.275 4.371 50 0 DIAARN CC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccc2F)s1 ZINC000040150611 183040066 /nfs/dbraw/zinc/04/00/66/183040066.db2.gz AAKOOKVNTBVIRF-SNVBAGLBSA-N 0 0 322.409 4.026 50 0 DIAARN CC(C)(C)c1cnc(CN2CCC[C@H]2c2cccc(F)c2)o1 ZINC000040153836 183040701 /nfs/dbraw/zinc/04/07/01/183040701.db2.gz VCDLJMQSUVYEKA-HNNXBMFYSA-N 0 0 302.393 4.448 50 0 DIAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1noc(C(C)(C)C)n1 ZINC000040153355 183040754 /nfs/dbraw/zinc/04/07/54/183040754.db2.gz ZVGSPNMKPRPPET-LBPRGKRZSA-N 0 0 313.401 4.306 50 0 DIAARN COCC(=O)Nc1cc(Cl)ccc1Oc1cccc(C)c1 ZINC000040161113 183041038 /nfs/dbraw/zinc/04/10/38/183041038.db2.gz ARLNQHIQKRHHCK-UHFFFAOYSA-N 0 0 305.761 4.026 50 0 DIAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccccc1 ZINC000040159581 183041516 /nfs/dbraw/zinc/04/15/16/183041516.db2.gz UHEXLBXEMDIDMO-UHFFFAOYSA-N 0 0 321.342 4.297 50 0 DIAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1Cl ZINC000040162155 183042228 /nfs/dbraw/zinc/04/22/28/183042228.db2.gz LMDHBYDYBYGWEQ-UHFFFAOYSA-N 0 0 300.210 4.327 50 0 DIAARN Cc1c(C(=O)Nc2ccc(SC3CCCC3)cc2)cnn1C ZINC000040072320 183031252 /nfs/dbraw/zinc/03/12/52/183031252.db2.gz KCUQLEOKWCEGQE-UHFFFAOYSA-N 0 0 315.442 4.016 50 0 DIAARN COc1ccc(F)cc1-c1csc(Cc2csc(C)n2)n1 ZINC000040086294 183031784 /nfs/dbraw/zinc/03/17/84/183031784.db2.gz DKNIZIQLWFTIPO-UHFFFAOYSA-N 0 0 320.414 4.314 50 0 DIAARN CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000040095199 183033313 /nfs/dbraw/zinc/03/33/13/183033313.db2.gz ZMUPZQVBIYEBCY-LLVKDONJSA-N 0 0 311.223 4.103 50 0 DIAARN CSc1ccc([C@@H](C)NC(=O)c2c(F)cccc2F)cc1 ZINC000040090511 183033600 /nfs/dbraw/zinc/03/36/00/183033600.db2.gz FNTOTVCLGSHFPD-SNVBAGLBSA-N 0 0 307.365 4.178 50 0 DIAARN Cc1cccc(NC(=O)NCCSc2ccccc2)c1C ZINC000040095306 183033983 /nfs/dbraw/zinc/03/39/83/183033983.db2.gz WCMQYPHRLWXMGY-UHFFFAOYSA-N 0 0 300.427 4.217 50 0 DIAARN Cc1nc2ccc(NC(=O)N(C)Cc3ccccc3)cc2s1 ZINC000040103278 183034610 /nfs/dbraw/zinc/03/46/10/183034610.db2.gz KHXNRDNPHJJXNJ-UHFFFAOYSA-N 0 0 311.410 4.269 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)c(Br)c1 ZINC000040098520 183034642 /nfs/dbraw/zinc/03/46/42/183034642.db2.gz DLIDTVGJDLCREU-LLVKDONJSA-N 0 0 311.223 4.021 50 0 DIAARN COc1ccc(CN(C)C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000040098196 183034782 /nfs/dbraw/zinc/03/47/82/183034782.db2.gz MUISVOXPKJPROF-UHFFFAOYSA-N 0 0 324.424 4.238 50 0 DIAARN C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000040103190 183034823 /nfs/dbraw/zinc/03/48/23/183034823.db2.gz JLBMRSFPIHYWID-LLVKDONJSA-N 0 0 306.312 4.171 50 0 DIAARN CCOc1ccccc1NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000040098772 183034908 /nfs/dbraw/zinc/03/49/08/183034908.db2.gz XAIHMFOXGYPKCV-HUUCEWRRSA-N 0 0 302.418 4.129 50 0 DIAARN Cc1nc2ccc(NC(=O)N3CCc4ccccc4C3)cc2s1 ZINC000040103279 183034962 /nfs/dbraw/zinc/03/49/62/183034962.db2.gz XJSXMFAYOZFGEE-UHFFFAOYSA-N 0 0 323.421 4.195 50 0 DIAARN CCOCc1ccc(CNC(=O)Nc2ccc(CC)cc2)cc1 ZINC000040097920 183034963 /nfs/dbraw/zinc/03/49/63/183034963.db2.gz CRBONPQWZCKGLZ-UHFFFAOYSA-N 0 0 312.413 4.107 50 0 DIAARN Cc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c(Cl)c1 ZINC000040105493 183035212 /nfs/dbraw/zinc/03/52/12/183035212.db2.gz MPBNISIRMXHGIO-CZUORRHYSA-N 0 0 324.852 4.365 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000040104659 183035580 /nfs/dbraw/zinc/03/55/80/183035580.db2.gz AJMQMACLDLLXAI-GHMZBOCLSA-N 0 0 316.323 4.095 50 0 DIAARN CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(F)ccc2F)c1 ZINC000040108213 183036026 /nfs/dbraw/zinc/03/60/26/183036026.db2.gz IILCTTVWGCDHFM-GFCCVEGCSA-N 0 0 319.351 4.243 50 0 DIAARN Cc1ccc2cc(C(=O)Nc3ccc(N(C)C)cc3C)[nH]c2c1 ZINC000040111616 183037055 /nfs/dbraw/zinc/03/70/55/183037055.db2.gz VJHZZEMQDVQACA-UHFFFAOYSA-N 0 0 307.397 4.103 50 0 DIAARN NC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000040118795 183037959 /nfs/dbraw/zinc/03/79/59/183037959.db2.gz WDSOMGGOUZMESK-UHFFFAOYSA-N 0 0 314.797 4.229 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC1CCCCC1 ZINC000040140299 183039029 /nfs/dbraw/zinc/03/90/29/183039029.db2.gz FLYDGIOEOZXVSL-UHFFFAOYSA-N 0 0 319.445 4.281 50 0 DIAARN O[C@@H](CSCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000040134563 183039518 /nfs/dbraw/zinc/03/95/18/183039518.db2.gz SNWHEOQUFBTZMY-INIZCTEOSA-N 0 0 311.406 4.308 50 0 DIAARN O=C1Nc2cc(Cl)ccc2[C@@H]1Cc1cccc(OC(F)F)c1 ZINC000040287149 183051515 /nfs/dbraw/zinc/05/15/15/183051515.db2.gz GMNQENBNTYYQBX-ZDUSSCGKSA-N 0 0 323.726 4.220 50 0 DIAARN O=C1C[C@H](c2ccccc2Cl)c2ncn(-c3cccnc3)c2N1 ZINC000040287027 183051606 /nfs/dbraw/zinc/05/16/06/183051606.db2.gz URSUTORTSWSOIW-CYBMUJFWSA-N 0 0 324.771 4.044 50 0 DIAARN O=C(N1CCC[C@H](C(F)(F)F)C1)C12CC3CC(CC(C3)C1)C2 ZINC000040461969 183070691 /nfs/dbraw/zinc/07/06/91/183070691.db2.gz JFVRFBLQOQDPTQ-IXUJDMMCSA-N 0 0 315.379 4.004 50 0 DIAARN COc1ccc(C)cc1N[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000040463467 183071229 /nfs/dbraw/zinc/07/12/29/183071229.db2.gz BRQJOOWOMGEGON-NSHDSACASA-N 0 0 315.398 4.288 50 0 DIAARN C[C@H](Nc1cc(F)cc(F)c1)c1nnc(-c2ccccc2)o1 ZINC000040477343 183075480 /nfs/dbraw/zinc/07/54/80/183075480.db2.gz VKEAWFZDSWRLIJ-JTQLQIEISA-N 0 0 301.296 4.188 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478351 183075645 /nfs/dbraw/zinc/07/56/45/183075645.db2.gz MYASVHVUJORVAN-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN CCc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000040478317 183075795 /nfs/dbraw/zinc/07/57/95/183075795.db2.gz DWOSKAPNOQRBJE-UHFFFAOYSA-N 0 0 309.344 4.031 50 0 DIAARN Cc1csc(CNC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000040525646 183092215 /nfs/dbraw/zinc/09/22/15/183092215.db2.gz RQBVVMACPSPMJD-UHFFFAOYSA-N 0 0 316.213 4.080 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000040525669 183092281 /nfs/dbraw/zinc/09/22/81/183092281.db2.gz CAQHXCLVVAZHBJ-JTQLQIEISA-N 0 0 320.742 4.455 50 0 DIAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3cccc(F)c3)C2)cc1 ZINC000102046985 193857041 /nfs/dbraw/zinc/85/70/41/193857041.db2.gz NPZWYLKCGCQUMZ-SFHVURJKSA-N 0 0 320.371 4.036 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000041450227 183191726 /nfs/dbraw/zinc/19/17/26/183191726.db2.gz FWVADXVEYXXSNP-UHFFFAOYSA-N 0 0 304.733 4.021 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCO2 ZINC000041450253 183192015 /nfs/dbraw/zinc/19/20/15/183192015.db2.gz PPXHCUAGIIXRPU-UHFFFAOYSA-N 0 0 324.258 4.078 50 0 DIAARN O=C(CCCc1cccs1)N1CCC[C@H]1c1cccs1 ZINC000041596264 183207954 /nfs/dbraw/zinc/20/79/54/183207954.db2.gz AZJHUNUAHLHCPX-AWEZNQCLSA-N 0 0 305.468 4.496 50 0 DIAARN C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000043158365 183342187 /nfs/dbraw/zinc/34/21/87/183342187.db2.gz QAHVBDFULGMSPH-WDEREUQCSA-N 0 0 300.324 4.406 50 0 DIAARN O=C(c1ccc(C2OCCO2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000043212688 183345022 /nfs/dbraw/zinc/34/50/22/183345022.db2.gz SHVJBYNOXFBTAB-UHFFFAOYSA-N 0 0 323.175 4.270 50 0 DIAARN O=C(c1cccc(C2OCCO2)c1)c1cccc(Cl)c1Cl ZINC000043212583 183345399 /nfs/dbraw/zinc/34/53/99/183345399.db2.gz NHBFQJYMRAUGQV-UHFFFAOYSA-N 0 0 323.175 4.270 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000043268219 183349037 /nfs/dbraw/zinc/34/90/37/183349037.db2.gz VDCSBPIFKGLLGY-AWEZNQCLSA-N 0 0 323.755 4.145 50 0 DIAARN CCOc1ccccc1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000043333145 183355627 /nfs/dbraw/zinc/35/56/27/183355627.db2.gz CMEYTEBCFSCONO-UHFFFAOYSA-N 0 0 318.804 4.403 50 0 DIAARN COc1cc(C)c(NC(=O)N(C)CC2CCCCC2)cc1OC ZINC000043404369 183358831 /nfs/dbraw/zinc/35/88/31/183358831.db2.gz YEIZFPWONXRZQU-UHFFFAOYSA-N 0 0 320.433 4.056 50 0 DIAARN COc1ccc(-c2cnc(SC)n2-c2ccc(F)cc2)cc1 ZINC000044086996 183394145 /nfs/dbraw/zinc/39/41/45/183394145.db2.gz NBJGNQKRPTVAGM-UHFFFAOYSA-N 0 0 314.385 4.409 50 0 DIAARN CC(C)Sc1ncc(-c2ccc(Br)cc2)n1C ZINC000044085245 183394225 /nfs/dbraw/zinc/39/42/25/183394225.db2.gz XOOULQKEVKJLPW-UHFFFAOYSA-N 0 0 311.248 4.350 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)nc2C)cc1 ZINC000044676305 183431242 /nfs/dbraw/zinc/43/12/42/183431242.db2.gz JEUSTCYXKSIALI-UHFFFAOYSA-N 0 0 309.291 4.361 50 0 DIAARN O=C(c1ccccc1F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000046017900 183543135 /nfs/dbraw/zinc/54/31/35/183543135.db2.gz UKPJAPZXNGMTRF-MRXNPFEDSA-N 0 0 303.764 4.456 50 0 DIAARN CCCOc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000046179419 183556682 /nfs/dbraw/zinc/55/66/82/183556682.db2.gz XUARXIISZFXPMS-UHFFFAOYSA-N 0 0 321.779 4.198 50 0 DIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C/c2cccs2)s1 ZINC000105625447 194115853 /nfs/dbraw/zinc/11/58/53/194115853.db2.gz OKLCMAZHBXDCPI-NTMALXAHSA-N 0 0 314.435 4.026 50 0 DIAARN CC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000105833439 194143498 /nfs/dbraw/zinc/14/34/98/194143498.db2.gz HIGURTDMJORZMY-UYAOXDASSA-N 0 0 322.408 4.365 50 0 DIAARN CCCCCOc1ccc([C@@H](C)NC(=O)C2CCC2)cc1OC ZINC000048325370 183643527 /nfs/dbraw/zinc/64/35/27/183643527.db2.gz DDVBGIHPTWJGTH-CQSZACIVSA-N 0 0 319.445 4.242 50 0 DIAARN O=C(Nc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000048332171 183645326 /nfs/dbraw/zinc/64/53/26/183645326.db2.gz SHDMPDUTCMEUHA-UHFFFAOYSA-N 0 0 305.333 4.437 50 0 DIAARN O=C(CSCc1ccccc1)N1CCC[C@H]1c1ccccc1 ZINC000048341511 183647089 /nfs/dbraw/zinc/64/70/89/183647089.db2.gz SXDGMJRUBRCXRU-SFHVURJKSA-N 0 0 311.450 4.284 50 0 DIAARN Cc1cc(CSc2ncc(C(F)(F)F)cc2Cl)no1 ZINC000048397353 183656025 /nfs/dbraw/zinc/65/60/25/183656025.db2.gz RHEXPDVJVHMKML-UHFFFAOYSA-N 0 0 308.712 4.343 50 0 DIAARN COc1ccccc1-c1noc([C@H](C)Cc2cccc(F)c2)n1 ZINC000109455223 194264662 /nfs/dbraw/zinc/26/46/62/194264662.db2.gz WZPJNZBWGGJVQW-GFCCVEGCSA-N 0 0 312.344 4.231 50 0 DIAARN COc1ccc([C@@H]2CCCCCN2C(=O)C2CCCC2)cc1 ZINC000052987811 183882923 /nfs/dbraw/zinc/88/29/23/183882923.db2.gz UCPIWZDIDQNYFP-SFHVURJKSA-N 0 0 301.430 4.329 50 0 DIAARN Cc1cccnc1CN(c1nc(C)nc2sccc21)C(C)C ZINC000055073477 183961649 /nfs/dbraw/zinc/96/16/49/183961649.db2.gz JOKPXBKVFCOHGD-UHFFFAOYSA-N 0 0 312.442 4.118 50 0 DIAARN Cc1cccc(C(=O)N(Cc2nccs2)Cc2ccccc2)c1 ZINC000055211495 183970995 /nfs/dbraw/zinc/97/09/95/183970995.db2.gz ZVBZPKZONMBFHO-UHFFFAOYSA-N 0 0 322.433 4.294 50 0 DIAARN Cc1nc2ccc(C(=O)N3CCC[C@@H]3C3CCCC3)cc2nc1C ZINC000056034248 184003677 /nfs/dbraw/zinc/00/36/77/184003677.db2.gz XDCNUHFVTOQXAU-LJQANCHMSA-N 0 0 323.440 4.041 50 0 DIAARN C[C@H](c1ccco1)N(C(=O)/C=C/c1nc2ccccc2o1)C1CC1 ZINC000056182948 184006633 /nfs/dbraw/zinc/00/66/33/184006633.db2.gz QNHFAIJZCAQVGG-OCHBPSSRSA-N 0 0 322.364 4.186 50 0 DIAARN Cc1cc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)no1 ZINC000056327758 184010300 /nfs/dbraw/zinc/01/03/00/184010300.db2.gz QWQGGPPBEZKORD-UHFFFAOYSA-N 0 0 313.401 4.173 50 0 DIAARN O=C(Nc1ccccc1Cl)[C@H](c1ccccc1)n1cccc1 ZINC000056907444 184021063 /nfs/dbraw/zinc/02/10/63/184021063.db2.gz ZELBWKQCKWGLCQ-KRWDZBQOSA-N 0 0 310.784 4.370 50 0 DIAARN CC(C)=CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000056979501 184022979 /nfs/dbraw/zinc/02/29/79/184022979.db2.gz RVTXHMMKGHCRDB-UHFFFAOYSA-N 0 0 318.760 4.090 50 0 DIAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000057412455 184037457 /nfs/dbraw/zinc/03/74/57/184037457.db2.gz JTAGCCBWUAMDKA-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN CCOc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1 ZINC000057510862 184040577 /nfs/dbraw/zinc/04/05/77/184040577.db2.gz OIFJIAZEUNZDLJ-UHFFFAOYSA-N 0 0 313.426 4.296 50 0 DIAARN CCCCOCCCNC(=O)Nc1ccc(Cl)cc1Cl ZINC000057530640 184041611 /nfs/dbraw/zinc/04/16/11/184041611.db2.gz LIUDOBBXBXXWMQ-UHFFFAOYSA-N 0 0 319.232 4.322 50 0 DIAARN BrC12CC3CC(C1)CC(Br)(C3)CC2 ZINC000057628185 184042554 /nfs/dbraw/zinc/04/25/54/184042554.db2.gz BBYUJAFVLMSQKG-UHFFFAOYSA-N 0 0 308.057 4.258 50 0 DIAARN O=[S@](Cc1nc2ccccc2s1)Cc1ccc(Cl)cc1 ZINC000058045838 184070644 /nfs/dbraw/zinc/07/06/44/184070644.db2.gz XHRWYZNPUCTTOM-HXUWFJFHSA-N 0 0 321.854 4.399 50 0 DIAARN O=C(CSCc1ccc(Cl)cc1)NC[C@H]1CC=CCC1 ZINC000058049337 184071253 /nfs/dbraw/zinc/07/12/53/184071253.db2.gz WMJXBHQFBFXJRX-ZDUSSCGKSA-N 0 0 309.862 4.046 50 0 DIAARN CCn1ccc2cc(NC(=O)NCCc3ccccc3)ccc21 ZINC000057997254 184066255 /nfs/dbraw/zinc/06/62/55/184066255.db2.gz MKKWICOZVZKJPE-UHFFFAOYSA-N 0 0 307.397 4.025 50 0 DIAARN CC[C@@H]1c2ccsc2CCN1Cc1ccn(-c2ccccc2)n1 ZINC000058167908 184084153 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CC(C)c1nccn1[C@@H](C)c1nc(C2CC2)nn1-c1ccccc1 ZINC000065408612 184339564 /nfs/dbraw/zinc/33/95/64/184339564.db2.gz NWQWXLYSFDAYMV-AWEZNQCLSA-N 0 0 321.428 4.074 50 0 DIAARN CCN(C/C=C/c1ccccc1)C(=O)Cc1cccc(F)c1F ZINC000065434012 184344063 /nfs/dbraw/zinc/34/40/63/184344063.db2.gz GGISPHISLXEURZ-JXMROGBWSA-N 0 0 315.363 4.069 50 0 DIAARN C/C(=C\c1ccco1)CN1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000065436245 184345071 /nfs/dbraw/zinc/34/50/71/184345071.db2.gz MAJCXGAJDVJVRY-NRMKIYEFSA-N 0 0 301.390 4.026 50 0 DIAARN c1csc(CN(Cc2noc(-c3cccs3)n2)C2CC2)c1 ZINC000065478538 184352756 /nfs/dbraw/zinc/35/27/56/184352756.db2.gz USGCHQCZIWVCIN-UHFFFAOYSA-N 0 0 317.439 4.024 50 0 DIAARN CC(C)(NC(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000065402601 184337467 /nfs/dbraw/zinc/33/74/67/184337467.db2.gz QCPOEMILKGWVSK-UHFFFAOYSA-N 0 0 322.433 4.475 50 0 DIAARN CC[C@H](c1cccnc1)N(C)Cc1ccc(C(F)(F)F)nc1 ZINC000065407265 184338376 /nfs/dbraw/zinc/33/83/76/184338376.db2.gz MSCNVCFSCAQEPF-CQSZACIVSA-N 0 0 309.335 4.079 50 0 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PTVFNCJKFFFVTL-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CSC1CCCCC1 ZINC000000149420 563224438 /nfs/dbraw/zinc/22/44/38/563224438.db2.gz NCCCSKOWWJLPGT-UHFFFAOYSA-N 0 0 313.850 4.353 50 0 DIAARN CCOC(=O)c1csc(-c2cccc(Cl)c2Cl)n1 ZINC000000120700 563219980 /nfs/dbraw/zinc/21/99/80/563219980.db2.gz DZFFVJGNGVCFIZ-UHFFFAOYSA-N 0 0 302.182 4.294 50 0 DIAARN Cc1cc(C)c(NC(=O)c2cncc(Br)c2)c(C)c1 ZINC000000121202 563220410 /nfs/dbraw/zinc/22/04/10/563220410.db2.gz RGWIZMPBHQKTJM-UHFFFAOYSA-N 0 0 319.202 4.022 50 0 DIAARN Cc1ccc2c(c1)[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000000203931 563230205 /nfs/dbraw/zinc/23/02/05/563230205.db2.gz MNULPIVQNYUIBP-GFCCVEGCSA-N 0 0 316.198 4.232 50 0 DIAARN COc1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000000281598 563235901 /nfs/dbraw/zinc/23/59/01/563235901.db2.gz SMDPOEWVRDWPTR-NSHDSACASA-N 0 0 321.829 4.468 50 0 DIAARN CC(C)(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000147039 563224766 /nfs/dbraw/zinc/22/47/66/563224766.db2.gz VSRWZPFVHMDIPE-UHFFFAOYSA-N 0 0 303.402 4.161 50 0 DIAARN COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cc1 ZINC000000373137 563246576 /nfs/dbraw/zinc/24/65/76/563246576.db2.gz CJUBBVKOHMZEGT-UHFFFAOYSA-N 0 0 307.802 4.323 50 0 DIAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc(SC)cc1 ZINC000000471501 563260603 /nfs/dbraw/zinc/26/06/03/563260603.db2.gz JRCKLVZJEVRFPC-UHFFFAOYSA-N 0 0 321.467 4.080 50 0 DIAARN CC(=O)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001059429 563276472 /nfs/dbraw/zinc/27/64/72/563276472.db2.gz DLXMXOJUADIWMF-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(C)C ZINC000001158334 563278532 /nfs/dbraw/zinc/27/85/32/563278532.db2.gz KYEACSSHWLSCBK-NTUHNPAUSA-N 0 0 323.439 4.059 50 0 DIAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000002591250 563310586 /nfs/dbraw/zinc/31/05/86/563310586.db2.gz VYYLAABGYUJDPD-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCC(C)CC1 ZINC000002795802 563313939 /nfs/dbraw/zinc/31/39/39/563313939.db2.gz ZQRBKFRDWJUXAI-UHFFFAOYSA-N 0 0 309.837 4.066 50 0 DIAARN O=C(Nc1nc(-c2cccs2)ns1)c1ccc(Cl)cc1 ZINC000011914487 563360918 /nfs/dbraw/zinc/36/09/18/563360918.db2.gz NXZKKWXJJPSHAS-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN CC(C)(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000012381623 563367720 /nfs/dbraw/zinc/36/77/20/563367720.db2.gz GSXLIENZSOIAMV-UHFFFAOYSA-N 0 0 312.291 4.243 50 0 DIAARN CC(=O)c1cccc(NC(=S)NC2CCCCCCC2)c1 ZINC000013818570 563390067 /nfs/dbraw/zinc/39/00/67/563390067.db2.gz UCQCWWFGBFXAHE-UHFFFAOYSA-N 0 0 304.459 4.289 50 0 DIAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1c(F)cccc1F ZINC000032908719 563411070 /nfs/dbraw/zinc/41/10/70/563411070.db2.gz HEPSEVGKUDTJHZ-UHFFFAOYSA-N 0 0 317.213 4.116 50 0 DIAARN C[C@@H](NC(=O)Cc1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000030116367 563436991 /nfs/dbraw/zinc/43/69/91/563436991.db2.gz DZXXBFJJIOXPBU-SNVBAGLBSA-N 0 0 313.344 4.187 50 0 DIAARN CC[C@H](C)N(Cc1ccsc1)C(=O)C1CCC(OC)CC1 ZINC000055569054 563476619 /nfs/dbraw/zinc/47/66/19/563476619.db2.gz YXTCOCRJSZASTF-JEYLPNPQSA-N 0 0 309.475 4.080 50 0 DIAARN COc1ccc(Cl)cc1[C@H](C)N[C@H](C)c1c(C)noc1C ZINC000096477622 563484153 /nfs/dbraw/zinc/48/41/53/563484153.db2.gz MBWXCBLCYWFQQQ-VHSXEESVSA-N 0 0 308.809 4.365 50 0 DIAARN C[C@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 ZINC000011251206 563514392 /nfs/dbraw/zinc/51/43/92/563514392.db2.gz MGRUUSLZEFCCRD-NSHDSACASA-N 0 0 312.866 4.055 50 0 DIAARN CSc1ccccc1C(=O)Nc1ccccc1Br ZINC000000382783 563248182 /nfs/dbraw/zinc/24/81/82/563248182.db2.gz AUOLHXXSHKUEAL-UHFFFAOYSA-N 0 0 322.227 4.423 50 0 DIAARN CC(=O)N(C)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000031680 563211237 /nfs/dbraw/zinc/21/12/37/563211237.db2.gz PQMOBYYTBVVSKK-UHFFFAOYSA-N 0 0 324.424 4.219 50 0 DIAARN CCOc1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000000029215 563211065 /nfs/dbraw/zinc/21/10/65/563211065.db2.gz KEIVPXOXIHITTG-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN C[C@H]1CCCN(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000000030236 563211289 /nfs/dbraw/zinc/21/12/89/563211289.db2.gz ADROSYKFUXOYLH-AWEZNQCLSA-N 0 0 307.393 4.183 50 0 DIAARN c1ccc(-n2nnnc2SCc2cccc3ccccc32)cc1 ZINC000000036155 563211426 /nfs/dbraw/zinc/21/14/26/563211426.db2.gz OFKZUQHQKWIIAF-UHFFFAOYSA-N 0 0 318.405 4.108 50 0 DIAARN CCOc1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000000038565 563211513 /nfs/dbraw/zinc/21/15/13/563211513.db2.gz MTBYJHWKNOCXDJ-UHFFFAOYSA-N 0 0 321.376 4.256 50 0 DIAARN Cc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000000045821 563211665 /nfs/dbraw/zinc/21/16/65/563211665.db2.gz ZPNDOYWWTSDLOO-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(Nc1ccccc1Cl)c1ccc(Br)cc1 ZINC000000054776 563212013 /nfs/dbraw/zinc/21/20/13/563212013.db2.gz POLYOPMEIHDCAT-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN CCN(CC)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000060755 563212196 /nfs/dbraw/zinc/21/21/96/563212196.db2.gz DJDXJMUHPDLMJH-UHFFFAOYSA-N 0 0 302.805 4.439 50 0 DIAARN O=c1oc2ccccc2cc1-c1ccc(Br)cc1 ZINC000000057970 563212200 /nfs/dbraw/zinc/21/22/00/563212200.db2.gz WGHLTJMVFCIUON-UHFFFAOYSA-N 0 0 301.139 4.223 50 0 DIAARN COc1ccc2c(C)c(-c3cccc(Cl)c3)c(=O)oc2c1 ZINC000000058002 563212201 /nfs/dbraw/zinc/21/22/01/563212201.db2.gz NQFRPYNDAGZTSF-UHFFFAOYSA-N 0 0 300.741 4.430 50 0 DIAARN O=C(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000000060206 563212239 /nfs/dbraw/zinc/21/22/39/563212239.db2.gz HOLWKHGHTNFTIB-UHFFFAOYSA-N 0 0 307.391 4.302 50 0 DIAARN O=C(Nc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000000060260 563212244 /nfs/dbraw/zinc/21/22/44/563212244.db2.gz GDZHBHHTCMWMJP-UHFFFAOYSA-N 0 0 317.344 4.158 50 0 DIAARN COc1cc(OC)c2c(c1)occ(-c1cccc(Cl)c1)c2=O ZINC000000058157 563212266 /nfs/dbraw/zinc/21/22/66/563212266.db2.gz USNKYQXLHXAMIJ-UHFFFAOYSA-N 0 0 316.740 4.131 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000000062689 563212457 /nfs/dbraw/zinc/21/24/57/563212457.db2.gz YGMBHYIYSMJKBN-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCOC(=O)c1cc(C)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000000067340 563212714 /nfs/dbraw/zinc/21/27/14/563212714.db2.gz DIMQTTKNDUVWQT-UHFFFAOYSA-N 0 0 317.772 4.077 50 0 DIAARN O=c1cc(-c2ccccc2)nc2scc(-c3ccccc3)n21 ZINC000000073131 563213208 /nfs/dbraw/zinc/21/32/08/563213208.db2.gz LOVYXLDJUKYOIS-UHFFFAOYSA-N 0 0 304.374 4.090 50 0 DIAARN CCC(C)(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000074081 563213316 /nfs/dbraw/zinc/21/33/16/563213316.db2.gz JGVRZHRGSXUGCO-UHFFFAOYSA-N 0 0 323.849 4.157 50 0 DIAARN Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000074343 563213612 /nfs/dbraw/zinc/21/36/12/563213612.db2.gz KFJASEXBKKIZPU-UHFFFAOYSA-N 0 0 321.771 4.213 50 0 DIAARN CC[C@@H]1CCCCN1Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000000077983 563214088 /nfs/dbraw/zinc/21/40/88/563214088.db2.gz VXVOEUPGWSDEKZ-OAHLLOKOSA-N 0 0 317.458 4.403 50 0 DIAARN O[C@@](Cc1cccnc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000075807 563214111 /nfs/dbraw/zinc/21/41/11/563214111.db2.gz NRTPWWLOZYKDOU-IBGZPJMESA-N 0 0 309.796 4.214 50 0 DIAARN O[C@](Cc1cccnc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000075811 563214142 /nfs/dbraw/zinc/21/41/42/563214142.db2.gz NRTPWWLOZYKDOU-LJQANCHMSA-N 0 0 309.796 4.214 50 0 DIAARN Cc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000000086910 563215089 /nfs/dbraw/zinc/21/50/89/563215089.db2.gz FISOAGNIVQHXLP-ZSOIEALJSA-N 0 0 314.182 4.250 50 0 DIAARN Cc1ccc(N2N[C@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1C ZINC000000093153 563215894 /nfs/dbraw/zinc/21/58/94/563215894.db2.gz VYTAONWKLRDLIJ-XIKOKIGWSA-N 0 0 317.502 4.045 50 0 DIAARN Clc1cccc(-n2c(SCC3CC3)nnc2C2CC2)c1 ZINC000000090417 563215915 /nfs/dbraw/zinc/21/59/15/563215915.db2.gz XCDBNUUNFVQCIA-UHFFFAOYSA-N 0 0 305.834 4.300 50 0 DIAARN COc1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000101379 563216942 /nfs/dbraw/zinc/21/69/42/563216942.db2.gz YIIWWABZOZKVCI-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN Cc1ccc(-c2csc3ncn(CCC(C)C)c(=O)c23)cc1 ZINC000000098506 563217129 /nfs/dbraw/zinc/21/71/29/563217129.db2.gz XTEYSGNEENTDBK-UHFFFAOYSA-N 0 0 312.438 4.480 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 ZINC000000104202 563217457 /nfs/dbraw/zinc/21/74/57/563217457.db2.gz PRNIEJHZFRQNID-INIZCTEOSA-N 0 0 300.789 4.317 50 0 DIAARN Nc1sc(-c2ccccc2)cc1C(=O)Nc1ccc(F)cc1 ZINC000000102786 563217481 /nfs/dbraw/zinc/21/74/81/563217481.db2.gz SFDKAMLULPDWBS-UHFFFAOYSA-N 0 0 312.369 4.389 50 0 DIAARN Nc1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)s1 ZINC000000108891 563218694 /nfs/dbraw/zinc/21/86/94/563218694.db2.gz ZBMJBURQTCJOGJ-UHFFFAOYSA-N 0 0 312.238 4.430 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1cc(C(C)(C)C)oc1C ZINC000000114573 563219380 /nfs/dbraw/zinc/21/93/80/563219380.db2.gz IBIBQWJAOPVHFL-UHFFFAOYSA-N 0 0 301.386 4.455 50 0 DIAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCCCCC1 ZINC000000116493 563219453 /nfs/dbraw/zinc/21/94/53/563219453.db2.gz CLJXCFWIIAIMNS-UHFFFAOYSA-N 0 0 309.409 4.135 50 0 DIAARN Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000000122298 563220520 /nfs/dbraw/zinc/22/05/20/563220520.db2.gz JHRZDCHDCFJTOU-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN Cc1cc(NC(=O)c2ccccc2F)ccc1Br ZINC000000121405 563220587 /nfs/dbraw/zinc/22/05/87/563220587.db2.gz IHSGUFPXDOOQLA-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C)C3)cc1 ZINC000000127430 563221122 /nfs/dbraw/zinc/22/11/22/563221122.db2.gz VUKMLSAEOJOBEU-LLVKDONJSA-N 0 0 300.427 4.016 50 0 DIAARN Cc1ccccc1NC(=O)c1c(N)sc2c1CCCCC2 ZINC000000130309 563221444 /nfs/dbraw/zinc/22/14/44/563221444.db2.gz NQWPDVFOGPFAKH-UHFFFAOYSA-N 0 0 300.427 4.160 50 0 DIAARN Cc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000130074 563221563 /nfs/dbraw/zinc/22/15/63/563221563.db2.gz MLVUWKFXWGBUDQ-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccno1 ZINC000000129795 563221670 /nfs/dbraw/zinc/22/16/70/563221670.db2.gz KYCUZRCOKVQSMF-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3)s2)c1 ZINC000000136739 563222065 /nfs/dbraw/zinc/22/20/65/563222065.db2.gz JNTIXRRETDBVPT-UHFFFAOYSA-N 0 0 322.315 4.363 50 0 DIAARN COC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000143463 563223280 /nfs/dbraw/zinc/22/32/80/563223280.db2.gz NJQBXJRIJXWMSL-UHFFFAOYSA-N 0 0 311.381 4.023 50 0 DIAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(C)=O ZINC000000149441 563224455 /nfs/dbraw/zinc/22/44/55/563224455.db2.gz JKGBLAYJCAXEKM-UHFFFAOYSA-N 0 0 317.410 4.167 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000149135 563224472 /nfs/dbraw/zinc/22/44/72/563224472.db2.gz BWVYKMXPOAUHEK-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN O=C(/C=C/c1c(Cl)cccc1Cl)NCCc1ccccc1 ZINC000000147095 563224643 /nfs/dbraw/zinc/22/46/43/563224643.db2.gz OOOULFLLOLBCAZ-MDZDMXLPSA-N 0 0 320.219 4.366 50 0 DIAARN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(C)=O ZINC000000151112 563225116 /nfs/dbraw/zinc/22/51/16/563225116.db2.gz UVNTVMZIHCCEDS-UHFFFAOYSA-N 0 0 317.410 4.113 50 0 DIAARN CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000000159468 563225615 /nfs/dbraw/zinc/22/56/15/563225615.db2.gz UMVHOYWQCVOYQO-PKOBYXMFSA-N 0 0 324.811 4.210 50 0 DIAARN O=C(CN1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000000157470 563225723 /nfs/dbraw/zinc/22/57/23/563225723.db2.gz SAOXTUXETQWGLY-UHFFFAOYSA-N 0 0 324.449 4.302 50 0 DIAARN CN(C)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000000164567 563226424 /nfs/dbraw/zinc/22/64/24/563226424.db2.gz PESACDUUBYVSJA-UHFFFAOYSA-N 0 0 300.141 4.081 50 0 DIAARN Nc1c(Cl)cc(Br)c(Cl)c1Br ZINC000000163435 563226425 /nfs/dbraw/zinc/22/64/25/563226425.db2.gz YFDOOBMHAJTEEL-UHFFFAOYSA-N 0 0 319.811 4.101 50 0 DIAARN c1ccc2[nH]c(-c3cccc(-c4nc5ccccc5[nH]4)n3)nc2c1 ZINC000000174021 563228052 /nfs/dbraw/zinc/22/80/52/563228052.db2.gz JBKICBDXAZNSKA-UHFFFAOYSA-N 0 0 311.348 4.168 50 0 DIAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1F ZINC000000178316 563228065 /nfs/dbraw/zinc/22/80/65/563228065.db2.gz NXBGZFPFZNRMFT-UHFFFAOYSA-N 0 0 318.779 4.332 50 0 DIAARN COc1ccc2c(Cl)c(C(=O)N3CCCCC3)sc2c1 ZINC000000183690 563228575 /nfs/dbraw/zinc/22/85/75/563228575.db2.gz PJOZGMBBIBVXCH-UHFFFAOYSA-N 0 0 309.818 4.189 50 0 DIAARN Cc1c(NC(=O)Nc2ccccc2Cl)sc(=S)n1C ZINC000000188194 563229114 /nfs/dbraw/zinc/22/91/14/563229114.db2.gz INYNKFRIKFSGJU-UHFFFAOYSA-N 0 0 313.835 4.422 50 0 aggregator DIAARN O=c1c2ccccc2nc(-c2ccccc2F)n1-c1ccccc1 ZINC000000196343 563229706 /nfs/dbraw/zinc/22/97/06/563229706.db2.gz HLZRGLLFHXXREZ-UHFFFAOYSA-N 0 0 316.335 4.192 50 0 DIAARN CC(C)=CCC(C)(C)[C@H]1OCCN1C(=O)Nc1ccccc1 ZINC000000195033 563229761 /nfs/dbraw/zinc/22/97/61/563229761.db2.gz YBGABCRYBJTANW-MRXNPFEDSA-N 0 0 302.418 4.259 50 0 DIAARN Cc1ccc(C(=O)Nc2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000000193282 563229782 /nfs/dbraw/zinc/22/97/82/563229782.db2.gz YYPQQEGJAIJFJU-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN Clc1ccc2nc(-c3ccc(Br)cc3)cn2c1 ZINC000000198439 563229789 /nfs/dbraw/zinc/22/97/89/563229789.db2.gz AYRHYFIXKCKMIK-UHFFFAOYSA-N 0 0 307.578 4.417 50 0 DIAARN COc1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000199656 563229794 /nfs/dbraw/zinc/22/97/94/563229794.db2.gz YILIQFRMYLRBJJ-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 biogenic DIAARN COc1ccc(C)cc1NC(=O)c1ccccc1Br ZINC000000209677 563230823 /nfs/dbraw/zinc/23/08/23/563230823.db2.gz WFCAQDVRKLXVET-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CCSc1nc(=S)n(-c2ccccc2)c(C)c1C(C)=O ZINC000000214258 563230975 /nfs/dbraw/zinc/23/09/75/563230975.db2.gz HSYLQPSFIPXJIF-UHFFFAOYSA-N 0 0 304.440 4.225 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222925 563231441 /nfs/dbraw/zinc/23/14/41/563231441.db2.gz KIBNYUGLVAQCCK-ROUUACIJSA-N 0 0 304.397 4.041 50 0 DIAARN Cc1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000000237762 563232036 /nfs/dbraw/zinc/23/20/36/563232036.db2.gz RRUSSYLHLAGNSF-UHFFFAOYSA-N 0 0 306.361 4.169 50 0 DIAARN CCOc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000000238165 563232291 /nfs/dbraw/zinc/23/22/91/563232291.db2.gz XYIHHRDKQFPNSE-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000000240987 563232775 /nfs/dbraw/zinc/23/27/75/563232775.db2.gz ATQNCYZXYKKCSS-UHFFFAOYSA-N 0 0 315.328 4.280 50 0 DIAARN CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000241117 563232810 /nfs/dbraw/zinc/23/28/10/563232810.db2.gz BMCNVHMWFUAOAV-UHFFFAOYSA-N 0 0 309.818 4.264 50 0 DIAARN CN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000000246172 563233291 /nfs/dbraw/zinc/23/32/91/563233291.db2.gz KSMOEHJKKPNNLU-UHFFFAOYSA-N 0 0 315.372 4.194 50 0 DIAARN O=C(c1ccccc1Br)N1CCCc2ccccc21 ZINC000000258641 563233872 /nfs/dbraw/zinc/23/38/72/563233872.db2.gz FPZMTKSGVFVPQL-UHFFFAOYSA-N 0 0 316.198 4.042 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000000260134 563233967 /nfs/dbraw/zinc/23/39/67/563233967.db2.gz IKLPNAIQWSCFKJ-UHFFFAOYSA-N 0 0 317.344 4.335 50 0 DIAARN COC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000256817 563234118 /nfs/dbraw/zinc/23/41/18/563234118.db2.gz YSSGSPKQILZUHE-UHFFFAOYSA-N 0 0 311.381 4.023 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 ZINC000000262036 563234468 /nfs/dbraw/zinc/23/44/68/563234468.db2.gz XQDQPGNTMSDLNM-UHFFFAOYSA-N 0 0 317.410 4.068 50 0 DIAARN O=C(NC(=O)c1ccc2ccccc2c1)Nc1ccccc1Cl ZINC000000272848 563235214 /nfs/dbraw/zinc/23/52/14/563235214.db2.gz ZJBHICZRBDFUTF-UHFFFAOYSA-N 0 0 324.767 4.455 50 0 DIAARN COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1C ZINC000000276165 563235496 /nfs/dbraw/zinc/23/54/96/563235496.db2.gz NYDVJHDLTJPWFB-UHFFFAOYSA-N 0 0 300.741 4.430 50 0 DIAARN O=C(c1oc2ccccc2c1N1CCCCC1)N1CCCCC1 ZINC000000271782 563235605 /nfs/dbraw/zinc/23/56/05/563235605.db2.gz UAYWHBNBEKJEDV-UHFFFAOYSA-N 0 0 312.413 4.049 50 0 DIAARN O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ccccc2)C1 ZINC000000286621 563235837 /nfs/dbraw/zinc/23/58/37/563235837.db2.gz IPFNNOQZDKRSPK-QGZVFWFLSA-N 0 0 305.377 4.453 50 0 DIAARN C[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2Cl)C1 ZINC000000282374 563235889 /nfs/dbraw/zinc/23/58/89/563235889.db2.gz KPYDOAQUHYTGFQ-VIFPVBQESA-N 0 0 320.845 4.361 50 0 DIAARN CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1 ZINC000000284175 563235917 /nfs/dbraw/zinc/23/59/17/563235917.db2.gz MPZRZOTXZBEGDA-UHFFFAOYSA-N 0 0 309.365 4.246 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000292498 563236576 /nfs/dbraw/zinc/23/65/76/563236576.db2.gz XHLLVDGHRAJQTN-HUUCEWRRSA-N 0 0 305.299 4.448 50 0 DIAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000292712 563236616 /nfs/dbraw/zinc/23/66/16/563236616.db2.gz MXFHORPGZVARIG-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN O=C(NCCC1=CCCCC1)c1cccc(Br)c1 ZINC000000291630 563236656 /nfs/dbraw/zinc/23/66/56/563236656.db2.gz IWTRAQNMHFDTST-UHFFFAOYSA-N 0 0 308.219 4.069 50 0 DIAARN CC(C)N(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(C)C ZINC000000295707 563237198 /nfs/dbraw/zinc/23/71/98/563237198.db2.gz AAMSWYYNVULNKN-UHFFFAOYSA-N 0 0 324.424 4.198 50 0 DIAARN COc1cc(C)c(CN2CCc3c4ccccc4[nH]c3C2)cc1C ZINC000000293448 563237416 /nfs/dbraw/zinc/23/74/16/563237416.db2.gz GOZIRAPVSRTDRF-UHFFFAOYSA-N 0 0 320.436 4.352 50 0 DIAARN Fc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000000300355 563237757 /nfs/dbraw/zinc/23/77/57/563237757.db2.gz XJFSLQJOUXBSRV-UHFFFAOYSA-N 0 0 324.384 4.024 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000302637 563237854 /nfs/dbraw/zinc/23/78/54/563237854.db2.gz FJRKXJNKZNFSAZ-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nccs1 ZINC000000304208 563238653 /nfs/dbraw/zinc/23/86/53/563238653.db2.gz VLEUCUZEDHATTM-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccccc2OC)cc1C ZINC000000312353 563239407 /nfs/dbraw/zinc/23/94/07/563239407.db2.gz RCHPEXIXBUISNU-UHFFFAOYSA-N 0 0 312.413 4.102 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000000312034 563239655 /nfs/dbraw/zinc/23/96/55/563239655.db2.gz CEXGXUZEGRFXDI-AWEZNQCLSA-N 0 0 313.397 4.226 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000318873 563240781 /nfs/dbraw/zinc/24/07/81/563240781.db2.gz JGWUQTBCUCTPMT-RUDMXATFSA-N 0 0 305.736 4.140 50 0 DIAARN CC(C)(C)c1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 ZINC000000319266 563240982 /nfs/dbraw/zinc/24/09/82/563240982.db2.gz VJUJDJVMIHDOKA-CMDGGOBGSA-N 0 0 321.833 4.141 50 0 DIAARN Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1C ZINC000000328721 563241442 /nfs/dbraw/zinc/24/14/42/563241442.db2.gz SALXCTVJVQWUHJ-UHFFFAOYSA-N 0 0 312.438 4.047 50 0 DIAARN Cc1cc(C)c(C(Nc2ccc(Cl)cc2)=S=O)c(C)c1 ZINC000000330119 563241539 /nfs/dbraw/zinc/24/15/39/563241539.db2.gz WPCWPTFCVVAXBE-UHFFFAOYSA-N 0 0 305.830 4.068 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000000339717 563242120 /nfs/dbraw/zinc/24/21/20/563242120.db2.gz UHMUYNDERREXGH-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000000337666 563242129 /nfs/dbraw/zinc/24/21/29/563242129.db2.gz OMOVDOWREQJBSZ-UHFFFAOYSA-N 0 0 324.605 4.284 50 0 DIAARN Cc1c(C)n2c3c1cc(NC(=O)c1ccccc1)cc3CCC2 ZINC000000345056 563242715 /nfs/dbraw/zinc/24/27/15/563242715.db2.gz DDKPCMRNWZNSAC-UHFFFAOYSA-N 0 0 304.393 4.457 50 0 DIAARN Cc1ccc(-c2cc3nc(C)cc(C(F)(F)Cl)n3n2)cc1 ZINC000000342323 563242750 /nfs/dbraw/zinc/24/27/50/563242750.db2.gz KALRVPJFQYFZIX-UHFFFAOYSA-N 0 0 307.731 4.301 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccccc2OC)c(C)c1 ZINC000000344738 563242830 /nfs/dbraw/zinc/24/28/30/563242830.db2.gz KEGOFNSVFASHME-UHFFFAOYSA-N 0 0 312.413 4.102 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccs1 ZINC000000342203 563242848 /nfs/dbraw/zinc/24/28/48/563242848.db2.gz NKAGRMYORBUFRB-NSHDSACASA-N 0 0 318.467 4.388 50 0 DIAARN CC(C)c1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000000356172 563243868 /nfs/dbraw/zinc/24/38/68/563243868.db2.gz SJWFLDYGJWLUED-LICLKQGHSA-N 0 0 309.340 4.294 50 0 DIAARN C[C@@H](NC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000000356903 563243902 /nfs/dbraw/zinc/24/39/02/563243902.db2.gz ZHELTXWZAHZFBU-SECBINFHSA-N 0 0 310.216 4.002 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000000352738 563243945 /nfs/dbraw/zinc/24/39/45/563243945.db2.gz ITYQLDHQWCRICG-ZWKOTPCHSA-N 0 0 319.832 4.372 50 0 DIAARN CCOc1ccc(NC(=O)CCCc2ccc(OC)cc2)cc1 ZINC000000361040 563244454 /nfs/dbraw/zinc/24/44/54/563244454.db2.gz WTHYUFFJXSREES-UHFFFAOYSA-N 0 0 313.397 4.055 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc3ccccc3c2)c(C)c1 ZINC000000362386 563244715 /nfs/dbraw/zinc/24/47/15/563244715.db2.gz VVQDODRRONZYFS-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000363169 563244750 /nfs/dbraw/zinc/24/47/50/563244750.db2.gz FLNSJPYODCDGSI-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)c1 ZINC000000361211 563244972 /nfs/dbraw/zinc/24/49/72/563244972.db2.gz ZXPCGHCHBJYNBF-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000363360 563245415 /nfs/dbraw/zinc/24/54/15/563245415.db2.gz QWMGAXXTVNIRNY-SNVBAGLBSA-N 0 0 310.180 4.399 50 0 DIAARN CSc1cccc(NC(=O)COc2ccc(C)cc2C)c1 ZINC000000365138 563245791 /nfs/dbraw/zinc/24/57/91/563245791.db2.gz IOKLYWJCRWSYGG-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN COc1ccc(-c2cn3ccc4ccccc4c3n2)cc1OC ZINC000000366706 563245803 /nfs/dbraw/zinc/24/58/03/563245803.db2.gz XWWOOMNHQAOMLE-UHFFFAOYSA-N 0 0 304.349 4.172 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1C ZINC000000365113 563245862 /nfs/dbraw/zinc/24/58/62/563245862.db2.gz ORIAAPXVSOMAAK-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000000364843 563245938 /nfs/dbraw/zinc/24/59/38/563245938.db2.gz MEOUSBBZGRIXMM-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CSc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000000365135 563246006 /nfs/dbraw/zinc/24/60/06/563246006.db2.gz FZFKKTLJUQWGCU-ZDUSSCGKSA-N 0 0 301.411 4.123 50 0 DIAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000371701 563246398 /nfs/dbraw/zinc/24/63/98/563246398.db2.gz HZVPZEBRWXJBOH-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN CCc1cc(C(=O)OC)c(NC(=O)c2ccccc2Cl)s1 ZINC000000370983 563246504 /nfs/dbraw/zinc/24/65/04/563246504.db2.gz YLFJBKDCYALZFQ-UHFFFAOYSA-N 0 0 323.801 4.003 50 0 DIAARN Cc1cc(OCC(=O)N2CCCCC2)c(C(C)C)cc1Cl ZINC000000368735 563246567 /nfs/dbraw/zinc/24/65/67/563246567.db2.gz ZJQOVCVFOPLDFX-UHFFFAOYSA-N 0 0 309.837 4.163 50 0 DIAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccs1 ZINC000000380521 563247534 /nfs/dbraw/zinc/24/75/34/563247534.db2.gz XQIJAQCPQZJREU-UHFFFAOYSA-N 0 0 319.389 4.315 50 0 DIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000000382455 563247665 /nfs/dbraw/zinc/24/76/65/563247665.db2.gz YTUPAFOLDBNMLH-UHFFFAOYSA-N 0 0 307.752 4.275 50 0 DIAARN O=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1 ZINC000000382544 563248322 /nfs/dbraw/zinc/24/83/22/563248322.db2.gz YEQYZYWQLHSMMR-UHFFFAOYSA-N 0 0 320.186 4.173 50 0 DIAARN Cc1c(C(=O)Nc2cc(C)ccc2C)cnn1-c1ccccc1 ZINC000000385347 563248587 /nfs/dbraw/zinc/24/85/87/563248587.db2.gz XITUCKFBZVDDDY-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN Cc1ccc(OC(=O)c2cc(F)c(Cl)nc2Cl)cc1 ZINC000000385145 563248595 /nfs/dbraw/zinc/24/85/95/563248595.db2.gz SBINEIVDICWWER-UHFFFAOYSA-N 0 0 300.116 4.055 50 0 DIAARN COc1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000000385298 563248702 /nfs/dbraw/zinc/24/87/02/563248702.db2.gz UGTWMVRVWPEERZ-UHFFFAOYSA-N 0 0 320.270 4.431 50 0 DIAARN CCOC(=O)C1=C2c3ccc4ccccc4c3CC[C@]2(C)C(=O)C1 ZINC000000393201 563249940 /nfs/dbraw/zinc/24/99/40/563249940.db2.gz LMMSXWNQPAMFAS-OAQYLSRUSA-N 0 0 320.388 4.082 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)COc1ccccc1Cl ZINC000000398834 563250548 /nfs/dbraw/zinc/25/05/48/563250548.db2.gz KEYUSEHEADKDAK-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(NCCc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000000396704 563250602 /nfs/dbraw/zinc/25/06/02/563250602.db2.gz KZGSIEJTQQPXMJ-UHFFFAOYSA-N 0 0 309.196 4.358 50 0 DIAARN COc1ccc(NC(=O)Oc2ccc(SC)c(C)c2)cc1 ZINC000000401552 563251162 /nfs/dbraw/zinc/25/11/62/563251162.db2.gz XMHDBSBAEMBTJG-UHFFFAOYSA-N 0 0 303.383 4.336 50 0 DIAARN OCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000000403384 563251619 /nfs/dbraw/zinc/25/16/19/563251619.db2.gz MHHXKZKHZMSINU-UHFFFAOYSA-N 0 0 320.388 4.337 50 0 DIAARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000409035 563252128 /nfs/dbraw/zinc/25/21/28/563252128.db2.gz XKYFURZKKYOSNE-CQSZACIVSA-N 0 0 303.427 4.309 50 0 DIAARN COc1ccc(CCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000000412630 563252144 /nfs/dbraw/zinc/25/21/44/563252144.db2.gz GMDFXFBAGAVPJH-UHFFFAOYSA-N 0 0 318.442 4.021 50 0 DIAARN 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CC[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(C)cc1 ZINC000002761571 563340789 /nfs/dbraw/zinc/34/07/89/563340789.db2.gz MRVFIXRUACBUQX-GFCCVEGCSA-N 0 0 322.202 4.232 50 0 DIAARN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000002764078 563341181 /nfs/dbraw/zinc/34/11/81/563341181.db2.gz XPXIICYRWDNJET-IRXDYDNUSA-N 0 0 311.425 4.257 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)OC)c3cc(C)ccc3n2)cc1 ZINC000002749540 563341216 /nfs/dbraw/zinc/34/12/16/563341216.db2.gz WTUCZUUNLIMYTP-UHFFFAOYSA-N 0 0 321.376 4.396 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000002764425 563341262 /nfs/dbraw/zinc/34/12/62/563341262.db2.gz KXRQDRQBAIBQMT-OAHLLOKOSA-N 0 0 323.436 4.341 50 0 DIAARN CCC[C@H](C)NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Cl ZINC000002773659 563341865 /nfs/dbraw/zinc/34/18/65/563341865.db2.gz XXAXICZBUSAIEV-VHSXEESVSA-N 0 0 304.217 4.066 50 0 DIAARN CCc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000007973556 563343274 /nfs/dbraw/zinc/34/32/74/563343274.db2.gz JNLGNFALIYBHDV-WJDWOHSUSA-N 0 0 311.768 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CC(C)Oc1ccc(NC(=O)[C@@H](C(C)C)n2cccc2)cc1 ZINC000012138169 563362353 /nfs/dbraw/zinc/36/23/53/563362353.db2.gz IIXRVDGLUXXBQS-QGZVFWFLSA-N 0 0 300.402 4.111 50 0 DIAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)C3(C)CC3)C2)cc1 ZINC000012308002 563366144 /nfs/dbraw/zinc/36/61/44/563366144.db2.gz ZEGMDXWDOPYGFQ-KRWDZBQOSA-N 0 0 300.446 4.013 50 0 DIAARN Clc1ccc(-c2ccc(N3CCc4ccccc4C3)nn2)cc1 ZINC000012323327 563366414 /nfs/dbraw/zinc/36/64/14/563366414.db2.gz KSPAKATWKPWTLQ-UHFFFAOYSA-N 0 0 321.811 4.360 50 0 DIAARN CSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000012380936 563367757 /nfs/dbraw/zinc/36/77/57/563367757.db2.gz LFXRFYVDUPPOEE-NSHDSACASA-N 0 0 321.829 4.468 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cccc3c2-c2ccccc2C3=O)C1 ZINC000012378345 563367764 /nfs/dbraw/zinc/36/77/64/563367764.db2.gz XCBFQMOXSCFTNJ-OKILXGFUSA-N 0 0 319.404 4.016 50 0 biogenic DIAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccon3)cc2C1 ZINC000012381387 563367781 /nfs/dbraw/zinc/36/77/81/563367781.db2.gz LMQWGMOHCKLNMM-LLVKDONJSA-N 0 0 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314.768 4.132 50 0 DIAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)cc1 ZINC000027744729 563429250 /nfs/dbraw/zinc/42/92/50/563429250.db2.gz XKWPHQPZHFCNEM-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1 ZINC000027749674 563429324 /nfs/dbraw/zinc/42/93/24/563429324.db2.gz GORLFLUQCOHCDZ-UHFFFAOYSA-N 0 0 322.364 4.017 50 0 DIAARN O=C(Nc1nc(-c2ccccc2)ns1)c1cccc(Cl)c1 ZINC000027662183 563429445 /nfs/dbraw/zinc/42/94/45/563429445.db2.gz XTAPQZFLISAXMB-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN COC(=O)c1cccc(CSc2nc(-c3ccccc3)c[nH]2)c1 ZINC000027660168 563429553 /nfs/dbraw/zinc/42/95/53/563429553.db2.gz HITCIDCNCXEPGM-UHFFFAOYSA-N 0 0 324.405 4.156 50 0 DIAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 ZINC000027740228 563429596 /nfs/dbraw/zinc/42/95/96/563429596.db2.gz YTHNUUDTRFFWJH-UHFFFAOYSA-N 0 0 322.364 4.381 50 0 DIAARN Cc1c2ccccc2oc1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000027794718 563429850 /nfs/dbraw/zinc/42/98/50/563429850.db2.gz AMALTKRSVOWQQE-SNVBAGLBSA-N 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300.446 4.111 50 0 DIAARN COc1ccc(NC(=O)[C@H](C)Nc2cccc3c2CCCC3)cc1 ZINC000028795094 563432826 /nfs/dbraw/zinc/43/28/26/563432826.db2.gz UWELITYCDMXKEM-AWEZNQCLSA-N 0 0 324.424 4.013 50 0 DIAARN O=C(Cc1cccs1)Nc1cccc(OC2CCCC2)c1 ZINC000029028159 563433156 /nfs/dbraw/zinc/43/31/56/563433156.db2.gz ROGPTMLJSMPVMC-UHFFFAOYSA-N 0 0 301.411 4.251 50 0 DIAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000072285799 563434320 /nfs/dbraw/zinc/43/43/20/563434320.db2.gz ZFZQNLBUWBBOQG-ARFHVFGLSA-N 0 0 312.438 4.000 50 0 DIAARN Cc1ccc(N[C@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 ZINC000030047617 563436072 /nfs/dbraw/zinc/43/60/72/563436072.db2.gz NJOSYEZKELLEEE-MRXNPFEDSA-N 0 0 300.446 4.111 50 0 DIAARN C[C@@H](SC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000030721494 563438082 /nfs/dbraw/zinc/43/80/82/563438082.db2.gz OIPBWERABLMESV-ZCFIWIBFSA-N 0 0 312.382 4.021 50 0 DIAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc2nsnc2c1 ZINC000030948387 563439717 /nfs/dbraw/zinc/43/97/17/563439717.db2.gz 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/nfs/dbraw/zinc/44/64/47/563446447.db2.gz USXABZNQZQPEAX-UHFFFAOYSA-N 0 0 315.328 4.228 50 0 DIAARN O[C@@H](c1nc2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000000228036 563446850 /nfs/dbraw/zinc/44/68/50/563446850.db2.gz GMYLVBDBFFVRSW-LJQANCHMSA-N 0 0 300.361 4.107 50 0 DIAARN O=C(c1cc2ccccc2o1)N1CCC(c2ccccc2)CC1 ZINC000000310354 563447414 /nfs/dbraw/zinc/44/74/14/563447414.db2.gz MDLCFAQZWIHYFW-UHFFFAOYSA-N 0 0 305.377 4.453 50 0 DIAARN O=CN1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000000436288 563447541 /nfs/dbraw/zinc/44/75/41/563447541.db2.gz ZDVYLNJZXDEJGP-FQEVSTJZSA-N 0 0 300.361 4.147 50 0 DIAARN Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C ZINC000000577337 563448234 /nfs/dbraw/zinc/44/82/34/563448234.db2.gz GEEZHZDEQZTMHC-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN CCOc1ccc(Nc2nc(N)c(C(=O)C(C)(C)C)s2)cc1 ZINC000000614371 563448244 /nfs/dbraw/zinc/44/82/44/563448244.db2.gz WCTLVPZBYSDTAH-UHFFFAOYSA-N 0 0 319.430 4.096 50 0 DIAARN CCCc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1 ZINC000001227002 563448290 /nfs/dbraw/zinc/44/82/90/563448290.db2.gz LYSIZEKDLCYAPA-UHFFFAOYSA-N 0 0 308.385 4.024 50 0 DIAARN CC(=O)C(C(C)=O)[C@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000004634820 563449432 /nfs/dbraw/zinc/44/94/32/563449432.db2.gz UVMXTWKYFJFXEM-SFHVURJKSA-N 0 0 314.768 4.372 50 0 DIAARN c1csc(CNc2ncnc3sc4c(c32)CCCC4)c1 ZINC000007983331 563453888 /nfs/dbraw/zinc/45/38/88/563453888.db2.gz SQVISSKETWLABZ-UHFFFAOYSA-N 0 0 301.440 4.244 50 0 DIAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000036619722 563455256 /nfs/dbraw/zinc/45/52/56/563455256.db2.gz ZTVCNBZYQUIDNY-QGZVFWFLSA-N 0 0 314.816 4.387 50 0 DIAARN CCC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1C ZINC000036567005 563455422 /nfs/dbraw/zinc/45/54/22/563455422.db2.gz XFWVWOIMKTUKHU-UHFFFAOYSA-N 0 0 316.788 4.249 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000036620771 563456021 /nfs/dbraw/zinc/45/60/21/563456021.db2.gz REXLEKJAOWVRBA-KRWDZBQOSA-N 0 0 310.397 4.373 50 0 DIAARN COCc1c2ccccc2oc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000032975215 563457227 /nfs/dbraw/zinc/45/72/27/563457227.db2.gz NPIARSUTZFUEEF-ZDUSSCGKSA-N 0 0 321.376 4.171 50 0 DIAARN CCOc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000037358375 563458269 /nfs/dbraw/zinc/45/82/69/563458269.db2.gz XBCVWESUGMFWMM-UHFFFAOYSA-N 0 0 305.171 4.079 50 0 DIAARN CC(C)c1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000032985383 563458714 /nfs/dbraw/zinc/45/87/14/563458714.db2.gz RVLCTZTWQYSOIZ-UHFFFAOYSA-N 0 0 307.393 4.247 50 0 DIAARN Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 ZINC000037867772 563459350 /nfs/dbraw/zinc/45/93/50/563459350.db2.gz BLRMPCRPEUSYSX-UHFFFAOYSA-N 0 0 318.804 4.150 50 0 DIAARN CCCN(C(=O)Cc1c(C)noc1C)[C@H](CC)c1ccccc1 ZINC000071800846 563460028 /nfs/dbraw/zinc/46/00/28/563460028.db2.gz GDYNYLQHJZGMFG-GOSISDBHSA-N 0 0 314.429 4.224 50 0 DIAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3c2C1 ZINC000032998006 563460318 /nfs/dbraw/zinc/46/03/18/563460318.db2.gz IVKFSFTWALNPEC-RBSFLKMASA-N 0 0 324.468 4.411 50 0 DIAARN CCc1cccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c1 ZINC000032996347 563460341 /nfs/dbraw/zinc/46/03/41/563460341.db2.gz UNEGFLCWDFWNFT-UHFFFAOYSA-N 0 0 322.368 4.251 50 0 DIAARN Cc1ccc(-c2ncc(NC(=O)c3ccccc3C)cn2)cc1 ZINC000097938537 563460981 /nfs/dbraw/zinc/46/09/81/563460981.db2.gz YDTFPNWNCYJTBZ-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN Cc1cc(C(F)F)c2c(N)c(C(=O)c3ccccc3)sc2n1 ZINC000044892402 563463701 /nfs/dbraw/zinc/46/37/01/563463701.db2.gz PDUQKPPPGKOBEO-UHFFFAOYSA-N 0 0 318.348 4.356 50 0 DIAARN CCc1ccc(C2=NNC(=Nc3ccccc3F)SC2)s1 ZINC000011116684 563464698 /nfs/dbraw/zinc/46/46/98/563464698.db2.gz WCVMEOHYRVGAKN-UHFFFAOYSA-N 0 0 319.430 4.369 50 0 DIAARN Cc1ccc2oc3nn(-c4cccc(Cl)c4)c(=O)c-3cc2c1 ZINC000033020934 563465067 /nfs/dbraw/zinc/46/50/67/563465067.db2.gz SNWWGGHIOAXWEH-UHFFFAOYSA-N 0 0 310.740 4.045 50 0 DIAARN Cc1cc2nc(NC(=O)[C@H]3Cc4ccccc4S3)oc2c(C)c1 ZINC000072313708 563465594 /nfs/dbraw/zinc/46/55/94/563465594.db2.gz BPNTXTQIGYRIRC-OAHLLOKOSA-N 0 0 324.405 4.100 50 0 DIAARN O=C(NCc1ccc(Br)cc1)c1ccccc1Cl ZINC000048817125 563466738 /nfs/dbraw/zinc/46/67/38/563466738.db2.gz GGQXAXJYSKFTOB-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN O=C1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000050329686 563468195 /nfs/dbraw/zinc/46/81/95/563468195.db2.gz QTIKHTMMYJIJSO-UHFFFAOYSA-N 0 0 308.200 4.092 50 0 DIAARN COc1ccc(N[C@@H](C)c2nnc(C)o2)cc1Cc1ccccc1 ZINC000071902394 563468419 /nfs/dbraw/zinc/46/84/19/563468419.db2.gz SWPXIZOBEJDEAX-ZDUSSCGKSA-N 0 0 323.396 4.151 50 0 DIAARN CC[C@@H](NC(=O)CCn1c(C)cc2ccccc21)c1cccnc1 ZINC000055072079 563471117 /nfs/dbraw/zinc/47/11/17/563471117.db2.gz VWMMBRBGGAIRTJ-GOSISDBHSA-N 0 0 321.424 4.002 50 0 DIAARN COc1ccccc1CN(Cc1csc(C(C)=O)c1)C1CC1 ZINC000055182533 563471504 /nfs/dbraw/zinc/47/15/04/563471504.db2.gz QMTOOZZELPMRGR-UHFFFAOYSA-N 0 0 315.438 4.124 50 0 DIAARN CS[C@H](C)CCN(Cc1nccs1)Cc1ccccc1 ZINC000055167405 563471974 /nfs/dbraw/zinc/47/19/74/563471974.db2.gz RHKZOGUVADTDKG-CQSZACIVSA-N 0 0 306.500 4.287 50 0 DIAARN Cc1cc(N[C@@H](C)c2cnn(C)c2)nc2cc(Cl)ccc12 ZINC000055281330 563473666 /nfs/dbraw/zinc/47/36/66/563473666.db2.gz LDRLSZIUIHWRJF-NSHDSACASA-N 0 0 300.793 4.103 50 0 DIAARN CC/C=C/CC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000055327621 563474310 /nfs/dbraw/zinc/47/43/10/563474310.db2.gz GQLHTOMAJQENBG-HWKANZROSA-N 0 0 322.408 4.163 50 0 DIAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)CCCc1cccs1 ZINC000055369579 563474650 /nfs/dbraw/zinc/47/46/50/563474650.db2.gz UAQLYROGYJMILB-OAHLLOKOSA-N 0 0 316.470 4.293 50 0 DIAARN CC[C@H](C)N(C(=O)Cc1ccc(O)c(Cl)c1)C1CCCC1 ZINC000055404892 563475337 /nfs/dbraw/zinc/47/53/37/563475337.db2.gz PIXNUWBMYGVRLZ-LBPRGKRZSA-N 0 0 309.837 4.158 50 0 DIAARN Cc1ccc2c(c1)-c1c(cnc3cc(-c4ccccc4)nn31)CO2 ZINC000013828448 563477306 /nfs/dbraw/zinc/47/73/06/563477306.db2.gz YZHXMFUIUXZFQY-UHFFFAOYSA-N 0 0 313.360 4.264 50 0 DIAARN C[C@@H]1CCc2ccccc2N1Cc1nc(Cc2ccccc2)no1 ZINC000058016618 563478059 /nfs/dbraw/zinc/47/80/59/563478059.db2.gz DSYCTDYOKKRFBF-OAHLLOKOSA-N 0 0 319.408 4.002 50 0 DIAARN Cc1cccc(OCC(=O)N2CCCc3cccc(Cl)c32)c1 ZINC000058266698 563478907 /nfs/dbraw/zinc/47/89/07/563478907.db2.gz ZWCURUOKDBJALI-UHFFFAOYSA-N 0 0 315.800 4.007 50 0 DIAARN COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000011210622 563483045 /nfs/dbraw/zinc/48/30/45/563483045.db2.gz JUEKOXJVZWUHKU-QGZVFWFLSA-N 0 0 315.800 4.230 50 0 DIAARN Cc1oc(-c2ccco2)nc1CSc1nncc2ccccc21 ZINC000096482517 563484437 /nfs/dbraw/zinc/48/44/37/563484437.db2.gz RJOHWKJUBDLACJ-UHFFFAOYSA-N 0 0 323.377 4.479 50 0 DIAARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1ccncc1Cl ZINC000063845889 563485427 /nfs/dbraw/zinc/48/54/27/563485427.db2.gz IYBHQQVNNLUQET-GFCCVEGCSA-N 0 0 306.793 4.015 50 0 DIAARN CC(C)Sc1ccccc1NC(=O)NCCc1cscn1 ZINC000096484137 563485650 /nfs/dbraw/zinc/48/56/50/563485650.db2.gz LDVVOIRKKJCXED-UHFFFAOYSA-N 0 0 321.471 4.008 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(CC)cc2)on1 ZINC000064984994 563486910 /nfs/dbraw/zinc/48/69/10/563486910.db2.gz XDWVJJFYWDFEQH-MRXNPFEDSA-N 0 0 313.401 4.168 50 0 DIAARN CC(C)c1cccc(Nc2nc3ccncc3n(C(C)C)c2=O)c1 ZINC000097945127 563487004 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HJNNFVQXLBNLLN-OAHLLOKOSA-N 0 0 308.425 4.238 50 0 DIAARN Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000107178 563570303 /nfs/dbraw/zinc/57/03/03/563570303.db2.gz MRZOETDLMHTGJW-HNNXBMFYSA-N 0 0 320.367 4.233 50 0 DIAARN CC(C)NC(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000000115432 563571012 /nfs/dbraw/zinc/57/10/12/563571012.db2.gz FAZZQYAOJGTVCU-UHFFFAOYSA-N 0 0 309.365 4.150 50 0 DIAARN CCc1ccc(OCC(=O)Oc2ccc3ccccc3c2)cc1 ZINC000000123948 563571411 /nfs/dbraw/zinc/57/14/11/563571411.db2.gz QTYSZLBKWYGXDQ-UHFFFAOYSA-N 0 0 306.361 4.387 50 0 DIAARN CC(C)Oc1cccc([C@@H]2CC(=O)c3cc(F)ccc3O2)c1 ZINC000000125042 563571721 /nfs/dbraw/zinc/57/17/21/563571721.db2.gz GRGPNZNNKWKELK-SFHVURJKSA-N 0 0 300.329 4.319 50 0 biogenic DIAARN Cc1ccc(NC(=O)c2ccccc2C)c(Br)c1 ZINC000000128745 563572056 /nfs/dbraw/zinc/57/20/56/563572056.db2.gz KGDNFTHJKBOOAI-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 ZINC000000144461 563573250 /nfs/dbraw/zinc/57/32/50/563573250.db2.gz USYIEIDNTHGGFS-UHFFFAOYSA-N 0 0 313.397 4.108 50 0 DIAARN COc1ccc([C@H]2CC(=O)c3cc(C)cc(C)c3O2)cc1OC ZINC000000150935 563573826 /nfs/dbraw/zinc/57/38/26/563573826.db2.gz WEFWMKYUKWLVQX-QGZVFWFLSA-N 0 0 312.365 4.027 50 0 DIAARN COc1ccc(Sc2nc3ccccc3nc2Cl)cc1 ZINC000000160087 563573882 /nfs/dbraw/zinc/57/38/82/563573882.db2.gz MJQQZGLVLLEYSG-UHFFFAOYSA-N 0 0 302.786 4.443 50 0 DIAARN COc1cccc(Sc2cc(Br)ccc2C=O)c1 ZINC000111525069 563574595 /nfs/dbraw/zinc/57/45/95/563574595.db2.gz FATOOELYSSMSBH-UHFFFAOYSA-N 0 0 323.211 4.421 50 0 DIAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000000177110 563575206 /nfs/dbraw/zinc/57/52/06/563575206.db2.gz CWWQHPFRIILYJC-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN Cc1ccsc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000000177597 563575223 /nfs/dbraw/zinc/57/52/23/563575223.db2.gz OGWATZMAMJFOQZ-WQLSENKSSA-N 0 0 303.770 4.054 50 0 DIAARN CCOc1ccccc1/C=C1\N=C(c2ccc(C)c(C)c2)OC1=O ZINC000000177145 563575295 /nfs/dbraw/zinc/57/52/95/563575295.db2.gz JOSDABPMMYIHFG-ATVHPVEESA-N 0 0 321.376 4.047 50 0 DIAARN COc1ccc(Cl)cc1C(=O)Oc1cccc2cccnc21 ZINC000000178991 563575678 /nfs/dbraw/zinc/57/56/78/563575678.db2.gz MERSMUKFXKVJFX-UHFFFAOYSA-N 0 0 313.740 4.116 50 0 DIAARN O[C@@H](CNc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000000197953 563577181 /nfs/dbraw/zinc/57/71/81/563577181.db2.gz NORJWXUNKBLRFK-KRWDZBQOSA-N 0 0 316.404 4.268 50 0 DIAARN Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)n1 ZINC000014683671 563578628 /nfs/dbraw/zinc/57/86/28/563578628.db2.gz SPCUWTGFTPCDDH-UHFFFAOYSA-N 0 0 324.355 4.360 50 0 DIAARN CCc1nc(-c2ccc(OC)cc2)cc2cc(OC)c(OC)cc21 ZINC000000245161 563580849 /nfs/dbraw/zinc/58/08/49/563580849.db2.gz BUGSYDKUGSZGRS-UHFFFAOYSA-N 0 0 323.392 4.490 50 0 biogenic DIAARN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000249828 563582483 /nfs/dbraw/zinc/58/24/83/563582483.db2.gz MMFMETRFZYIPFE-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN Cc1ccc2oc(C)c(C(=O)c3ccccc3Cl)c(=O)c2c1 ZINC000000265233 563583599 /nfs/dbraw/zinc/58/35/99/563583599.db2.gz ZADPSGSOKDWVGI-UHFFFAOYSA-N 0 0 312.752 4.294 50 0 DIAARN Cc1ccccc1-n1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000316033 563587734 /nfs/dbraw/zinc/58/77/34/563587734.db2.gz ICHMGOPBPYWDOO-NSHDSACASA-N 0 0 324.449 4.189 50 0 DIAARN O[C@H]1c2ccccc2CSc2ccc(Br)cc21 ZINC000000346230 563589454 /nfs/dbraw/zinc/58/94/54/563589454.db2.gz XVMFFXVKTTYDSY-AWEZNQCLSA-N 0 0 307.212 4.137 50 0 DIAARN C[C@@H](c1cccc2ccccc21)N(C(=O)Cc1ccon1)C1CC1 ZINC000073055005 563590165 /nfs/dbraw/zinc/59/01/65/563590165.db2.gz TWYHEHMPAMDPQA-AWEZNQCLSA-N 0 0 320.392 4.123 50 0 DIAARN O=C(CSC(=S)N1CCCCC1)c1ccc(Cl)cc1 ZINC000000364032 563590795 /nfs/dbraw/zinc/59/07/95/563590795.db2.gz IOZKIOZIBLUPQD-UHFFFAOYSA-N 0 0 313.875 4.027 50 0 DIAARN Cc1c(C(=O)Nc2c(C)cccc2C)cnn1-c1ccccc1 ZINC000000385032 563591722 /nfs/dbraw/zinc/59/17/22/563591722.db2.gz JNEIXWFYCAEGHI-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN O=C(Nc1ccccc1F)c1sc(Cl)nc1C(F)(F)F ZINC000000384908 563591951 /nfs/dbraw/zinc/59/19/51/563591951.db2.gz QYOSDSIJCNMKGY-UHFFFAOYSA-N 0 0 324.686 4.207 50 0 DIAARN C[C@H](NC(=O)/C=C\c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000033456170 563592171 /nfs/dbraw/zinc/59/21/71/563592171.db2.gz QBPNNMPWFZJZHQ-GEIBGIGESA-N 0 0 315.482 4.482 50 0 DIAARN Cc1sc2[nH]c(C=Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000033470935 563592184 /nfs/dbraw/zinc/59/21/84/563592184.db2.gz RQIHEVILBIXANX-YVMONPNESA-N 0 0 316.813 4.425 50 0 DIAARN O=C1OC(=CNc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000100324701 563592318 /nfs/dbraw/zinc/59/23/18/563592318.db2.gz CLJULSVEKMNLNY-ZROIWOOFSA-N 0 0 305.255 4.286 50 0 DIAARN CCCCCc1nnc(NC(=O)/C=C\c2cccc(F)c2)s1 ZINC000033469863 563592451 /nfs/dbraw/zinc/59/24/51/563592451.db2.gz ZPSYIRDRSXOJFB-KTKRTIGZSA-N 0 0 319.405 4.062 50 0 DIAARN CC(C)(C)c1ccc([C@H]2CC(=O)N(c3ccccc3)C2=O)s1 ZINC000100488829 563594679 /nfs/dbraw/zinc/59/46/79/563594679.db2.gz DMHKHKUBENAVAE-CYBMUJFWSA-N 0 0 313.422 4.093 50 0 DIAARN O=C(Nc1nsc(-c2ccccc2)n1)c1ccccc1Cl ZINC000000387303 563595231 /nfs/dbraw/zinc/59/52/31/563595231.db2.gz OURYNVWVAKLLLY-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN CCCCN(CC)c1cc(Oc2ccc(F)cc2C)ncn1 ZINC000037379037 563596673 /nfs/dbraw/zinc/59/66/73/563596673.db2.gz YGHJZNILHIMPLS-UHFFFAOYSA-N 0 0 303.381 4.343 50 0 DIAARN COc1ccc(-c2cc(=O)oc3cc(OC)c(Cl)cc32)cc1 ZINC000011865512 563600423 /nfs/dbraw/zinc/60/04/23/563600423.db2.gz FQYSVDXKWNDDHX-UHFFFAOYSA-N 0 0 316.740 4.131 50 0 biogenic DIAARN O=C(CSc1nccn1C1CC1)Nc1cccc2ccccc21 ZINC000011891323 563601298 /nfs/dbraw/zinc/60/12/98/563601298.db2.gz DBUJRGCSLWKTEI-UHFFFAOYSA-N 0 0 323.421 4.102 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915689 563602225 /nfs/dbraw/zinc/60/22/25/563602225.db2.gz YQHVLRJNYKHKTR-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN Cc1ccc(CSc2nc(-c3cccc(C)c3)cc(=O)[nH]2)cc1 ZINC000012016205 563603706 /nfs/dbraw/zinc/60/37/06/563603706.db2.gz NLEONIJECPFOTI-UHFFFAOYSA-N 0 0 322.433 4.346 50 0 DIAARN O=c1c2ccccc2nc(C(F)(F)F)n1-c1ccc(Cl)cc1 ZINC000000363200 563608391 /nfs/dbraw/zinc/60/83/91/563608391.db2.gz KVXFYDMVZINQFE-UHFFFAOYSA-N 0 0 324.689 4.058 50 0 DIAARN Cc1cc(Cl)ncc1NC(=O)c1ccc(-n2cccc2)cc1 ZINC000135922111 563609329 /nfs/dbraw/zinc/60/93/29/563609329.db2.gz VGVKTVIDFGALAK-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)C1(C)C ZINC000252587047 563610992 /nfs/dbraw/zinc/61/09/92/563610992.db2.gz VHXQRCXATDGOSM-QBPKDAKJSA-N 0 0 321.505 4.182 50 0 DIAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)C1CCCCC1 ZINC000000418044 563611385 /nfs/dbraw/zinc/61/13/85/563611385.db2.gz FATQQRRRWWYSPG-UHFFFAOYSA-N 0 0 312.438 4.428 50 0 DIAARN Cc1nc2sc3c(c2c2nnc(SC(C)C)n21)CCCC3 ZINC000000413206 563611495 /nfs/dbraw/zinc/61/14/95/563611495.db2.gz XGSBOMDVBKXFCM-UHFFFAOYSA-N 0 0 318.471 4.027 50 0 DIAARN Cc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000424093 563611911 /nfs/dbraw/zinc/61/19/11/563611911.db2.gz NZLOHUVEULHDHZ-MRXNPFEDSA-N 0 0 303.814 4.427 50 0 DIAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(F)c2)cc1 ZINC000000423858 563612021 /nfs/dbraw/zinc/61/20/21/563612021.db2.gz TUDNJCLXPYUGAH-QGZVFWFLSA-N 0 0 317.385 4.003 50 0 DIAARN Fc1cccc(Cl)c1Cc1nc(-c2c(F)cccc2F)no1 ZINC000000426173 563613233 /nfs/dbraw/zinc/61/32/33/563613233.db2.gz IAJFGPPFYDLBQX-UHFFFAOYSA-N 0 0 324.689 4.398 50 0 DIAARN O=C1CSC2(CCCCC2)N1c1cccc(C(F)(F)F)c1 ZINC000000210945 563613358 /nfs/dbraw/zinc/61/33/58/563613358.db2.gz OPBJTVSQSSJPIH-UHFFFAOYSA-N 0 0 315.360 4.446 50 0 DIAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccccc1F ZINC000000430427 563614016 /nfs/dbraw/zinc/61/40/16/563614016.db2.gz SXTGCVMQCVJMTG-LDADJPATSA-N 0 0 317.319 4.323 50 0 DIAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1Cl ZINC000000430384 563614037 /nfs/dbraw/zinc/61/40/37/563614037.db2.gz CTBVEQIPSDVXQF-ZROIWOOFSA-N 0 0 318.159 4.338 50 0 DIAARN COc1ccc2c(Cl)c(C(=O)Nc3cc(C)on3)sc2c1 ZINC000000437978 563614531 /nfs/dbraw/zinc/61/45/31/563614531.db2.gz UKIQEMMGZULELC-UHFFFAOYSA-N 0 0 322.773 4.112 50 0 DIAARN CC(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000000217204 563614946 /nfs/dbraw/zinc/61/49/46/563614946.db2.gz CBPHAOPIJKCYCE-UHFFFAOYSA-N 0 0 319.408 4.073 50 0 biogenic DIAARN Cc1nc2ccc(C(=O)NC3CCCCCCC3)cc2nc1C ZINC000000217472 563615201 /nfs/dbraw/zinc/61/52/01/563615201.db2.gz IHXIDSYEYGIFEC-UHFFFAOYSA-N 0 0 311.429 4.089 50 0 DIAARN Cc1ncc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)o1 ZINC000073952215 563616401 /nfs/dbraw/zinc/61/64/01/563616401.db2.gz APQNUQRCVAPUCY-UHFFFAOYSA-N 0 0 318.376 4.320 50 0 DIAARN CC(C)n1c2ccccc2nc1NCc1nc2ccccc2n1C ZINC000000463155 563617658 /nfs/dbraw/zinc/61/76/58/563617658.db2.gz HNZKSJRTXOGZBN-UHFFFAOYSA-N 0 0 319.412 4.116 50 0 DIAARN CCCN(C(=O)c1ccoc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874869 563617876 /nfs/dbraw/zinc/61/78/76/563617876.db2.gz YCJKRRATOMSJDY-IAGOWNOFSA-N 0 0 319.445 4.260 50 0 DIAARN CCCOc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1 ZINC000002370159 563619521 /nfs/dbraw/zinc/61/95/21/563619521.db2.gz UEYZMEJPQPYKTN-UHFFFAOYSA-N 0 0 321.376 4.477 50 0 DIAARN Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000002631193 563621632 /nfs/dbraw/zinc/62/16/32/563621632.db2.gz NMHCBVLPUJRWIW-UHFFFAOYSA-N 0 0 323.417 4.463 50 0 DIAARN O=C(Nc1nsc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000003071173 563622415 /nfs/dbraw/zinc/62/24/15/563622415.db2.gz WQGZCYDZILGTOQ-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)cccc1F ZINC000000180441 563622825 /nfs/dbraw/zinc/62/28/25/563622825.db2.gz LBKVBBNSZRTONZ-UHFFFAOYSA-N 0 0 324.739 4.480 50 0 DIAARN Cc1nc(N)sc1-c1ccnc(C(C)(C)c2ccc(C)cc2)n1 ZINC000095629759 563623738 /nfs/dbraw/zinc/62/37/38/563623738.db2.gz VVSQWMGZKWUMNM-UHFFFAOYSA-N 0 0 324.453 4.125 50 0 DIAARN CCOc1ccc2ccccc2c1C(=O)N[C@@H](C)Cc1ccoc1 ZINC000206662881 563624078 /nfs/dbraw/zinc/62/40/78/563624078.db2.gz SUOFVNRISRZNJB-AWEZNQCLSA-N 0 0 323.392 4.193 50 0 DIAARN O=C(OCc1cc(-c2ccco2)on1)c1cc2ccccc2o1 ZINC000008501356 563625546 /nfs/dbraw/zinc/62/55/46/563625546.db2.gz PJQATPZVMAZNTA-UHFFFAOYSA-N 0 0 309.277 4.038 50 0 DIAARN CCc1ccccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000003136017 563625678 /nfs/dbraw/zinc/62/56/78/563625678.db2.gz IQBWMRDUNVHDNF-UHFFFAOYSA-N 0 0 306.365 4.465 50 0 DIAARN O=C(Nc1ccc2nsnc2c1)Nc1cccc2ccccc21 ZINC000000312932 563629253 /nfs/dbraw/zinc/62/92/53/563629253.db2.gz PTSVEFPAGZCJTE-UHFFFAOYSA-N 0 0 320.377 4.489 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)c(C)c1 ZINC000000364806 563629871 /nfs/dbraw/zinc/62/98/71/563629871.db2.gz RCWUTZDTRJIYDN-UHFFFAOYSA-N 0 0 312.413 4.102 50 0 DIAARN C[C@H](O)c1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000001017194 563632912 /nfs/dbraw/zinc/63/29/12/563632912.db2.gz QTKCCGREESNVSC-AWEZNQCLSA-N 0 0 305.377 4.074 50 0 DIAARN C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000017791993 563633610 /nfs/dbraw/zinc/63/36/10/563633610.db2.gz VUFVXCHNEYQNCF-OAHLLOKOSA-N 0 0 318.376 4.365 50 0 DIAARN CCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000003147275 563638013 /nfs/dbraw/zinc/63/80/13/563638013.db2.gz IVDDQJSSWCHMRB-JXAWBTAJSA-N 0 0 321.376 4.210 50 0 DIAARN Cc1ccc2c(c1)nnn2CNc1ccc(Cl)c(Cl)c1 ZINC000003156629 563640432 /nfs/dbraw/zinc/64/04/32/563640432.db2.gz RXMMDQUPVWGVLI-UHFFFAOYSA-N 0 0 307.184 4.116 50 0 DIAARN CCc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc1 ZINC000100983260 563647248 /nfs/dbraw/zinc/64/72/48/563647248.db2.gz LIPYBAIAMSKLLD-SFHVURJKSA-N 0 0 320.371 4.036 50 0 DIAARN O=C(c1ccnc2ccccc21)c1c(F)c(F)c(F)c(F)c1F ZINC000169725927 563647695 /nfs/dbraw/zinc/64/76/95/563647695.db2.gz OYJNGCBMBMMIQG-UHFFFAOYSA-N 0 0 323.220 4.161 50 0 DIAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2cccc(OC)c2o1 ZINC000000489039 563649261 /nfs/dbraw/zinc/64/92/61/563649261.db2.gz LGVNGNNLDKGLQW-UHFFFAOYSA-N 0 0 322.316 4.223 50 0 biogenic DIAARN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1Br ZINC000000492287 563650030 /nfs/dbraw/zinc/65/00/30/563650030.db2.gz RNRNGFWNMPQBSY-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN C=C1c2cc(OC)ccc2NC(=O)N1c1cccc(Cl)c1 ZINC000000499587 563652084 /nfs/dbraw/zinc/65/20/84/563652084.db2.gz MVWVCEDLVZHVGK-UHFFFAOYSA-N 0 0 300.745 4.371 50 0 DIAARN Cc1ccccc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000101091046 563652290 /nfs/dbraw/zinc/65/22/90/563652290.db2.gz GTOYBSRTUCMVKV-AWEZNQCLSA-N 0 0 316.198 4.036 50 0 DIAARN O=C(Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1F ZINC000012633628 563652890 /nfs/dbraw/zinc/65/28/90/563652890.db2.gz QDPZAXOTAWIBAC-UHFFFAOYSA-N 0 0 318.779 4.332 50 0 DIAARN CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc21 ZINC000012794885 563654083 /nfs/dbraw/zinc/65/40/83/563654083.db2.gz VJVSWJRPLSNXPL-HXUWFJFHSA-N 0 0 318.420 4.246 50 0 DIAARN Cc1csc(C2=C(N)N([C@@H](C)CCCC(C)C)CC2=O)n1 ZINC000102043838 563657606 /nfs/dbraw/zinc/65/76/06/563657606.db2.gz FANMQQTYMKMYBL-LBPRGKRZSA-N 0 0 307.463 4.228 50 0 DIAARN O=C(Cc1ccccc1Cl)NCCc1cccc2ccccc21 ZINC000046688318 563657678 /nfs/dbraw/zinc/65/76/78/563657678.db2.gz NFNOCJCFUYSIQZ-UHFFFAOYSA-N 0 0 323.823 4.395 50 0 DIAARN Cc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=Nc3ncnn32)c1 ZINC000102048208 563658370 /nfs/dbraw/zinc/65/83/70/563658370.db2.gz UJLHEHJSCJIHPJ-LJQANCHMSA-N 0 0 316.408 4.259 50 0 DIAARN c1ccc(COc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000509356 563658627 /nfs/dbraw/zinc/65/86/27/563658627.db2.gz BNDLNCNTFJKNQD-UHFFFAOYSA-N 0 0 313.360 4.271 50 0 DIAARN Cc1ccc([C@H](CC(=O)Nc2nccs2)c2ccco2)cc1 ZINC000000509438 563658915 /nfs/dbraw/zinc/65/89/15/563658915.db2.gz JOISWSVPICNUFD-AWEZNQCLSA-N 0 0 312.394 4.205 50 0 DIAARN CC(C)c1ccc([C@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 ZINC000102564601 563660214 /nfs/dbraw/zinc/66/02/14/563660214.db2.gz KHXGRNUSQSCJOM-LJQANCHMSA-N 0 0 316.408 4.458 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1ccc(Cl)nc1Cl ZINC000013571072 563660447 /nfs/dbraw/zinc/66/04/47/563660447.db2.gz XMVCILMJLIEDRU-UHFFFAOYSA-N 0 0 324.192 4.250 50 0 DIAARN CC(=O)Oc1ccc([C@@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000000519857 563662535 /nfs/dbraw/zinc/66/25/35/563662535.db2.gz SRZZJSRTPWVXAD-ONYVYNMZSA-N 0 0 300.398 4.148 50 0 DIAARN CCc1ccc(NC(=O)/C=C\C2=Cc3ccccc3OC2)cc1 ZINC000102968712 563663983 /nfs/dbraw/zinc/66/39/83/563663983.db2.gz NWNXQOQXISXLBL-XFXZXTDPSA-N 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301.365 4.110 50 0 DIAARN Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccccc3)n2C)s1 ZINC000225688049 563759505 /nfs/dbraw/zinc/75/95/05/563759505.db2.gz TZWNSRSGNYRHCB-CYBMUJFWSA-N 0 0 312.442 4.049 50 0 DIAARN C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(C(F)(F)F)cc1 ZINC000030114944 563761244 /nfs/dbraw/zinc/76/12/44/563761244.db2.gz JESAIVBXPYVTGC-QMMMGPOBSA-N 0 0 317.694 4.443 50 0 DIAARN CC(C)CCc1nnc(NCc2ncc(C(C)(C)C)s2)o1 ZINC000225730485 563761291 /nfs/dbraw/zinc/76/12/91/563761291.db2.gz GROPHBOOLUBSAO-UHFFFAOYSA-N 0 0 308.451 4.024 50 0 DIAARN Cc1ccc(-c2cc(NC(=O)Nc3ccc(F)cc3C)n[nH]2)o1 ZINC000225851660 563764750 /nfs/dbraw/zinc/76/47/50/563764750.db2.gz CDSXNBALJQVRMB-UHFFFAOYSA-N 0 0 314.320 4.070 50 0 DIAARN Cc1cc(C)n(-c2cc(Oc3cccc(Cl)c3)nc(C)n2)n1 ZINC000012390091 563768407 /nfs/dbraw/zinc/76/84/07/563768407.db2.gz FNCDJGNVIBSDID-UHFFFAOYSA-N 0 0 314.776 4.033 50 0 DIAARN Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)c(C)c1 ZINC000012392688 563769587 /nfs/dbraw/zinc/76/95/87/563769587.db2.gz YNIWCKDTFYGUDG-UHFFFAOYSA-N 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CYBNATSYQBPOTE-HNNXBMFYSA-N 0 0 306.450 4.222 50 0 DIAARN CC(C)Cc1ncc(CNc2ncc(C(F)(F)F)s2)s1 ZINC000241644613 563777201 /nfs/dbraw/zinc/77/72/01/563777201.db2.gz PSEPGROGBJIVLB-UHFFFAOYSA-N 0 0 321.393 4.429 50 0 DIAARN Cc1c2cc(F)ccc2oc1[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000241447028 563777351 /nfs/dbraw/zinc/77/73/51/563777351.db2.gz NQPBLLCMERHWRJ-QWHCGFSZSA-N 0 0 313.376 4.391 50 0 DIAARN O=C(NCC1(c2ccccc2)CCC1)c1ccoc1C(F)(F)F ZINC000241470635 563777413 /nfs/dbraw/zinc/77/74/13/563777413.db2.gz NWTSEASZAZYBOR-UHFFFAOYSA-N 0 0 323.314 4.150 50 0 DIAARN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000242302358 563778481 /nfs/dbraw/zinc/77/84/81/563778481.db2.gz YRTDKYXIJWNMJI-INIZCTEOSA-N 0 0 323.396 4.017 50 0 DIAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000248377920 563783373 /nfs/dbraw/zinc/78/33/73/563783373.db2.gz IBMZAHKIAAJREF-ZOVJPLRPSA-N 0 0 318.501 4.307 50 0 DIAARN CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000968235 563784931 /nfs/dbraw/zinc/78/49/31/563784931.db2.gz YLFRRPUBVUAHSR-LPVBTYDRSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Cl)c1 ZINC000000997951 563786316 /nfs/dbraw/zinc/78/63/16/563786316.db2.gz JDZGZZJXQBNIFK-LLVKDONJSA-N 0 0 303.764 4.461 50 0 DIAARN CCc1ccc(C(=O)Nc2nnc(CC3CCCC3)s2)s1 ZINC000001002845 563786861 /nfs/dbraw/zinc/78/68/61/563786861.db2.gz KEEZOSURCVLBQV-UHFFFAOYSA-N 0 0 321.471 4.147 50 0 DIAARN O=C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001005074 563786949 /nfs/dbraw/zinc/78/69/49/563786949.db2.gz IVSLTJBQEFWVGF-UHFFFAOYSA-N 0 0 315.416 4.458 50 0 DIAARN Cc1noc([C@@H](C)N2CCC(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000052464956 563788103 /nfs/dbraw/zinc/78/81/03/563788103.db2.gz WEYZOMRZFXCACO-CYBMUJFWSA-N 0 0 324.428 4.108 50 0 DIAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1C ZINC000001099216 563788798 /nfs/dbraw/zinc/78/87/98/563788798.db2.gz KKQJWTXKKKCRRH-UHFFFAOYSA-N 0 0 323.845 4.374 50 0 DIAARN COCCC[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000182370683 563793654 /nfs/dbraw/zinc/79/36/54/563793654.db2.gz DBCYQTXEKBTZRH-XJKSGUPXSA-N 0 0 309.837 4.066 50 0 DIAARN Fc1c(Br)ccc(Br)c1C(F)(F)F ZINC000263624303 563794484 /nfs/dbraw/zinc/79/44/84/563794484.db2.gz PDMACOHNQSBEGJ-UHFFFAOYSA-N 0 0 321.893 4.370 50 0 DIAARN CC(=O)c1c(Cl)cc(C(F)(F)F)cc1Br ZINC000263623553 563794786 /nfs/dbraw/zinc/79/47/86/563794786.db2.gz ILLLKRWQLIDYIZ-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN Cc1nc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cs1 ZINC000183447611 563795178 /nfs/dbraw/zinc/79/51/78/563795178.db2.gz DTUMZHHXCNNPLI-LBPRGKRZSA-N 0 0 322.302 4.123 50 0 DIAARN Fc1cc2cccnc2c(COc2ccc(-c3nnco3)cc2)c1 ZINC000031608412 563796220 /nfs/dbraw/zinc/79/62/20/563796220.db2.gz FLLBEBYNASRGRR-UHFFFAOYSA-N 0 0 321.311 4.003 50 0 DIAARN CCCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 ZINC000001810883 563796310 /nfs/dbraw/zinc/79/63/10/563796310.db2.gz AASZRCLYEMNZAZ-MDWZMJQESA-N 0 0 311.381 4.136 50 0 DIAARN Cc1cccc(OCCCCn2c3ccccc3nc2[C@H](C)O)c1 ZINC000001926800 563796965 /nfs/dbraw/zinc/79/69/65/563796965.db2.gz AAWQIRVKISVJQL-INIZCTEOSA-N 0 0 324.424 4.257 50 0 DIAARN O=C1N[C@H](c2ccc(SC(F)(F)F)cc2)Nc2ccccc21 ZINC000012526508 563797570 /nfs/dbraw/zinc/79/75/70/563797570.db2.gz ONQJSTCKYLJCLS-CYBMUJFWSA-N 0 0 324.327 4.153 50 0 DIAARN CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OC)cc1 ZINC000001986104 563797724 /nfs/dbraw/zinc/79/77/24/563797724.db2.gz VQFGVJGICHQKAG-SDNWHVSQSA-N 0 0 309.409 4.472 50 0 DIAARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000012533136 563798137 /nfs/dbraw/zinc/79/81/37/563798137.db2.gz VFEYKYQTLWIFHW-INIZCTEOSA-N 0 0 324.424 4.001 50 0 DIAARN C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1 ZINC000012533149 563798584 /nfs/dbraw/zinc/79/85/84/563798584.db2.gz VOUHJBFOVGEMJR-OAHLLOKOSA-N 0 0 318.376 4.365 50 0 DIAARN COc1ccc(NC(=O)c2ccc(N(C)C)cc2)c2ccccc12 ZINC000003202771 563798941 /nfs/dbraw/zinc/79/89/41/563798941.db2.gz RVEDQZQTEJCTNP-UHFFFAOYSA-N 0 0 320.392 4.167 50 0 DIAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(C)=O ZINC000003236540 563799753 /nfs/dbraw/zinc/79/97/53/563799753.db2.gz RYRBMUSHEMHBEW-UHFFFAOYSA-N 0 0 323.801 4.204 50 0 DIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)cc1 ZINC000012546359 563800162 /nfs/dbraw/zinc/80/01/62/563800162.db2.gz KQVGJKCLBVEHCI-CYBMUJFWSA-N 0 0 310.422 4.245 50 0 DIAARN O=C(Nc1cc(Cl)cc2cccnc21)c1ccc(F)c(F)c1 ZINC000012545059 563800463 /nfs/dbraw/zinc/80/04/63/563800463.db2.gz DRODMJKXLBSMTA-UHFFFAOYSA-N 0 0 318.710 4.419 50 0 DIAARN Cn1ccnc1Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000012546289 563800713 /nfs/dbraw/zinc/80/07/13/563800713.db2.gz WCABJKJLYNCKBH-UHFFFAOYSA-N 0 0 324.434 4.243 50 0 DIAARN O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCCO1 ZINC000012574062 563801566 /nfs/dbraw/zinc/80/15/66/563801566.db2.gz FBQGGYPXABOQCB-KRWDZBQOSA-N 0 0 315.800 4.026 50 0 DIAARN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1F ZINC000012562206 563802021 /nfs/dbraw/zinc/80/20/21/563802021.db2.gz FPRVYGLUTCBBSQ-CYBMUJFWSA-N 0 0 312.388 4.062 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(C)cc2)cc1 ZINC000044253371 563802079 /nfs/dbraw/zinc/80/20/79/563802079.db2.gz PHCMZNXVMYVQEO-LJQANCHMSA-N 0 0 324.424 4.050 50 0 DIAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)[C@@H]1CC=CCC1 ZINC000012596367 563802930 /nfs/dbraw/zinc/80/29/30/563802930.db2.gz OTTMXDFNIBYWCM-CYBMUJFWSA-N 0 0 304.821 4.235 50 0 DIAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 ZINC000012619629 563804230 /nfs/dbraw/zinc/80/42/30/563804230.db2.gz VXCRGNDMDMFJGH-UHFFFAOYSA-N 0 0 306.365 4.221 50 0 DIAARN Cc1ccccc1-c1ccc(NC(=O)N2CCCC[C@H]2CO)cc1 ZINC000299781105 563805847 /nfs/dbraw/zinc/80/58/47/563805847.db2.gz SQLQYLYLRAZJBS-SFHVURJKSA-N 0 0 324.424 4.041 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)N(C)CCC1CCOCC1 ZINC000299787294 563806411 /nfs/dbraw/zinc/80/64/11/563806411.db2.gz SMBNRWQQAGTHRX-HNNXBMFYSA-N 0 0 318.461 4.481 50 0 DIAARN CCOc1ccc2[nH]c(SCc3ccccc3F)nc2c1 ZINC000012654231 563809519 /nfs/dbraw/zinc/80/95/19/563809519.db2.gz WVUREBWFYSIQHZ-UHFFFAOYSA-N 0 0 302.374 4.393 50 0 DIAARN Cc1ccccc1CN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000012696895 563812343 /nfs/dbraw/zinc/81/23/43/563812343.db2.gz WJZUXRRMVUZAHR-UHFFFAOYSA-N 0 0 306.409 4.068 50 0 DIAARN Cn1c2ccccc2nc(Oc2ccc(Cl)c(Cl)c2)c1=O ZINC000001382195 563813456 /nfs/dbraw/zinc/81/34/56/563813456.db2.gz BXJCIIULCWDPGN-UHFFFAOYSA-N 0 0 321.163 4.033 50 0 DIAARN CN(C)c1c(Cl)cccc1NC(=O)NC1CCCCCC1 ZINC000083852380 563813465 /nfs/dbraw/zinc/81/34/65/563813465.db2.gz ZCHWCRQENYONAU-UHFFFAOYSA-N 0 0 309.841 4.250 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N(Cc1ccc(F)cc1)C1CC1 ZINC000012729561 563813503 /nfs/dbraw/zinc/81/35/03/563813503.db2.gz UJSQJOOFWBGPNA-UHFFFAOYSA-N 0 0 320.314 4.300 50 0 DIAARN O=C(/C=C\c1ccccc1)OCc1cc(-c2ccc(F)cc2)on1 ZINC000012725948 563813785 /nfs/dbraw/zinc/81/37/85/563813785.db2.gz ZBHUHJFCZGHJJS-WDZFZDKYSA-N 0 0 323.323 4.237 50 0 DIAARN O=C(N/C=C/c1ccco1)OCc1c(Cl)cccc1Cl ZINC000001382456 563814574 /nfs/dbraw/zinc/81/45/74/563814574.db2.gz XKFSVPKTDZYRAJ-VOTSOKGWSA-N 0 0 312.152 4.484 50 0 DIAARN CO[C@@H](c1c(Cl)n(C)nc1-c1ccccc1)c1ccccc1 ZINC000001392097 563817386 /nfs/dbraw/zinc/81/73/86/563817386.db2.gz GNFHAMHITFBPIH-QGZVFWFLSA-N 0 0 312.800 4.476 50 0 DIAARN O=C(Nc1ccc(Cl)cc1Cl)C1=Cc2ccccc2OC1 ZINC000001391515 563817625 /nfs/dbraw/zinc/81/76/25/563817625.db2.gz APLROQGNMZNGDV-UHFFFAOYSA-N 0 0 320.175 4.408 50 0 DIAARN O=C(OCc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012736899 563818008 /nfs/dbraw/zinc/81/80/08/563818008.db2.gz ZRZOJVZLEFVSTM-UHFFFAOYSA-N 0 0 318.376 4.107 50 0 DIAARN C[C@@H](NC(=O)NCCc1ccccc1)c1cccc2ccccc21 ZINC000012738202 563818149 /nfs/dbraw/zinc/81/81/49/563818149.db2.gz YSAGULDYIHGMBM-MRXNPFEDSA-N 0 0 318.420 4.443 50 0 DIAARN CC(=O)Oc1ccccc1C(=O)OCc1ccc2ccccc2c1 ZINC000000618102 563820351 /nfs/dbraw/zinc/82/03/51/563820351.db2.gz BNLMYQYBLOBGTJ-UHFFFAOYSA-N 0 0 320.344 4.122 50 0 DIAARN Cc1cccc(NC(=O)Cc2nc(-c3ccccc3)cs2)c1 ZINC000001415155 563821391 /nfs/dbraw/zinc/82/13/91/563821391.db2.gz IANNVZXCJGXHSE-UHFFFAOYSA-N 0 0 308.406 4.300 50 0 DIAARN Cc1c2c(nn1-c1ccccc1F)C[C@@H](c1ccccc1)CC2=O ZINC000001421731 563823016 /nfs/dbraw/zinc/82/30/16/563823016.db2.gz MEIKDGFDAOKECE-OAHLLOKOSA-N 0 0 320.367 4.233 50 0 DIAARN Cc1cc(-c2noc(Cc3ccccc3)n2)c2ccccc2n1 ZINC000001426592 563823774 /nfs/dbraw/zinc/82/37/74/563823774.db2.gz PSQPZSYSGIRRKN-UHFFFAOYSA-N 0 0 301.349 4.184 50 0 DIAARN Cc1cc(CNC(=O)/C=C/c2ccc(F)cc2)c2ccccc2n1 ZINC000001427397 563823917 /nfs/dbraw/zinc/82/39/17/563823917.db2.gz SCUNKMQCVXALQO-DHZHZOJOSA-N 0 0 320.367 4.012 50 0 DIAARN Cc1ccc([C@@H]2CSCCN2C(=O)Nc2ccccc2)cc1 ZINC000084148760 563824254 /nfs/dbraw/zinc/82/42/54/563824254.db2.gz JJEFSOAMVXBCFR-KRWDZBQOSA-N 0 0 312.438 4.317 50 0 DIAARN Cc1nc2ccc(NC(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)cc2o1 ZINC000084290322 563825826 /nfs/dbraw/zinc/82/58/26/563825826.db2.gz VKCXLRZTNNIHHQ-XHDPSFHLSA-N 0 0 324.380 4.424 50 0 DIAARN Cc1ccccc1[C@@H]1CCCN1C(=S)NCCc1ccccc1 ZINC000084235496 563825924 /nfs/dbraw/zinc/82/59/24/563825924.db2.gz UVANOXCVGPCKLV-IBGZPJMESA-N 0 0 324.493 4.249 50 0 DIAARN CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1cccc2[nH]ccc21 ZINC000084325610 563826136 /nfs/dbraw/zinc/82/61/36/563826136.db2.gz TVKSDBYWURGCSD-UHFFFAOYSA-N 0 0 322.412 4.249 50 0 DIAARN O=C(CSc1ccc(F)cc1F)NC1CCCCCCC1 ZINC000084344374 563826176 /nfs/dbraw/zinc/82/61/76/563826176.db2.gz RJVHPFINZGTTEI-UHFFFAOYSA-N 0 0 313.413 4.286 50 0 DIAARN O=C(c1cccc2[nH]ncc21)N(Cc1ccccc1)CC1CCC1 ZINC000084535645 563827421 /nfs/dbraw/zinc/82/74/21/563827421.db2.gz PDQXQMRQJFSFJI-UHFFFAOYSA-N 0 0 319.408 4.005 50 0 DIAARN Cc1cc(F)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000012770105 563827439 /nfs/dbraw/zinc/82/74/39/563827439.db2.gz CQVJANXYHYNCRF-NSHDSACASA-N 0 0 307.752 4.194 50 0 DIAARN c1ccc(CC[C@H]2CCCN2c2cnc3ccccc3n2)cc1 ZINC000084528501 563827634 /nfs/dbraw/zinc/82/76/34/563827634.db2.gz HEBWQBKNRHHKBS-QGZVFWFLSA-N 0 0 303.409 4.231 50 0 DIAARN Cc1nc2sc3c(c2c(Oc2cccnc2)n1)CCCCC3 ZINC000012770493 563828128 /nfs/dbraw/zinc/82/81/28/563828128.db2.gz GTSXGENCKDXHHB-UHFFFAOYSA-N 0 0 311.410 4.456 50 0 DIAARN CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCc2ccccc21 ZINC000012773585 563828316 /nfs/dbraw/zinc/82/83/16/563828316.db2.gz IJOTYTBUZBTTGH-INIZCTEOSA-N 0 0 303.764 4.239 50 0 DIAARN [O-][n+]1ccccc1SCCCOc1cccc2ccccc21 ZINC000084598613 563828456 /nfs/dbraw/zinc/82/84/56/563828456.db2.gz PLFPLOWNLXQBHR-UHFFFAOYSA-N 0 0 311.406 4.034 50 0 DIAARN S=C(NCc1cccs1)NCc1csc2ccccc12 ZINC000084593149 563828472 /nfs/dbraw/zinc/82/84/72/563828472.db2.gz UYGAWEDSKPAUSZ-UHFFFAOYSA-N 0 0 318.492 4.127 50 0 DIAARN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000084656157 563828975 /nfs/dbraw/zinc/82/89/75/563828975.db2.gz QWDFBTCKPFIVOJ-KEYYUXOJSA-N 0 0 302.418 4.190 50 0 DIAARN C[C@H]1CCCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000084697662 563829632 /nfs/dbraw/zinc/82/96/32/563829632.db2.gz NFHKJHREPDZZKK-LBPRGKRZSA-N 0 0 314.351 4.037 50 0 DIAARN CCc1nc(CSc2nc3ccccc3nc2C)cs1 ZINC000074114457 563830670 /nfs/dbraw/zinc/83/06/70/563830670.db2.gz ZMINQYBOQMAXLQ-UHFFFAOYSA-N 0 0 301.440 4.249 50 0 DIAARN CCNC(=S)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000084791107 563831312 /nfs/dbraw/zinc/83/13/12/563831312.db2.gz QYEVUBMKRXJBIV-QGZVFWFLSA-N 0 0 310.422 4.006 50 0 DIAARN Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000078876895 563831554 /nfs/dbraw/zinc/83/15/54/563831554.db2.gz FFVPECXZABNKMA-QWHCGFSZSA-N 0 0 324.302 4.052 50 0 DIAARN COc1ccc(CSCc2nc3ccccc3[nH]2)cc1OC ZINC000001447019 563834927 /nfs/dbraw/zinc/83/49/27/563834927.db2.gz DLNLAGVFHNZMIJ-UHFFFAOYSA-N 0 0 314.410 4.014 50 0 DIAARN CNc1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc21 ZINC000012809938 563835269 /nfs/dbraw/zinc/83/52/69/563835269.db2.gz YYPCGLSPBOIDTA-UHFFFAOYSA-N 0 0 318.405 4.462 50 0 DIAARN CCOc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CO2 ZINC000053184724 563835864 /nfs/dbraw/zinc/83/58/64/563835864.db2.gz RRQWNGSEMNJXDW-UHFFFAOYSA-N 0 0 303.789 4.091 50 0 DIAARN O=C(NC1CCCC1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000001457142 563835968 /nfs/dbraw/zinc/83/59/68/563835968.db2.gz JOHQNRUHBPTPGH-UHFFFAOYSA-N 0 0 313.828 4.228 50 0 DIAARN CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000012812520 563836115 /nfs/dbraw/zinc/83/61/15/563836115.db2.gz UZGURLVYMGSUNV-UHFFFAOYSA-N 0 0 302.786 4.226 50 0 DIAARN Cc1ccc(-c2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)o1 ZINC000012810551 563836132 /nfs/dbraw/zinc/83/61/32/563836132.db2.gz NIOARKATOWMHQB-UHFFFAOYSA-N 0 0 308.362 4.220 50 0 DIAARN COCc1ccc(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)o1 ZINC000012421893 563837344 /nfs/dbraw/zinc/83/73/44/563837344.db2.gz PMBONLFRXBXSNK-UHFFFAOYSA-N 0 0 324.380 4.152 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccccc1 ZINC000012817000 563837626 /nfs/dbraw/zinc/83/76/26/563837626.db2.gz UBWGEVSECUQPIP-UHFFFAOYSA-N 0 0 316.404 4.329 50 0 DIAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000001469233 563838172 /nfs/dbraw/zinc/83/81/72/563838172.db2.gz RPQDGGJOGWOPQR-ZDUSSCGKSA-N 0 0 315.800 4.005 50 0 DIAARN Cc1c(C(=O)Nc2ccc(C)cc2)cnn1-c1cccc(C)c1 ZINC000012821650 563840493 /nfs/dbraw/zinc/84/04/93/563840493.db2.gz SYTRKQPQYFLOTD-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN O=C(c1cccs1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000001502493 563841436 /nfs/dbraw/zinc/84/14/36/563841436.db2.gz PTQGFNUHDIADOW-UHFFFAOYSA-N 0 0 310.422 4.249 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCc2ccccc21 ZINC000012825327 563843965 /nfs/dbraw/zinc/84/39/65/563843965.db2.gz AFAXQSLCFKRANB-HNNXBMFYSA-N 0 0 315.800 4.407 50 0 DIAARN CCOc1ccc([C@H](C)NC(=O)c2cccc3cccnc32)cc1 ZINC000012844974 563844136 /nfs/dbraw/zinc/84/41/36/563844136.db2.gz YNBZMRLZOKCJPG-AWEZNQCLSA-N 0 0 320.392 4.125 50 0 DIAARN Cc1cccc(C(=O)Nc2cccc(C3SCCS3)c2)n1 ZINC000012850063 563844143 /nfs/dbraw/zinc/84/41/43/563844143.db2.gz UPCWNKHHLJHHGW-UHFFFAOYSA-N 0 0 316.451 4.121 50 0 DIAARN Cc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000012850002 563844371 /nfs/dbraw/zinc/84/43/71/563844371.db2.gz NCKOIVASMFDOOK-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN CC(=O)Nc1cccc(NCc2csc(C3CCCC3)n2)c1 ZINC000086197830 563844706 /nfs/dbraw/zinc/84/47/06/563844706.db2.gz GHXSYRJPGCLOMS-UHFFFAOYSA-N 0 0 315.442 4.371 50 0 DIAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccc(F)c1 ZINC000012855096 563844768 /nfs/dbraw/zinc/84/47/68/563844768.db2.gz CPHJZLXIIXXXGN-MRXNPFEDSA-N 0 0 303.764 4.360 50 0 DIAARN COc1ccc(SC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000000400341 563846823 /nfs/dbraw/zinc/84/68/23/563846823.db2.gz AKAAVAWWYVTBIK-UHFFFAOYSA-N 0 0 319.382 4.037 50 0 DIAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccncc1 ZINC000002167909 563847404 /nfs/dbraw/zinc/84/74/04/563847404.db2.gz WPJPOBKVFMHURP-UHFFFAOYSA-N 0 0 316.666 4.365 50 0 DIAARN Cc1cc(C)c2ccc(NC(=S)Nc3ccccc3)nc2n1 ZINC000045068471 563847994 /nfs/dbraw/zinc/84/79/94/563847994.db2.gz KPEOYGRCIFZSJN-UHFFFAOYSA-N 0 0 308.410 4.056 50 0 DIAARN C[Si](C)(C)[C@]1(S(=O)(=O)c2ccccc2)CC2CCC1CC2 ZINC000169828456 563849505 /nfs/dbraw/zinc/84/95/05/563849505.db2.gz SVNOFLTYVAKKDO-VMBOVVBDSA-N 0 0 322.546 4.287 50 0 DIAARN C[C@H](NC(=O)c1cccc2cccnc21)c1ccc(F)c(F)c1 ZINC000012901900 563853182 /nfs/dbraw/zinc/85/31/82/563853182.db2.gz VAUQMTJHDBYEPK-NSHDSACASA-N 0 0 312.319 4.004 50 0 DIAARN CCc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1 ZINC000012913754 563853968 /nfs/dbraw/zinc/85/39/68/563853968.db2.gz ATBSGJZAXRNDBX-UHFFFAOYSA-N 0 0 321.380 4.223 50 0 DIAARN Cc1ccsc1C(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000074518704 563853983 /nfs/dbraw/zinc/85/39/83/563853983.db2.gz LUWCPGBRRLNNGG-CVEARBPZSA-N 0 0 315.438 4.015 50 0 DIAARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)c2cccnc12 ZINC000012923328 563854479 /nfs/dbraw/zinc/85/44/79/563854479.db2.gz NMMPCNYTGBUUSB-QGZVFWFLSA-N 0 0 320.417 4.199 50 0 DIAARN O=C(Nc1ccccc1F)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012926719 563854888 /nfs/dbraw/zinc/85/48/88/563854888.db2.gz LOJKCXBDRKTHHN-CYBMUJFWSA-N 0 0 320.364 4.323 50 0 DIAARN COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccccc1 ZINC000012936135 563857615 /nfs/dbraw/zinc/85/76/15/563857615.db2.gz KZCOWCOPUZSPOQ-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN COc1cccc(CCC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC000075107503 563859826 /nfs/dbraw/zinc/85/98/26/563859826.db2.gz HGZVRDMESLISHZ-UZLBHIALSA-N 0 0 323.436 4.032 50 0 DIAARN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl ZINC000075107186 563859898 /nfs/dbraw/zinc/85/98/98/563859898.db2.gz ILMOLADZJLPHSM-OCCSQVGLSA-N 0 0 317.791 4.497 50 0 DIAARN CCCCOc1ccc(CCNC(=O)C2(CC)CCC2)cc1 ZINC000075107009 563859931 /nfs/dbraw/zinc/85/99/31/563859931.db2.gz XDKMVJVNDZAVAV-UHFFFAOYSA-N 0 0 303.446 4.105 50 0 DIAARN COc1cc(NC(=O)NC(C)(C)CC(C)(C)C)cc(OC)c1 ZINC000075109428 563860403 /nfs/dbraw/zinc/86/04/03/563860403.db2.gz OPQUDNHWLDBQNS-UHFFFAOYSA-N 0 0 308.422 4.040 50 0 DIAARN O=C(CCCc1ccccc1)N(CCc1cccs1)C1CC1 ZINC000075154787 563860669 /nfs/dbraw/zinc/86/06/69/563860669.db2.gz XEGKJISSQBRLGJ-UHFFFAOYSA-N 0 0 313.466 4.305 50 0 DIAARN O=C([C@H]1CC=CCC1)N(CCc1ccccc1)Cc1ccccn1 ZINC000075170141 563861250 /nfs/dbraw/zinc/86/12/50/563861250.db2.gz MHPKVBRCFZUECX-IBGZPJMESA-N 0 0 320.436 4.009 50 0 DIAARN CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C ZINC000575473221 563861395 /nfs/dbraw/zinc/86/13/95/563861395.db2.gz OIFLGTCGHIBICZ-LLVKDONJSA-N 0 0 313.397 4.108 50 0 DIAARN CCC(=O)N1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000075249402 563861847 /nfs/dbraw/zinc/86/18/47/563861847.db2.gz BAHVJWHAQCLNEW-MRXNPFEDSA-N 0 0 311.406 4.193 50 0 DIAARN Cc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1C ZINC000075260475 563862222 /nfs/dbraw/zinc/86/22/22/563862222.db2.gz GETNBFWLFBDTGF-UHFFFAOYSA-N 0 0 304.393 4.133 50 0 DIAARN Cc1cccc(Oc2cc(N)cc(NC(=O)c3ccncc3)c2)c1 ZINC000075279612 563862757 /nfs/dbraw/zinc/86/27/57/563862757.db2.gz GRMWWRMHDSCRSX-UHFFFAOYSA-N 0 0 319.364 4.017 50 0 DIAARN Cc1cccc(N[P@](=O)(Oc2ccccc2)c2ccccc2)n1 ZINC000075287190 563863098 /nfs/dbraw/zinc/86/30/98/563863098.db2.gz AZZTWNXEEPQLQK-HSZRJFAPSA-N 0 0 324.320 4.400 50 0 DIAARN Cc1ccc2ccc3cc(C(=O)Nc4ccccc4)[nH]c3c2n1 ZINC000075346770 563863710 /nfs/dbraw/zinc/86/37/10/563863710.db2.gz FMLASILKPYBRJZ-UHFFFAOYSA-N 0 0 301.349 4.277 50 0 DIAARN O=C(Nc1cccc(F)c1)c1cc2ccc3cccnc3c2[nH]1 ZINC000075346807 563863721 /nfs/dbraw/zinc/86/37/21/563863721.db2.gz BKCNCGSZIYUNMS-UHFFFAOYSA-N 0 0 305.312 4.108 50 0 DIAARN CC[C@H](C(=O)NCc1ccc(-c2ccoc2)o1)c1ccccc1 ZINC000575610454 563865509 /nfs/dbraw/zinc/86/55/09/563865509.db2.gz NGYZGJRLMQYTFT-KRWDZBQOSA-N 0 0 309.365 4.350 50 0 DIAARN O=C(NCc1ccc(-c2ccsc2)o1)Nc1cccs1 ZINC000575609827 563865678 /nfs/dbraw/zinc/86/56/78/563865678.db2.gz HVGQQSHRAAUFGE-UHFFFAOYSA-N 0 0 304.396 4.391 50 0 DIAARN CSc1ccccc1C(=O)N1CCc2sc(Cl)cc2C1 ZINC000575616606 563867069 /nfs/dbraw/zinc/86/70/69/563867069.db2.gz RHRXJKOXVDLXII-UHFFFAOYSA-N 0 0 323.870 4.322 50 0 DIAARN Cc1nn(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc12 ZINC000035422258 563867302 /nfs/dbraw/zinc/86/73/02/563867302.db2.gz XFEZSIJMGABONP-UHFFFAOYSA-N 0 0 319.286 4.444 50 0 DIAARN Cc1cc(C(=O)N[C@@H](C)Cc2csc3ccccc23)c(C)o1 ZINC000575618670 563867917 /nfs/dbraw/zinc/86/79/17/563867917.db2.gz AUTVDGTUIVMLRO-NSHDSACASA-N 0 0 313.422 4.472 50 0 DIAARN O=C(NCc1cncc(-c2ccoc2)c1)c1cc2ccccc2o1 ZINC000575620711 563868204 /nfs/dbraw/zinc/86/82/04/563868204.db2.gz PQWAGZVEAIBEGC-UHFFFAOYSA-N 0 0 318.332 4.018 50 0 DIAARN FC(F)(F)c1c(Br)cccc1Br ZINC000071792196 563868810 /nfs/dbraw/zinc/86/88/10/563868810.db2.gz XNTHEEFOQJXUNF-UHFFFAOYSA-N 0 0 303.903 4.230 50 0 DIAARN O=C(Nc1cc(-c2ccccc2)ns1)c1cc(F)ccc1F ZINC000118617105 563870150 /nfs/dbraw/zinc/87/01/50/563870150.db2.gz FEJPSMWCVARMCH-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN c1ccc(CNc2c(-c3ccccc3)nc3ncccn32)cc1 ZINC000035562405 563872335 /nfs/dbraw/zinc/87/23/35/563872335.db2.gz AVZFBCNOIXJBTC-UHFFFAOYSA-N 0 0 300.365 4.008 50 0 DIAARN CCOC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C ZINC000006401880 563872818 /nfs/dbraw/zinc/87/28/18/563872818.db2.gz CDKQNGIWVZDPFV-KZULUSFZSA-N 0 0 300.402 4.036 50 0 DIAARN CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1ccccc1C ZINC000035622430 563872860 /nfs/dbraw/zinc/87/28/60/563872860.db2.gz MZEKFKDLBPNTKY-LJQANCHMSA-N 0 0 321.428 4.016 50 0 DIAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCOC12CCCCC2 ZINC000035671086 563874093 /nfs/dbraw/zinc/87/40/93/563874093.db2.gz RGFDSLOJTLPGSN-UHFFFAOYSA-N 0 0 313.397 4.182 50 0 DIAARN C[C@H](CCc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000013003846 563874975 /nfs/dbraw/zinc/87/49/75/563874975.db2.gz YRAYWYHAAAABEX-LLVKDONJSA-N 0 0 311.303 4.050 50 0 DIAARN O=C(Nc1cccc2c1CCCC2)c1cc(F)c(F)c(F)c1F ZINC000013003271 563875029 /nfs/dbraw/zinc/87/50/29/563875029.db2.gz DUQZHRXZPUVNDC-UHFFFAOYSA-N 0 0 323.289 4.374 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)CCc2ccco2)c(C)n1C(C)C ZINC000013010296 563875621 /nfs/dbraw/zinc/87/56/21/563875621.db2.gz LZIRKOYMBZMGKQ-CYBMUJFWSA-N 0 0 302.418 4.030 50 0 DIAARN COc1cc(C(=O)Nc2ccccc2)ccc1OCCC(C)C ZINC000013010287 563875731 /nfs/dbraw/zinc/87/57/31/563875731.db2.gz WETSNOXMBJKGNF-UHFFFAOYSA-N 0 0 313.397 4.372 50 0 DIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000075501965 563877026 /nfs/dbraw/zinc/87/70/26/563877026.db2.gz OCJGDGXCIZOKHS-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccncc1C(F)(F)F ZINC000330032373 563877042 /nfs/dbraw/zinc/87/70/42/563877042.db2.gz MITQCAPNOPGBDO-UHFFFAOYSA-N 0 0 324.277 4.369 50 0 DIAARN CCCCOc1ccccc1NC(=O)COc1ccccc1C ZINC000001777466 563878239 /nfs/dbraw/zinc/87/82/39/563878239.db2.gz WOBLKNPSTZLJAN-UHFFFAOYSA-N 0 0 313.397 4.191 50 0 DIAARN CCOc1ccccc1NC(=O)CCCOc1ccccc1C ZINC000001772479 563878390 /nfs/dbraw/zinc/87/83/90/563878390.db2.gz PQTRMMMOTOMNQY-UHFFFAOYSA-N 0 0 313.397 4.191 50 0 DIAARN O=C(/C=C/C=C/c1ccccc1)Nc1nc2c(s1)CCCC2 ZINC000001786336 563878863 /nfs/dbraw/zinc/87/88/63/563878863.db2.gz GHFRBCGXKQXAQC-GODDPXKCSA-N 0 0 310.422 4.230 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@H]1C ZINC000239352637 563879964 /nfs/dbraw/zinc/87/99/64/563879964.db2.gz ACVRCDJPGAOOKO-VNHYZAJKSA-N 0 0 317.477 4.070 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H]2c2ccncc2)o1 ZINC000240902779 563880359 /nfs/dbraw/zinc/88/03/59/563880359.db2.gz IVHMECNKSYWAPK-OLMNPRSZSA-N 0 0 324.424 4.094 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)[C@H]2CCc3ccccc32)o1 ZINC000239667438 563880379 /nfs/dbraw/zinc/88/03/79/563880379.db2.gz BQBXYKODNSRTEO-ZMYBRWDISA-N 0 0 323.436 4.482 50 0 DIAARN Cc1[nH]nc(NC(=O)Cc2ccccc2F)c1-c1cccc(C)c1 ZINC000075544457 563880880 /nfs/dbraw/zinc/88/08/80/563880880.db2.gz FZMWAZCOIVJXAT-UHFFFAOYSA-N 0 0 323.371 4.014 50 0 DIAARN CCCCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000001819800 563882080 /nfs/dbraw/zinc/88/20/80/563882080.db2.gz MMRDJSGDJYJGHK-UHFFFAOYSA-N 0 0 306.409 4.427 50 0 DIAARN CCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001887998 563882535 /nfs/dbraw/zinc/88/25/35/563882535.db2.gz BISANUGBRLZNKT-UHFFFAOYSA-N 0 0 309.369 4.409 50 0 DIAARN Oc1cccc2c1CCC2=NNc1ccccc1C(F)(F)F ZINC000252475003 563885515 /nfs/dbraw/zinc/88/55/15/563885515.db2.gz QHLNSDFAOPLDIY-UHFFFAOYSA-N 0 0 306.287 4.173 50 0 DIAARN C[C@H]1CCc2c(sc3ncnc(NCc4ccccc4)c23)C1 ZINC000001972729 563886834 /nfs/dbraw/zinc/88/68/34/563886834.db2.gz JSRVRBABKSXEMB-LBPRGKRZSA-N 0 0 309.438 4.428 50 0 DIAARN CCCC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000001986348 563886877 /nfs/dbraw/zinc/88/68/77/563886877.db2.gz MJXZZFMKSNHVHV-UHFFFAOYSA-N 0 0 317.410 4.330 50 0 DIAARN CC[C@H](Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1 ZINC000000489646 563887199 /nfs/dbraw/zinc/88/71/99/563887199.db2.gz MBMUYZNCTXYWPW-KRWDZBQOSA-N 0 0 322.360 4.142 50 0 biogenic DIAARN C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(F)cc1F ZINC000006571968 563890272 /nfs/dbraw/zinc/89/02/72/563890272.db2.gz YGSRWYGKDMJXSK-JTQLQIEISA-N 0 0 304.365 4.113 50 0 DIAARN CCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)C1CC1 ZINC000036012372 563891551 /nfs/dbraw/zinc/89/15/51/563891551.db2.gz BBZZKMWMDNTNOT-UHFFFAOYSA-N 0 0 312.413 4.107 50 0 DIAARN Cc1ccc(-c2cc(CN(C(=O)C(C)C)C(C)C)no2)c(C)c1 ZINC000036011985 563891609 /nfs/dbraw/zinc/89/16/09/563891609.db2.gz GNCVYGIZCIBIIO-UHFFFAOYSA-N 0 0 314.429 4.351 50 0 DIAARN C[C@H](NC(=O)C(C)(C)c1ccccc1)c1cccc(Cl)c1 ZINC000035982549 563891637 /nfs/dbraw/zinc/89/16/37/563891637.db2.gz QFPGGYBXXIHZBK-ZDUSSCGKSA-N 0 0 301.817 4.495 50 0 DIAARN CCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)C(C)C ZINC000036012365 563891718 /nfs/dbraw/zinc/89/17/18/563891718.db2.gz CKLIOLGUUUOQQU-UHFFFAOYSA-N 0 0 314.429 4.353 50 0 DIAARN O=C(c1ccccc1)c1cnc2ccccc2c1N1CCCC1 ZINC000036102713 563893376 /nfs/dbraw/zinc/89/33/76/563893376.db2.gz AHHSQXFUPJHONI-UHFFFAOYSA-N 0 0 302.377 4.066 50 0 DIAARN CCCSCCCNC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968401 563895320 /nfs/dbraw/zinc/89/53/20/563895320.db2.gz BGNYUHISUZPCFL-UHFFFAOYSA-N 0 0 320.458 4.214 50 0 DIAARN CC[C@@H](C)NC(=O)c1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000036346924 563895556 /nfs/dbraw/zinc/89/55/56/563895556.db2.gz JRJPKMGFGUYIOS-LLVKDONJSA-N 0 0 322.330 4.296 50 0 DIAARN O=C1C[C@@H](c2ccsc2)c2sc(N3CCCCC3)nc2N1 ZINC000036356975 563896254 /nfs/dbraw/zinc/89/62/54/563896254.db2.gz KXZXLSRPBOOWES-NSHDSACASA-N 0 0 319.455 4.319 50 0 DIAARN Cc1cccnc1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000036359402 563896272 /nfs/dbraw/zinc/89/62/72/563896272.db2.gz XYJHKTJHRFLPPC-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)N1CCOc2ccccc21 ZINC000006842520 563896350 /nfs/dbraw/zinc/89/63/50/563896350.db2.gz QMVFMJHNJFQWAB-UHFFFAOYSA-N 0 0 302.761 4.079 50 0 DIAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 ZINC000006842633 563896679 /nfs/dbraw/zinc/89/66/79/563896679.db2.gz AEYVDMKRKUMSOP-LLVKDONJSA-N 0 0 302.761 4.159 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)cc1)C[C@@H](C)O2 ZINC000006842702 563896743 /nfs/dbraw/zinc/89/67/43/563896743.db2.gz XYYVFOFLSGNDMY-GFCCVEGCSA-N 0 0 316.788 4.468 50 0 DIAARN CCc1ccccc1NC(=O)N1CCOc2ccc(Cl)cc21 ZINC000006842970 563896773 /nfs/dbraw/zinc/89/67/73/563896773.db2.gz QYWVWSPAMFYGCU-UHFFFAOYSA-N 0 0 316.788 4.333 50 0 DIAARN CCOc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000006846376 563897137 /nfs/dbraw/zinc/89/71/37/563897137.db2.gz VAJVGKREZORLMY-UHFFFAOYSA-N 0 0 311.168 4.039 50 0 DIAARN O[C@@H](SCc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002172564 563897216 /nfs/dbraw/zinc/89/72/16/563897216.db2.gz BOCIJEAEALDCIC-QMMMGPOBSA-N 0 0 306.041 4.262 50 0 DIAARN CCc1ccc(NC(=O)NCc2noc3ccc(C)cc23)cc1 ZINC000006866025 563897488 /nfs/dbraw/zinc/89/74/88/563897488.db2.gz OABXJWMYJCUXIF-UHFFFAOYSA-N 0 0 309.369 4.020 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)NCc3cccc(C)c3)cc12 ZINC000006869569 563897580 /nfs/dbraw/zinc/89/75/80/563897580.db2.gz DUXZTNZFLZTMGH-UHFFFAOYSA-N 0 0 306.409 4.034 50 0 DIAARN CCOc1ccccc1NC(=O)N1CCSc2ccccc21 ZINC000006876859 563897622 /nfs/dbraw/zinc/89/76/22/563897622.db2.gz BDXSIQXRZYEOFO-UHFFFAOYSA-N 0 0 314.410 4.230 50 0 DIAARN Cc1nnc(SCc2cccc(F)c2)c2cc3occc3n21 ZINC000006894099 563898853 /nfs/dbraw/zinc/89/88/53/563898853.db2.gz HRQBELPCYFIMPC-UHFFFAOYSA-N 0 0 313.357 4.215 50 0 DIAARN CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913078 563899284 /nfs/dbraw/zinc/89/92/84/563899284.db2.gz QJOLFAUSSOJGMK-UHFFFAOYSA-N 0 0 320.436 4.446 50 0 DIAARN Clc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137127 563899688 /nfs/dbraw/zinc/89/96/88/563899688.db2.gz LBKGUXXHXAYGRB-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN CCc1nc2cc(-c3noc(-c4ccc(C)cc4)n3)ccc2o1 ZINC000065149736 563899835 /nfs/dbraw/zinc/89/98/35/563899835.db2.gz AVBUIAWUZMIZGF-UHFFFAOYSA-N 0 0 305.337 4.416 50 0 DIAARN COc1cccc(CSc2nnc(C)n2C2CCCCC2)c1 ZINC000006939761 563899988 /nfs/dbraw/zinc/89/99/88/563899988.db2.gz YYIZARNYKFULSK-UHFFFAOYSA-N 0 0 317.458 4.393 50 0 DIAARN O=C(CCCC(=O)c1ccccc1)NC1CCCCCCC1 ZINC000006946745 563900071 /nfs/dbraw/zinc/90/00/71/563900071.db2.gz VXRZJAOYPZCNSB-UHFFFAOYSA-N 0 0 301.430 4.269 50 0 DIAARN CC(C)CC(=O)N1CCC(CCOCc2ccc(F)cc2)CC1 ZINC000065180353 563900591 /nfs/dbraw/zinc/90/05/91/563900591.db2.gz NAHFPWLQLBPTDH-UHFFFAOYSA-N 0 0 321.436 4.017 50 0 DIAARN CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 ZINC000006982095 563901003 /nfs/dbraw/zinc/90/10/03/563901003.db2.gz YJMFNWWMPNXCIT-SCLBCKFNSA-N 0 0 311.381 4.472 50 0 DIAARN CCOc1ccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000007007407 563901147 /nfs/dbraw/zinc/90/11/47/563901147.db2.gz QHIWNAMRJBCUJO-UHFFFAOYSA-N 0 0 322.408 4.113 50 0 DIAARN O=C(NCc1ccccc1F)c1cc2cn(C3CC3)cc2s1 ZINC000065285609 563902379 /nfs/dbraw/zinc/90/23/79/563902379.db2.gz BZOIPISVHZNBAD-UHFFFAOYSA-N 0 0 314.385 4.107 50 0 DIAARN Cc1ccccc1CNC(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285599 563902389 /nfs/dbraw/zinc/90/23/89/563902389.db2.gz PRLPBDFJUWQOTR-UHFFFAOYSA-N 0 0 310.422 4.276 50 0 DIAARN Cc1cc(C)n(CCNc2nc3c(cccc3C(C)C)s2)n1 ZINC000036657572 563902406 /nfs/dbraw/zinc/90/24/06/563902406.db2.gz PNJMHDVYBYVOIL-UHFFFAOYSA-N 0 0 314.458 4.345 50 0 DIAARN c1[nH]c2ccccc2c1CCNc1cc(-c2ccccc2)ncn1 ZINC000036708963 563903237 /nfs/dbraw/zinc/90/32/37/563903237.db2.gz JYKXDPWFGGRZRT-UHFFFAOYSA-N 0 0 314.392 4.280 50 0 DIAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000007218542 563904584 /nfs/dbraw/zinc/90/45/84/563904584.db2.gz CZEINCONGRNWEV-AWEZNQCLSA-N 0 0 322.191 4.247 50 0 DIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000007223310 563904624 /nfs/dbraw/zinc/90/46/24/563904624.db2.gz VUEOUDVIVPHWHM-LBPRGKRZSA-N 0 0 322.330 4.453 50 0 DIAARN CC(C)c1ccc(-c2nnc(NC(=O)C3CCCC3)s2)cc1 ZINC000007271558 563904908 /nfs/dbraw/zinc/90/49/08/563904908.db2.gz PPHWWRKWXNHZJS-UHFFFAOYSA-N 0 0 315.442 4.457 50 0 DIAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 ZINC000007235668 563904928 /nfs/dbraw/zinc/90/49/28/563904928.db2.gz HRKKAQCQOMNXCC-LBPRGKRZSA-N 0 0 313.401 4.475 50 0 DIAARN C[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007381055 563905809 /nfs/dbraw/zinc/90/58/09/563905809.db2.gz OIRVCYZCZNUSMJ-SNVBAGLBSA-N 0 0 315.244 4.243 50 0 DIAARN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CCc1cccnc1 ZINC000170596159 563907158 /nfs/dbraw/zinc/90/71/58/563907158.db2.gz ZCVQVUYLEJFLPJ-NQIIRXRSSA-N 0 0 322.452 4.090 50 0 DIAARN O=C(Nc1csc(Cl)c1)c1cccnc1NC1CCCC1 ZINC000170607692 563907755 /nfs/dbraw/zinc/90/77/55/563907755.db2.gz JIAVMHMZZSKTTI-UHFFFAOYSA-N 0 0 321.833 4.403 50 0 DIAARN CCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1C ZINC000170606990 563907832 /nfs/dbraw/zinc/90/78/32/563907832.db2.gz LZQGJERHLMQTER-UHFFFAOYSA-N 0 0 315.413 4.047 50 0 DIAARN O=C([O-])CCCCCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000170612893 563907980 /nfs/dbraw/zinc/90/79/80/563907980.db2.gz HUQLDEVVEZYMEH-UHFFFAOYSA-N 0 0 304.217 4.118 50 0 DIAARN CCn1c2ccccc2c2cc(NC(=S)NC3CC3)ccc21 ZINC000007527858 563908056 /nfs/dbraw/zinc/90/80/56/563908056.db2.gz WZGJMHDCKLZLLU-UHFFFAOYSA-N 0 0 309.438 4.263 50 0 DIAARN Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000170618303 563908310 /nfs/dbraw/zinc/90/83/10/563908310.db2.gz SNWFHJHDYOMPNQ-MRXNPFEDSA-N 0 0 320.348 4.173 50 0 DIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C(F)(F)F)n2)C1(C)C ZINC000170616309 563908331 /nfs/dbraw/zinc/90/83/31/563908331.db2.gz YQMIBTAFOBTNQP-GXFFZTMASA-N 0 0 312.335 4.277 50 0 DIAARN Cc1ccccc1CNc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000170616117 563908473 /nfs/dbraw/zinc/90/84/73/563908473.db2.gz WUOYSTBDZHHVBL-UHFFFAOYSA-N 0 0 317.392 4.254 50 0 DIAARN Nc1nc(Cl)cc(N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000170621377 563908543 /nfs/dbraw/zinc/90/85/43/563908543.db2.gz KCWXNWOPGUHLBS-CQSZACIVSA-N 0 0 323.227 4.319 50 0 DIAARN Cc1c(Cl)cccc1N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000007545506 563908550 /nfs/dbraw/zinc/90/85/50/563908550.db2.gz VHBDNYGZIOVUMP-QGZVFWFLSA-N 0 0 314.816 4.080 50 0 DIAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H](O)CC)cc1 ZINC000007547858 563908605 /nfs/dbraw/zinc/90/86/05/563908605.db2.gz FSYLTZILMORDEW-LJQANCHMSA-N 0 0 324.424 4.121 50 0 DIAARN O=C(OCc1cc(-c2cccs2)on1)c1c(F)cccc1F ZINC000007551208 563908642 /nfs/dbraw/zinc/90/86/42/563908642.db2.gz HDRLSNWARQRZTQ-UHFFFAOYSA-N 0 0 321.304 4.038 50 0 DIAARN CC[C@H](OC1CCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626798 563908726 /nfs/dbraw/zinc/90/87/26/563908726.db2.gz XXZDGZIGFCUFPB-HKUYNNGSSA-N 0 0 305.462 4.073 50 0 DIAARN CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626801 563908851 /nfs/dbraw/zinc/90/88/51/563908851.db2.gz XXZDGZIGFCUFPB-IEBWSBKVSA-N 0 0 305.462 4.073 50 0 DIAARN COC(=O)c1ccc([C@@H](C)SC2=Nc3ccccc3C2)o1 ZINC000170631392 563908953 /nfs/dbraw/zinc/90/89/53/563908953.db2.gz VQJNXULBRFUIET-SNVBAGLBSA-N 0 0 301.367 4.147 50 0 DIAARN CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)Nc1ncccc1C ZINC000013326391 563909423 /nfs/dbraw/zinc/90/94/23/563909423.db2.gz YKAWBDLAXRWGJY-CQSZACIVSA-N 0 0 318.804 4.148 50 0 DIAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1cccnc1 ZINC000013744317 563910059 /nfs/dbraw/zinc/91/00/59/563910059.db2.gz WLRZRILKZISFCX-VIFPVBQESA-N 0 0 310.184 4.271 50 0 DIAARN CC(C)c1ncc(C(=O)N(c2ccccn2)C2CCCC2)s1 ZINC000152074579 563910070 /nfs/dbraw/zinc/91/00/70/563910070.db2.gz MBKVGDWDKYIGFX-UHFFFAOYSA-N 0 0 315.442 4.251 50 0 DIAARN O=C(NCC1CCCCC1)Nc1ccccc1Br ZINC000013746560 563910087 /nfs/dbraw/zinc/91/00/87/563910087.db2.gz KHLJFBIXRMIYRM-UHFFFAOYSA-N 0 0 311.223 4.151 50 0 DIAARN CCN(c1ccc(NC(=O)c2ccc[nH]c2=S)cc1)C(C)C ZINC000014075727 563910320 /nfs/dbraw/zinc/91/03/20/563910320.db2.gz FWHFZUZSZVLTKN-UHFFFAOYSA-N 0 0 315.442 4.231 50 0 DIAARN COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1 ZINC000014427330 563910678 /nfs/dbraw/zinc/91/06/78/563910678.db2.gz NUYFYVROOPQKSL-UHFFFAOYSA-N 0 0 309.365 4.239 50 0 DIAARN CSc1cc(C(=O)Nc2cc(C)on2)c(Cl)cc1Cl ZINC000089606762 563910742 /nfs/dbraw/zinc/91/07/42/563910742.db2.gz XSSWVBGPDBWFCZ-UHFFFAOYSA-N 0 0 317.197 4.264 50 0 DIAARN Fc1ccccc1NC(=S)NCCc1ccc(Cl)cc1 ZINC000007572152 563911074 /nfs/dbraw/zinc/91/10/74/563911074.db2.gz KBYMTDYHEORINZ-UHFFFAOYSA-N 0 0 308.809 4.008 50 0 DIAARN C[C@@H](N[C@@H](C)c1cc2cc(Cl)ccc2o1)c1cnccn1 ZINC000090034786 563912508 /nfs/dbraw/zinc/91/25/08/563912508.db2.gz ICAQPQIFCILBNM-MNOVXSKESA-N 0 0 301.777 4.288 50 0 DIAARN Cc1ccccc1OCCNC(=O)c1c(Cl)cccc1Cl ZINC000076094804 563912544 /nfs/dbraw/zinc/91/25/44/563912544.db2.gz ZXQOWEJYDQTCAA-UHFFFAOYSA-N 0 0 324.207 4.111 50 0 DIAARN COc1ccc([C@@H]2CC(=O)c3cc(Cl)ccc3O2)cc1OC ZINC000000057866 563912713 /nfs/dbraw/zinc/91/27/13/563912713.db2.gz VWGNKHPAHTYIRK-INIZCTEOSA-N 0 0 318.756 4.064 50 0 biogenic,in-vitro DIAARN COc1c(Cl)cc(Cl)cc1C(=O)NC1CCCCC1 ZINC000000186801 563912804 /nfs/dbraw/zinc/91/28/04/563912804.db2.gz VZSLHNCHAQPMPD-UHFFFAOYSA-N 0 0 302.201 4.065 50 0 DIAARN COCCn1c2c(c(=S)nc1-c1cccc(C)c1)CCCC2 ZINC000002874596 563913009 /nfs/dbraw/zinc/91/30/09/563913009.db2.gz PCSJNPGCVMTZOZ-UHFFFAOYSA-N 0 0 314.454 4.113 50 0 DIAARN O=C(NCC1CC1)c1sc2cc(Cl)ccc2c1Cl ZINC000003017569 563913109 /nfs/dbraw/zinc/91/31/09/563913109.db2.gz RCUKWLDKIDKYOO-UHFFFAOYSA-N 0 0 300.210 4.348 50 0 DIAARN COc1ccc2c(CNc3ccc(C)cc3C)cc(=O)oc2c1 ZINC000002125110 563914854 /nfs/dbraw/zinc/91/48/54/563914854.db2.gz ARPJSSAQFGBMGD-UHFFFAOYSA-N 0 0 309.365 4.031 50 0 biogenic DIAARN CCCCc1cc2c(cc1OC)occ(-c1ccccn1)c2=O ZINC000002132977 563915541 /nfs/dbraw/zinc/91/55/41/563915541.db2.gz FMCAVURUMVRCLY-UHFFFAOYSA-N 0 0 309.365 4.206 50 0 biogenic DIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)c2ncsc21 ZINC000007599072 563915690 /nfs/dbraw/zinc/91/56/90/563915690.db2.gz BNGQTKBVMYJREY-UHFFFAOYSA-N 0 0 320.776 4.270 50 0 DIAARN COc1ccc(Cl)cc1NCCC(=O)c1ccc(C)cc1 ZINC000002521082 563915769 /nfs/dbraw/zinc/91/57/69/563915769.db2.gz GQGBOYDATFCCAG-UHFFFAOYSA-N 0 0 303.789 4.342 50 0 DIAARN CSc1cccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1 ZINC000055548311 563916066 /nfs/dbraw/zinc/91/60/66/563916066.db2.gz GMCBXHCGNLMAJR-ZHACJKMWSA-N 0 0 319.451 4.130 50 0 DIAARN Fc1cc(NC2CCN(c3ccccn3)CC2)ccc1C1CC1 ZINC000252495377 563916197 /nfs/dbraw/zinc/91/61/97/563916197.db2.gz OPEAIOFXIUTFLK-UHFFFAOYSA-N 0 0 311.404 4.179 50 0 DIAARN CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)no1 ZINC000252493109 563916215 /nfs/dbraw/zinc/91/62/15/563916215.db2.gz MZJFTWXPPSHRAJ-HOCLYGCPSA-N 0 0 312.413 4.206 50 0 DIAARN Fc1ccc(Cl)c(OCc2csc([C@@H]3CCCO3)n2)c1 ZINC000193543594 563916248 /nfs/dbraw/zinc/91/62/48/563916248.db2.gz LWEYRTZNRDWMLG-LBPRGKRZSA-N 0 0 313.781 4.366 50 0 DIAARN O=C(c1ccco1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208046406 563916261 /nfs/dbraw/zinc/91/62/61/563916261.db2.gz YEFWRYPMNNOUCP-HNNXBMFYSA-N 0 0 321.829 4.253 50 0 DIAARN Cc1ccccc1C(=O)NCCc1ccc(-c2ccoc2)s1 ZINC000390828429 563916519 /nfs/dbraw/zinc/91/65/19/563916519.db2.gz AZJRSJUSBDWAEH-UHFFFAOYSA-N 0 0 311.406 4.289 50 0 DIAARN CCc1ccccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 ZINC000002160538 563916745 /nfs/dbraw/zinc/91/67/45/563916745.db2.gz SOIQZTKYBWRCKA-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Nc1ccc2[nH]c(C)cc2c1 ZINC000170650941 563916842 /nfs/dbraw/zinc/91/68/42/563916842.db2.gz DGNLMKKVTUNUOH-WMLDXEAASA-N 0 0 313.445 4.068 50 0 DIAARN CCCn1nc(C)c(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)c1C ZINC000252549309 563917111 /nfs/dbraw/zinc/91/71/11/563917111.db2.gz RDOANPOTAAKDIS-DLBZAZTESA-N 0 0 317.477 4.095 50 0 DIAARN O=C(CCCc1nc2ccccc2s1)NC1CCCCC1 ZINC000007609056 563917202 /nfs/dbraw/zinc/91/72/02/563917202.db2.gz IBAUPFRFILGZLJ-UHFFFAOYSA-N 0 0 302.443 4.068 50 0 DIAARN S=C(NCCc1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000007621965 563917566 /nfs/dbraw/zinc/91/75/66/563917566.db2.gz ZBHMLFRDHAOIDF-OAHLLOKOSA-N 0 0 316.495 4.002 50 0 DIAARN COc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1 ZINC000007641243 563917703 /nfs/dbraw/zinc/91/77/03/563917703.db2.gz RQFPDBYOUMWXDR-CYBMUJFWSA-N 0 0 314.410 4.114 50 0 DIAARN O=C(Nc1nccs1)c1cc2c(s1)-c1ccccc1CC2 ZINC000007654632 563917760 /nfs/dbraw/zinc/91/77/60/563917760.db2.gz GKSFTHXJXZLCGZ-UHFFFAOYSA-N 0 0 312.419 4.223 50 0 DIAARN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000007644690 563917775 /nfs/dbraw/zinc/91/77/75/563917775.db2.gz PPMBJLJLCKITNH-YFTXEMMHSA-N 0 0 315.800 4.239 50 0 DIAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CC=CCC1 ZINC000007688655 563917844 /nfs/dbraw/zinc/91/78/44/563917844.db2.gz SDNGGUMZEVBAGO-SNVBAGLBSA-N 0 0 320.364 4.383 50 0 DIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1F ZINC000007684204 563917948 /nfs/dbraw/zinc/91/79/48/563917948.db2.gz NEGVQUURASNROZ-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN Cc1cccc2sc(NC(=O)c3cc4c(s3)CCC4)nc21 ZINC000007725074 563918383 /nfs/dbraw/zinc/91/83/83/563918383.db2.gz JKCYGMNBYNHMSF-UHFFFAOYSA-N 0 0 314.435 4.407 50 0 DIAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1 ZINC000007738480 563918553 /nfs/dbraw/zinc/91/85/53/563918553.db2.gz NIZFJKGRJVPNPB-UHFFFAOYSA-N 0 0 321.311 4.214 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccccn3)n2)cc1C ZINC000007756635 563918759 /nfs/dbraw/zinc/91/87/59/563918759.db2.gz PIDSVFKSVJTOHJ-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(F)ccc2F)c1C ZINC000007754663 563918791 /nfs/dbraw/zinc/91/87/91/563918791.db2.gz AEFGYWVIMJWUPO-UHFFFAOYSA-N 0 0 323.364 4.087 50 0 DIAARN COc1nc2ccccc2cc1-c1noc(-c2cccs2)n1 ZINC000002224169 563919961 /nfs/dbraw/zinc/91/99/61/563919961.db2.gz QHVBCLVLPBAANN-UHFFFAOYSA-N 0 0 309.350 4.022 50 0 DIAARN C[C@@H](NC(=O)CCSc1ccc(F)c(F)c1)c1ccccc1 ZINC000007909486 563920402 /nfs/dbraw/zinc/92/04/02/563920402.db2.gz FNLACVGNPRSRJK-GFCCVEGCSA-N 0 0 321.392 4.324 50 0 DIAARN Fc1cccc(F)c1C1=NCC(=S)Nc2ccc(Cl)cc21 ZINC000104101392 563921107 /nfs/dbraw/zinc/92/11/07/563921107.db2.gz IYDNPWDCXBEKGG-UHFFFAOYSA-N 0 0 322.767 4.209 50 0 DIAARN O=C(NCCc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000007925218 563921209 /nfs/dbraw/zinc/92/12/09/563921209.db2.gz QLRRIPVLTBQFKJ-UHFFFAOYSA-N 0 0 312.171 4.105 50 0 DIAARN CCOC(=O)/C=C/c1cc(SCc2ccccc2)ccc1N ZINC000095836381 563923361 /nfs/dbraw/zinc/92/33/61/563923361.db2.gz XHNDRKFFPZJQQJ-DHZHZOJOSA-N 0 0 313.422 4.137 50 0 DIAARN CN1CCCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000019329658 563923717 /nfs/dbraw/zinc/92/37/17/563923717.db2.gz RBSDTAAHXCEHHB-LJQANCHMSA-N 0 0 314.860 4.415 50 0 DIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000017032068 563923731 /nfs/dbraw/zinc/92/37/31/563923731.db2.gz GJLVHYUEFZNZMG-MGPQQGTHSA-N 0 0 309.837 4.205 50 0 DIAARN COC(=O)c1cc(-c2ccc(Br)cc2)c(F)s1 ZINC000165866667 563924296 /nfs/dbraw/zinc/92/42/96/563924296.db2.gz VYFBSYHILRKDMP-UHFFFAOYSA-N 0 0 315.163 4.103 50 0 DIAARN COC(=O)c1nn(C(C)C)c2cccc(-c3ccc(F)cc3)c12 ZINC000140765765 563924298 /nfs/dbraw/zinc/92/42/98/563924298.db2.gz XJSIFSXKZOVBSH-UHFFFAOYSA-N 0 0 312.344 4.210 50 0 DIAARN CCCC(C)(C)N(Cc1cccs1)C(=O)C1CCOCC1 ZINC000253392970 563925016 /nfs/dbraw/zinc/92/50/16/563925016.db2.gz LOQIIXRYSVEZGW-UHFFFAOYSA-N 0 0 309.475 4.082 50 0 DIAARN CC[C@@H]1C[C@@H](CC(=O)Nc2ncccc2-c2ccccc2)CCO1 ZINC000253426233 563925151 /nfs/dbraw/zinc/92/51/51/563925151.db2.gz MAXJUDFQHNHLQU-DOTOQJQBSA-N 0 0 324.424 4.282 50 0 DIAARN CC(=O)Nc1ccccc1-c1noc(-c2cc(C)sc2C)n1 ZINC000253418920 563925171 /nfs/dbraw/zinc/92/51/71/563925171.db2.gz DZJGKCPWYBGCAF-UHFFFAOYSA-N 0 0 313.382 4.040 50 0 DIAARN CC(C)(C)c1noc(COc2ccc(C(F)(F)F)cc2F)n1 ZINC000253419482 563925183 /nfs/dbraw/zinc/92/51/83/563925183.db2.gz NSUVZCTVESFQSZ-UHFFFAOYSA-N 0 0 318.270 4.104 50 0 DIAARN CC[C@@H](NC(=O)N(C)Cc1ccoc1)c1ccc(C)c(C)c1 ZINC000584892140 563925597 /nfs/dbraw/zinc/92/55/97/563925597.db2.gz DUTUHEPSNASXFY-QGZVFWFLSA-N 0 0 300.402 4.189 50 0 DIAARN CCCCCCc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000002304980 563925868 /nfs/dbraw/zinc/92/58/68/563925868.db2.gz QZERZBDUYVGFBW-UHFFFAOYSA-N 0 0 307.394 4.052 50 0 DIAARN Cc1cc(C)c(C(=O)Nc2cccc3c2ccn3C(C)C)c(=O)[nH]1 ZINC000252490346 563927349 /nfs/dbraw/zinc/92/73/49/563927349.db2.gz KQERHKPLAYQGJV-UHFFFAOYSA-N 0 0 323.396 4.192 50 0 DIAARN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1F ZINC000027878038 563928584 /nfs/dbraw/zinc/92/85/84/563928584.db2.gz QCYHHSPGZFKKMR-JQWIXIFHSA-N 0 0 323.717 4.330 50 0 DIAARN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1F ZINC000027878051 563928668 /nfs/dbraw/zinc/92/86/68/563928668.db2.gz QCYHHSPGZFKKMR-PWSUYJOCSA-N 0 0 323.717 4.330 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000007941046 563928739 /nfs/dbraw/zinc/92/87/39/563928739.db2.gz ZGFZZYQUIDLNJD-UHFFFAOYSA-N 0 0 300.745 4.082 50 0 DIAARN Cc1nc2cc(NC(=O)N3CCC[C@H]3c3ccco3)ccc2o1 ZINC000158139802 563928930 /nfs/dbraw/zinc/92/89/30/563928930.db2.gz GSDQVFTUFFDHOK-AWEZNQCLSA-N 0 0 311.341 4.098 50 0 DIAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012661366 563928983 /nfs/dbraw/zinc/92/89/83/563928983.db2.gz NQUQIAYCNLKMTR-MBLGUKAXSA-N 0 0 316.441 4.265 50 0 biogenic DIAARN Brc1cccc(CN2C=C[C@@H](c3ccccc3)O2)c1 ZINC000012959697 563929115 /nfs/dbraw/zinc/92/91/15/563929115.db2.gz YTKUIVXCANZHMN-INIZCTEOSA-N 0 0 316.198 4.451 50 0 DIAARN CN(C(=O)C1(Sc2ccccc2)CCCC1)c1nccs1 ZINC000078611098 563929697 /nfs/dbraw/zinc/92/96/97/563929697.db2.gz KJDVEXXVGOTXDG-UHFFFAOYSA-N 0 0 318.467 4.211 50 0 DIAARN CC(C)N(C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C ZINC000078612623 563929766 /nfs/dbraw/zinc/92/97/66/563929766.db2.gz WYEZFUOAOCMMOT-GJZGRUSLSA-N 0 0 313.363 4.454 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000007957223 563929768 /nfs/dbraw/zinc/92/97/68/563929768.db2.gz KYBOSKQJQLPZRO-WFASDCNBSA-N 0 0 301.361 4.394 50 0 DIAARN Cc1cccc([C@@H]2CCCN2Cc2cnn(C)c2C(F)(F)F)c1 ZINC000079092930 563930311 /nfs/dbraw/zinc/93/03/11/563930311.db2.gz ZZCAEQQJBATUFJ-HNNXBMFYSA-N 0 0 323.362 4.084 50 0 DIAARN O=C(Nc1ccc2[nH]c(C3CC3)nc2c1)c1ccccc1Cl ZINC000079498155 563930544 /nfs/dbraw/zinc/93/05/44/563930544.db2.gz JLIMZHMPFCGICM-UHFFFAOYSA-N 0 0 311.772 4.346 50 0 DIAARN Cc1csc(N(C(=O)Cc2ccc(C)nc2)c2ccccc2)n1 ZINC000079652883 563930638 /nfs/dbraw/zinc/93/06/38/563930638.db2.gz LWGLBLJPRRMSRQ-UHFFFAOYSA-N 0 0 323.421 4.062 50 0 DIAARN CCCc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1 ZINC000390828886 563930682 /nfs/dbraw/zinc/93/06/82/563930682.db2.gz CCAIFFIUKBSDSI-UHFFFAOYSA-N 0 0 320.392 4.224 50 0 DIAARN CCc1nnc2c3ccccc3nc(Nc3c(C)cccc3C)n12 ZINC000020178090 563930990 /nfs/dbraw/zinc/93/09/90/563930990.db2.gz MDQOGSUHXZIFAK-UHFFFAOYSA-N 0 0 317.396 4.200 50 0 DIAARN Cc1ccc(OC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1C ZINC000095350020 563931104 /nfs/dbraw/zinc/93/11/04/563931104.db2.gz SNTFNOGSIFJDEK-KSSFIOAISA-N 0 0 323.392 4.117 50 0 DIAARN Cc1cc([C@@H](C)NC(=O)c2ccnc3ccccc32)c(C)s1 ZINC000095349607 563931200 /nfs/dbraw/zinc/93/12/00/563931200.db2.gz KFUJUXLQFMICJO-GFCCVEGCSA-N 0 0 310.422 4.404 50 0 DIAARN Cc1ccc2c(ccn2CC(=O)Nc2cccc3[nH]ccc32)c1 ZINC000095477042 563931521 /nfs/dbraw/zinc/93/15/21/563931521.db2.gz PDJOCVASBYEYED-UHFFFAOYSA-N 0 0 303.365 4.070 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccccn2)o1 ZINC000055522507 563931775 /nfs/dbraw/zinc/93/17/75/563931775.db2.gz AIFPTSBRZJKFMB-QGPMSJSTSA-N 0 0 324.424 4.094 50 0 DIAARN Cc1ccc(C)c(NC(=O)N2CCn3cccc3[C@H]2C(C)C)c1 ZINC000021051581 563931917 /nfs/dbraw/zinc/93/19/17/563931917.db2.gz VLFVBXBFBLXWQB-GOSISDBHSA-N 0 0 311.429 4.350 50 0 DIAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1ccccc1CC ZINC000021051228 563931925 /nfs/dbraw/zinc/93/19/25/563931925.db2.gz LMOWYIOUBSCPFZ-GOSISDBHSA-N 0 0 311.429 4.439 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCc2sccc2C1 ZINC000095947109 563932242 /nfs/dbraw/zinc/93/22/42/563932242.db2.gz CXVJIZCYDUPJAF-CYBMUJFWSA-N 0 0 324.449 4.167 50 0 DIAARN CC(C)N(C(=O)CCc1cc(Br)cs1)C(C)C ZINC000095956694 563932364 /nfs/dbraw/zinc/93/23/64/563932364.db2.gz GGUSENIRDREZFQ-UHFFFAOYSA-N 0 0 318.280 4.089 50 0 DIAARN COC[C@H](N[C@H]1C[C@H](C)Sc2ccccc21)c1ccco1 ZINC000095968846 563933127 /nfs/dbraw/zinc/93/31/27/563933127.db2.gz SYQUNUCFCQBUAN-QEJZJMRPSA-N 0 0 303.427 4.182 50 0 DIAARN Cc1cccc(C(=O)OCc2nc3ccccc3o2)c1Cl ZINC000095974361 563933609 /nfs/dbraw/zinc/93/36/09/563933609.db2.gz PWFXBEARFWVSMI-UHFFFAOYSA-N 0 0 301.729 4.147 50 0 DIAARN CC[C@@H](c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000095977324 563933704 /nfs/dbraw/zinc/93/37/04/563933704.db2.gz ZBDNWQRPKLKPTK-KRWDZBQOSA-N 0 0 307.397 4.320 50 0 DIAARN Fc1ccc([C@H](NC2CCCCCCC2)c2ncon2)cc1F ZINC000095988503 563934185 /nfs/dbraw/zinc/93/41/85/563934185.db2.gz TUZAUBAKZAVGGS-INIZCTEOSA-N 0 0 321.371 4.140 50 0 DIAARN ClC1=C(Cl)CN(c2ncnc3c4ccccc4oc32)CC1 ZINC000095997007 563934444 /nfs/dbraw/zinc/93/44/44/563934444.db2.gz RIRXMNBJSHVBJH-UHFFFAOYSA-N 0 0 320.179 4.275 50 0 DIAARN CC(C)n1cc([C@@H](C)N[C@@H](CCc2ccccc2)C(F)F)cn1 ZINC000095996324 563934515 /nfs/dbraw/zinc/93/45/15/563934515.db2.gz TZQDLFOKSJLRDU-PBHICJAKSA-N 0 0 321.415 4.381 50 0 DIAARN CCc1ccc(CC(=O)OCc2ncc(C(C)C)s2)cc1 ZINC000096011143 563934912 /nfs/dbraw/zinc/93/49/12/563934912.db2.gz WDAFHRZQLPUWAG-UHFFFAOYSA-N 0 0 303.427 4.115 50 0 DIAARN Cc1cccc(C)c1[N-]C(=S)OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000096027793 563935051 /nfs/dbraw/zinc/93/50/51/563935051.db2.gz LOZHHARHRPPQGG-IYBDPMFKSA-N 0 0 320.502 4.280 50 0 DIAARN COc1cc2c(cc1OC)C(Cc1ccc(C(C)C)cc1)=NCC2 ZINC000096028120 563935255 /nfs/dbraw/zinc/93/52/55/563935255.db2.gz MRUXNVYTIVMDCD-UHFFFAOYSA-N 0 0 323.436 4.415 50 0 DIAARN CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1C ZINC000096105186 563935413 /nfs/dbraw/zinc/93/54/13/563935413.db2.gz CYYXSDPTWCZOLP-MRXNPFEDSA-N 0 0 318.804 4.158 50 0 DIAARN CC[C@@](CNC(=O)Nc1ccccc1C)(OC)c1ccccc1 ZINC000096123818 563935631 /nfs/dbraw/zinc/93/56/31/563935631.db2.gz YZBCWKKQIFAOOR-IBGZPJMESA-N 0 0 312.413 4.068 50 0 DIAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1 ZINC000096281962 563935951 /nfs/dbraw/zinc/93/59/51/563935951.db2.gz VXYIGEGYILVKRB-UHFFFAOYSA-N 0 0 310.332 4.168 50 0 DIAARN C[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276199 563936005 /nfs/dbraw/zinc/93/60/05/563936005.db2.gz HHGGPALGHPQUSY-SNVBAGLBSA-N 0 0 321.808 4.003 50 0 DIAARN Cc1cnc(NC(=O)c2nc(Cl)sc2CC(C)C)s1 ZINC000096223293 563936054 /nfs/dbraw/zinc/93/60/54/563936054.db2.gz GUSGPDPLSRBPPV-UHFFFAOYSA-N 0 0 315.851 4.012 50 0 DIAARN Cc1nc(CSc2n[nH]c(C=Cc3ccccc3)n2)cs1 ZINC000096286586 563936232 /nfs/dbraw/zinc/93/62/32/563936232.db2.gz SFUMEDBCLQAMRI-FPLPWBNLSA-N 0 0 314.439 4.032 50 0 DIAARN O=C1Nc2ccccc2/C1=C\C1=Cc2cc(Cl)ccc2OC1 ZINC000096291366 563936236 /nfs/dbraw/zinc/93/62/36/563936236.db2.gz XACOJIYIMHZKKX-OVCLIPMQSA-N 0 0 309.752 4.152 50 0 DIAARN CC[C@H](C)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000007969379 563936301 /nfs/dbraw/zinc/93/63/01/563936301.db2.gz YITIZNZCPDTEMD-KXBFYZLASA-N 0 0 311.425 4.141 50 0 DIAARN O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1C[C@@H]1c1cccnc1 ZINC000096410517 563936860 /nfs/dbraw/zinc/93/68/60/563936860.db2.gz SEJVVYVOLYCSMA-MOPGFXCFSA-N 0 0 321.424 4.178 50 0 DIAARN Cc1ccc(N[C@H](C)c2ccc(OC3CCOCC3)cc2)cn1 ZINC000097038103 563937555 /nfs/dbraw/zinc/93/75/55/563937555.db2.gz MVCDOPBDIJJKNB-OAHLLOKOSA-N 0 0 312.413 4.121 50 0 DIAARN CC[C@@H](C)C(=O)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000028218983 563939009 /nfs/dbraw/zinc/93/90/09/563939009.db2.gz FALAHDXTTKYZQP-CQSZACIVSA-N 0 0 307.397 4.069 50 0 DIAARN O=C(Nc1cnn(Cc2ccccc2Cl)c1)C1CCCCC1 ZINC000028230460 563939090 /nfs/dbraw/zinc/93/90/90/563939090.db2.gz XPYIVEFAENQHAA-UHFFFAOYSA-N 0 0 317.820 4.104 50 0 DIAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000055778497 563939230 /nfs/dbraw/zinc/93/92/30/563939230.db2.gz QNHLEJIYPLKZGU-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN Cc1ccccc1CNc1ccc(C(=O)NC2CC2)c(Cl)c1 ZINC000055872990 563939386 /nfs/dbraw/zinc/93/93/86/563939386.db2.gz RXWYRERILNBHFI-UHFFFAOYSA-N 0 0 314.816 4.153 50 0 DIAARN CN(c1ccccc1)c1ccccc1NCc1nc(C2CC2)no1 ZINC000055866443 563939437 /nfs/dbraw/zinc/93/94/37/563939437.db2.gz NBGTYNKKLYUECK-UHFFFAOYSA-N 0 0 320.396 4.327 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000002619204 563939500 /nfs/dbraw/zinc/93/95/00/563939500.db2.gz YOILKWMNIOVQHJ-UHFFFAOYSA-N 0 0 309.287 4.454 50 0 DIAARN CC(=O)Nc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000002632916 563939696 /nfs/dbraw/zinc/93/96/96/563939696.db2.gz FVZLUISQDZDWBZ-UHFFFAOYSA-N 0 0 304.349 4.051 50 0 DIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2ncsc2c1 ZINC000002631786 563939805 /nfs/dbraw/zinc/93/98/05/563939805.db2.gz YKDGQIGVPLWYPD-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 ZINC000002664967 563940252 /nfs/dbraw/zinc/94/02/52/563940252.db2.gz RZJUZYWEVXOWOG-UHFFFAOYSA-N 0 0 302.736 4.142 50 0 DIAARN COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1Cl ZINC000002653850 563940295 /nfs/dbraw/zinc/94/02/95/563940295.db2.gz OTOVITBFBDWVBK-LBPRGKRZSA-N 0 0 303.789 4.481 50 0 DIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(C)cc1 ZINC000002721113 563940461 /nfs/dbraw/zinc/94/04/61/563940461.db2.gz RGPYPLSQZLDJJI-UHFFFAOYSA-N 0 0 324.449 4.307 50 0 DIAARN O=C1c2ccccc2N[C@H](c2ccco2)N1c1ccc(F)cc1 ZINC000002745297 563940625 /nfs/dbraw/zinc/94/06/25/563940625.db2.gz LXRXJADOPPOVEO-KRWDZBQOSA-N 0 0 308.312 4.190 50 0 DIAARN O=C1CS[C@H](c2ccc(OC(F)F)cc2)N1c1ccccc1 ZINC000002949671 563941248 /nfs/dbraw/zinc/94/12/48/563941248.db2.gz DLHDBYAVTOQAQC-OAHLLOKOSA-N 0 0 321.348 4.067 50 0 DIAARN Cc1cc(Nc2nccc(C(F)(F)F)n2)ccc1N1CCCC1 ZINC000029525661 563941327 /nfs/dbraw/zinc/94/13/27/563941327.db2.gz WKEMCHKTUWREST-UHFFFAOYSA-N 0 0 322.334 4.148 50 0 DIAARN COC(=O)c1cccc(CSc2nc3ccccc3nc2C)c1 ZINC000029282743 563941341 /nfs/dbraw/zinc/94/13/41/563941341.db2.gz WMYGTHDPXZBXKV-UHFFFAOYSA-N 0 0 324.405 4.017 50 0 DIAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccco1 ZINC000002961452 563941504 /nfs/dbraw/zinc/94/15/04/563941504.db2.gz YTYJMRRWOZWRGD-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN CCN1c2ccc(C)cc2C=CC1=C1SC(=S)NC1=O ZINC000057452407 563941643 /nfs/dbraw/zinc/94/16/43/563941643.db2.gz UQVALSXBSNEWNM-SEYXRHQNSA-N 0 0 302.424 4.048 50 0 DIAARN c1ccc(COn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000003052805 563941810 /nfs/dbraw/zinc/94/18/10/563941810.db2.gz PUUWICDPKVXZAQ-UHFFFAOYSA-N 0 0 300.361 4.332 50 0 DIAARN Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)cc1 ZINC000003063780 563941925 /nfs/dbraw/zinc/94/19/25/563941925.db2.gz XQTSHTKBFWQZSN-UHFFFAOYSA-N 0 0 315.163 4.251 50 0 DIAARN Cc1nc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c(C)s1 ZINC000230185000 563941971 /nfs/dbraw/zinc/94/19/71/563941971.db2.gz IFDZAFZWQJJIGA-HSMVNMDESA-N 0 0 314.454 4.167 50 0 DIAARN O=C1N[C@H](c2cccc(Oc3ccccc3)c2)Oc2ccccc21 ZINC000003190163 563942714 /nfs/dbraw/zinc/94/27/14/563942714.db2.gz UIDSZOPMTCYTPP-FQEVSTJZSA-N 0 0 317.344 4.300 50 0 DIAARN O=c1c2ccccc2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000003211807 563942795 /nfs/dbraw/zinc/94/27/95/563942795.db2.gz ZILJZYAXXDAWRP-UHFFFAOYSA-N 0 0 313.360 4.129 50 0 DIAARN S=C(NCc1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000003231695 563942922 /nfs/dbraw/zinc/94/29/22/563942922.db2.gz WNWUONQKQFUUPO-UHFFFAOYSA-N 0 0 317.285 4.290 50 0 DIAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1 ZINC000003217752 563942948 /nfs/dbraw/zinc/94/29/48/563942948.db2.gz MXMVILAVYUVPKY-LBPRGKRZSA-N 0 0 317.841 4.410 50 0 DIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2s1 ZINC000003233244 563942950 /nfs/dbraw/zinc/94/29/50/563942950.db2.gz QHGRAOZSRLWGFT-VXGBXAGGSA-N 0 0 320.483 4.178 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1Cl ZINC000003218210 563942958 /nfs/dbraw/zinc/94/29/58/563942958.db2.gz XADFQTPLLBDSBM-GFCCVEGCSA-N 0 0 317.841 4.410 50 0 DIAARN O=C(CSc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000003238917 563943189 /nfs/dbraw/zinc/94/31/89/563943189.db2.gz IWSXBUOVDXTKTR-UHFFFAOYSA-N 0 0 317.841 4.017 50 0 DIAARN CCSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000003253666 563943368 /nfs/dbraw/zinc/94/33/68/563943368.db2.gz JXOSQXDROYPSKT-UHFFFAOYSA-N 0 0 311.410 4.055 50 0 DIAARN Cc1ccc(CNc2nc(C)nc3sc4c(c32)CCC4)cc1 ZINC000003250964 563943377 /nfs/dbraw/zinc/94/33/77/563943377.db2.gz JVIJQIPKGUVYES-UHFFFAOYSA-N 0 0 309.438 4.409 50 0 DIAARN CCc1ccccc1OCC(=O)OCc1ccc(Cl)cc1 ZINC000003262084 563943378 /nfs/dbraw/zinc/94/33/78/563943378.db2.gz XVJZDKFZNWFENH-UHFFFAOYSA-N 0 0 304.773 4.025 50 0 DIAARN O=C(OCc1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000003275317 563943560 /nfs/dbraw/zinc/94/35/60/563943560.db2.gz ZVIGYXFYZLPZFE-UHFFFAOYSA-N 0 0 321.760 4.446 50 0 DIAARN O=C(C1CCCC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000003363715 563943738 /nfs/dbraw/zinc/94/37/38/563943738.db2.gz RXNQGXGGBTUNCO-AWEZNQCLSA-N 0 0 300.427 4.150 50 0 DIAARN c1sc(NCCc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000003354802 563943762 /nfs/dbraw/zinc/94/37/62/563943762.db2.gz OKHXHULWTIRTML-UHFFFAOYSA-N 0 0 324.405 4.193 50 0 DIAARN C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCCC1 ZINC000003386831 563943919 /nfs/dbraw/zinc/94/39/19/563943919.db2.gz FOKVHIPBPFAQAR-MRXNPFEDSA-N 0 0 324.424 4.292 50 0 DIAARN C[C@H](NC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000030983093 563944101 /nfs/dbraw/zinc/94/41/01/563944101.db2.gz PQIUPQBSZYCGRD-JTQLQIEISA-N 0 0 300.324 4.008 50 0 DIAARN Cc1nccc(-c2cccc(NC(=O)CCc3ccsc3)c2)n1 ZINC000031121691 563944217 /nfs/dbraw/zinc/94/42/17/563944217.db2.gz QNTDJNKLOJKRKM-UHFFFAOYSA-N 0 0 323.421 4.085 50 0 DIAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1OC ZINC000031095017 563944222 /nfs/dbraw/zinc/94/42/22/563944222.db2.gz RPDVGQGUYFOBOF-CQSZACIVSA-N 0 0 316.426 4.298 50 0 DIAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OC)cc1 ZINC000031094990 563944230 /nfs/dbraw/zinc/94/42/30/563944230.db2.gz XNTBFSVAZFTFRS-OAHLLOKOSA-N 0 0 316.426 4.298 50 0 DIAARN CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000670449489 563944292 /nfs/dbraw/zinc/94/42/92/563944292.db2.gz SMTMNRYAUJGRSJ-PMOLBWCYSA-N 0 0 321.420 4.136 50 0 DIAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031389397 563944293 /nfs/dbraw/zinc/94/42/93/563944293.db2.gz QAEDZYHXDOXTTD-LBPRGKRZSA-N 0 0 314.435 4.335 50 0 DIAARN Cc1ccc2c(CC(=O)Nc3ccc4c(c3)CCO4)coc2c1C ZINC000031342640 563944360 /nfs/dbraw/zinc/94/43/60/563944360.db2.gz XLBCSGQRWQKJKG-UHFFFAOYSA-N 0 0 321.376 4.166 50 0 DIAARN O=C(NCCCSc1ccccc1)c1cc2ccccc2[nH]1 ZINC000031550616 563944559 /nfs/dbraw/zinc/94/45/59/563944559.db2.gz UWXYYJXYIDGLLH-UHFFFAOYSA-N 0 0 310.422 4.080 50 0 DIAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccco3)NC(=O)CCN21 ZINC000004000191 563944812 /nfs/dbraw/zinc/94/48/12/563944812.db2.gz TTXWBUDCDPULPR-CSNYQSHPSA-N 0 0 322.408 4.456 50 0 biogenic DIAARN O=C(CCc1cccc(Cl)c1Cl)NC(C1CC1)C1CC1 ZINC000031716860 563944845 /nfs/dbraw/zinc/94/48/45/563944845.db2.gz KMIRLUGVDUWCRK-UHFFFAOYSA-N 0 0 312.240 4.231 50 0 DIAARN C[C@@H](Nc1ncnc2ccccc21)c1ccccc1OC(F)F ZINC000031949157 563944914 /nfs/dbraw/zinc/94/49/14/563944914.db2.gz QFBBNKYRLXOZBH-LLVKDONJSA-N 0 0 315.323 4.404 50 0 DIAARN Cc1cc(C)c(NC(=O)CCc2ccc(F)c(F)c2)c(C)c1 ZINC000031872702 563944983 /nfs/dbraw/zinc/94/49/83/563944983.db2.gz VLXDFRVXKWIGAB-UHFFFAOYSA-N 0 0 303.352 4.461 50 0 DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004081429 563945104 /nfs/dbraw/zinc/94/51/04/563945104.db2.gz WRWBCPJQPDHXTJ-JZEPMIPJSA-N 0 0 304.474 4.061 50 0 biogenic DIAARN CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F ZINC000004246814 563945560 /nfs/dbraw/zinc/94/55/60/563945560.db2.gz UCYIWTIEOSUMKS-UHFFFAOYSA-N 0 0 319.792 4.449 50 0 DIAARN O=C(COc1ccccc1)N[C@H](c1cccs1)C1CCCC1 ZINC000032398335 563945766 /nfs/dbraw/zinc/94/57/66/563945766.db2.gz KWNJCERUEIJMDT-SFHVURJKSA-N 0 0 315.438 4.175 50 0 DIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000263433229 563945768 /nfs/dbraw/zinc/94/57/68/563945768.db2.gz SWQZOINEPAMWLN-MOPGFXCFSA-N 0 0 309.409 4.153 50 0 DIAARN Cc1cccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)c1 ZINC000032478457 563945800 /nfs/dbraw/zinc/94/58/00/563945800.db2.gz SOEHFHWOWNNYBY-UHFFFAOYSA-N 0 0 321.380 4.006 50 0 DIAARN Cc1noc(C)c1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000007985931 563946011 /nfs/dbraw/zinc/94/60/11/563946011.db2.gz CSOIIVYXCIEOOV-UHFFFAOYSA-N 0 0 306.365 4.140 50 0 DIAARN C[C@H](C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000263457162 563946140 /nfs/dbraw/zinc/94/61/40/563946140.db2.gz BADSTPLBNYRNMS-UOJCXKCYSA-N 0 0 321.848 4.161 50 0 DIAARN O=C(c1cc2ccccc2[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000008071990 563946410 /nfs/dbraw/zinc/94/64/10/563946410.db2.gz TULMORJLGNPDNH-UHFFFAOYSA-N 0 0 318.420 4.263 50 0 DIAARN c1csc(-c2nnc(SCc3cscn3)n2C2CC2)c1 ZINC000008075546 563946420 /nfs/dbraw/zinc/94/64/20/563946420.db2.gz RTRPYHAFLHMLGA-UHFFFAOYSA-N 0 0 320.468 4.090 50 0 DIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000008050343 563946426 /nfs/dbraw/zinc/94/64/26/563946426.db2.gz MLGPMYFVJQKWIP-OAHLLOKOSA-N 0 0 313.397 4.026 50 0 DIAARN COc1ccc(C)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000008075388 563946478 /nfs/dbraw/zinc/94/64/78/563946478.db2.gz ZRMWQPSCKCETGD-UHFFFAOYSA-N 0 0 309.409 4.454 50 0 DIAARN Cc1nc2sc3c(c2c(Oc2ccc(F)cc2)n1)CCC3 ZINC000008080535 563946589 /nfs/dbraw/zinc/94/65/89/563946589.db2.gz ZHGQHFMRWUAVDN-UHFFFAOYSA-N 0 0 300.358 4.420 50 0 DIAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1 ZINC000038152802 563946628 /nfs/dbraw/zinc/94/66/28/563946628.db2.gz XEEWMSXTQSRVAP-UHFFFAOYSA-N 0 0 313.360 4.254 50 0 DIAARN O=C(CCc1nc2ccccc2s1)NC1CCCCCC1 ZINC000008085510 563946655 /nfs/dbraw/zinc/94/66/55/563946655.db2.gz UYSATLUJJXJEHP-UHFFFAOYSA-N 0 0 302.443 4.068 50 0 DIAARN Cc1sc2nc(C)nc(Oc3ccc4c(c3)OCO4)c2c1C ZINC000008146717 563946947 /nfs/dbraw/zinc/94/69/47/563946947.db2.gz AYXJMYDQYAATHL-UHFFFAOYSA-N 0 0 314.366 4.138 50 0 DIAARN Cc1ccsc1-c1cccc(NC(=O)C2CCOCC2)c1 ZINC000066553380 563947046 /nfs/dbraw/zinc/94/70/46/563947046.db2.gz LKXKNNKTYQXDHJ-UHFFFAOYSA-N 0 0 301.411 4.089 50 0 DIAARN Cc1cc(C)cc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1 ZINC000008160811 563947047 /nfs/dbraw/zinc/94/70/47/563947047.db2.gz DQCLHNXSZPKNKN-UHFFFAOYSA-N 0 0 322.330 4.373 50 0 DIAARN OC(c1ccccc1)(c1ccccc1)C1SCCCS1 ZINC000038259273 563947098 /nfs/dbraw/zinc/94/70/98/563947098.db2.gz YUPQKLKTSXXYFK-UHFFFAOYSA-N 0 0 302.464 4.119 50 0 DIAARN CC(=O)Nc1ccc(-c2nc(N3CCCCC3)sc2C)cc1 ZINC000008225405 563947111 /nfs/dbraw/zinc/94/71/11/563947111.db2.gz FWXSNBGBYCJIKB-UHFFFAOYSA-N 0 0 315.442 4.067 50 0 DIAARN Clc1ccc2[nH]c(Sc3ncnc4sccc43)nc2c1 ZINC000008216098 563947150 /nfs/dbraw/zinc/94/71/50/563947150.db2.gz QDEIWIQPPNMIQM-UHFFFAOYSA-N 0 0 318.814 4.372 50 0 DIAARN C[C@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000008199593 563947154 /nfs/dbraw/zinc/94/71/54/563947154.db2.gz MVAKTKIXOXJJAM-LBPRGKRZSA-N 0 0 313.788 4.241 50 0 DIAARN Fc1ccc(COc2ccc(-c3nnco3)cc2)c(Cl)c1 ZINC000008185191 563947197 /nfs/dbraw/zinc/94/71/97/563947197.db2.gz SMSCNFBJTSOONO-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000008209688 563947228 /nfs/dbraw/zinc/94/72/28/563947228.db2.gz HQWKFRPLRVWMQV-UHFFFAOYSA-N 0 0 306.390 4.280 50 0 DIAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008232526 563947306 /nfs/dbraw/zinc/94/73/06/563947306.db2.gz SZLIJTMXUUDPID-CQSZACIVSA-N 0 0 320.845 4.177 50 0 DIAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC000008232524 563947314 /nfs/dbraw/zinc/94/73/14/563947314.db2.gz SZLIJTMXUUDPID-AWEZNQCLSA-N 0 0 320.845 4.177 50 0 DIAARN CC(C)n1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cn1 ZINC000066673668 563947379 /nfs/dbraw/zinc/94/73/79/563947379.db2.gz VXQWZFPDLVYUMC-UHFFFAOYSA-N 0 0 322.412 4.076 50 0 DIAARN CC(C)Cn1c(SCc2ccccc2)nc2ccccc2c1=O ZINC000008230250 563947433 /nfs/dbraw/zinc/94/74/33/563947433.db2.gz TWOQWFVFBSEAMN-UHFFFAOYSA-N 0 0 324.449 4.345 50 0 DIAARN O=C(NCc1ccc(F)cc1)c1cc2cc(F)ccc2s1 ZINC000008277532 563947518 /nfs/dbraw/zinc/94/75/18/563947518.db2.gz ZFVOCLBXTVDHET-UHFFFAOYSA-N 0 0 303.333 4.110 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000008280645 563947546 /nfs/dbraw/zinc/94/75/46/563947546.db2.gz KFMXWHQOWTVAKP-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN Cc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000008279185 563947583 /nfs/dbraw/zinc/94/75/83/563947583.db2.gz XGTMQOHLYGXXIE-CYBMUJFWSA-N 0 0 310.422 4.438 50 0 DIAARN O=C1Cc2cc(-c3csc(NC4CCCCC4)n3)ccc2N1 ZINC000008326374 563947820 /nfs/dbraw/zinc/94/78/20/563947820.db2.gz ZLERTFDCSVYMAP-UHFFFAOYSA-N 0 0 313.426 4.049 50 0 DIAARN O=C([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000263565159 563947856 /nfs/dbraw/zinc/94/78/56/563947856.db2.gz FHBHONNZPNHAKD-PMACEKPBSA-N 0 0 323.436 4.276 50 0 DIAARN C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccco1 ZINC000008359976 563948005 /nfs/dbraw/zinc/94/80/05/563948005.db2.gz OUUPKYPYABANAW-HNNXBMFYSA-N 0 0 321.376 4.203 50 0 DIAARN CCCCNC(=O)CSc1nc(-c2ccc(C)cc2)cs1 ZINC000008346119 563948128 /nfs/dbraw/zinc/94/81/28/563948128.db2.gz JMRVRMHXPUFIII-UHFFFAOYSA-N 0 0 320.483 4.127 50 0 DIAARN c1ccc(-c2nc(N3CCOCC3)sc2-c2ccccc2)cc1 ZINC000008395322 563948364 /nfs/dbraw/zinc/94/83/64/563948364.db2.gz XUSCWHCNMRYDGV-UHFFFAOYSA-N 0 0 322.433 4.314 50 0 DIAARN CSc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008394094 563948473 /nfs/dbraw/zinc/94/84/73/563948473.db2.gz ZAUKWPCJYDIUIB-HNNXBMFYSA-N 0 0 315.463 4.375 50 0 DIAARN Cc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000008405106 563948496 /nfs/dbraw/zinc/94/84/96/563948496.db2.gz OKEZJUAEALQDPY-UHFFFAOYSA-N 0 0 323.392 4.218 50 0 DIAARN O=c1[nH]c(C=Cc2cccc(Cl)c2Cl)nc2ccccc12 ZINC000008436560 563948548 /nfs/dbraw/zinc/94/85/48/563948548.db2.gz VDWWPMPZZQKUHX-CMDGGOBGSA-N 0 0 317.175 4.400 50 0 DIAARN O=C(CCc1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 ZINC000008428033 563948578 /nfs/dbraw/zinc/94/85/78/563948578.db2.gz FIFWFQHBEKJFDK-MRXNPFEDSA-N 0 0 315.413 4.112 50 0 DIAARN COc1cccc(O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000008429132 563948612 /nfs/dbraw/zinc/94/86/12/563948612.db2.gz TVKHLYKYFQWEAF-AWEZNQCLSA-N 0 0 321.376 4.254 50 0 DIAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCCCC1 ZINC000008429544 563948675 /nfs/dbraw/zinc/94/86/75/563948675.db2.gz KLIZFECDFZOEBL-UHFFFAOYSA-N 0 0 301.386 4.247 50 0 DIAARN CCc1ccc(-c2nc(COC(=O)c3ccccn3)cs2)cc1 ZINC000008447269 563948681 /nfs/dbraw/zinc/94/86/81/563948681.db2.gz OWXFCSZBPRSUAF-UHFFFAOYSA-N 0 0 324.405 4.125 50 0 DIAARN Cc1ccc(NC(=O)Cc2ccsc2)c(Br)c1 ZINC000008491595 563948741 /nfs/dbraw/zinc/94/87/41/563948741.db2.gz ABAKXZIEGYWPFE-UHFFFAOYSA-N 0 0 310.216 4.000 50 0 DIAARN C[C@H](Sc1nc2ccccc2s1)C(=O)NC1CCCCC1 ZINC000008488546 563948784 /nfs/dbraw/zinc/94/87/84/563948784.db2.gz OCZZIJTUECYLEM-NSHDSACASA-N 0 0 320.483 4.226 50 0 DIAARN CCc1ccc(-c2nc(SCc3ccccc3F)n[nH]2)cc1 ZINC000008484071 563948861 /nfs/dbraw/zinc/94/88/61/563948861.db2.gz FRHKIAXABGOYNN-UHFFFAOYSA-N 0 0 313.401 4.466 50 0 DIAARN COc1ccc2oc(/C=C/C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000067339513 563948988 /nfs/dbraw/zinc/94/89/88/563948988.db2.gz CHASJJBSPPYPKH-CSKARUKUSA-N 0 0 307.349 4.402 50 0 DIAARN COc1ccccc1NC(=O)c1c(C)nc2ccccc2c1C ZINC000008548739 563949041 /nfs/dbraw/zinc/94/90/41/563949041.db2.gz YMFGPBPRJVQVGO-UHFFFAOYSA-N 0 0 306.365 4.113 50 0 DIAARN CCc1ccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)cc1 ZINC000008611488 563949299 /nfs/dbraw/zinc/94/92/99/563949299.db2.gz XFYPJHCQKZWGRG-UHFFFAOYSA-N 0 0 322.408 4.444 50 0 DIAARN CCOc1cccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)c1 ZINC000008612403 563949334 /nfs/dbraw/zinc/94/93/34/563949334.db2.gz NKPDFCNXMLMITI-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN CC(C)c1nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2o1 ZINC000008611309 563949368 /nfs/dbraw/zinc/94/93/68/563949368.db2.gz FHPNDMOMOPMPCM-CYBMUJFWSA-N 0 0 308.381 4.442 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)c(C)c1 ZINC000008602768 563949382 /nfs/dbraw/zinc/94/93/82/563949382.db2.gz AIGCXDXMCWAFEO-MRXNPFEDSA-N 0 0 321.424 4.324 50 0 DIAARN Cc1nnc2c3ccccc3nc(Nc3ccc(C)c(Cl)c3)n12 ZINC000008594670 563949404 /nfs/dbraw/zinc/94/94/04/563949404.db2.gz MAUIWTAQQSLYML-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)c(C)c1 ZINC000008602765 563949433 /nfs/dbraw/zinc/94/94/33/563949433.db2.gz AIGCXDXMCWAFEO-INIZCTEOSA-N 0 0 321.424 4.324 50 0 DIAARN O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)c1ccccn1 ZINC000008614997 563949513 /nfs/dbraw/zinc/94/95/13/563949513.db2.gz QSBQCUJEGRWPFE-UHFFFAOYSA-N 0 0 321.355 4.459 50 0 DIAARN CCOC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000008614899 563949611 /nfs/dbraw/zinc/94/96/11/563949611.db2.gz UKNKFYWZJHMEJI-UHFFFAOYSA-N 0 0 319.364 4.064 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)ccc3F)cc2)n1 ZINC000008705201 563949713 /nfs/dbraw/zinc/94/97/13/563949713.db2.gz PLWKICYXBPUOQS-UHFFFAOYSA-N 0 0 323.371 4.189 50 0 DIAARN Cc1ccc2[nH]c3c(ncn(CCC4=CCCCC4)c3=O)c2c1 ZINC000008686200 563949804 /nfs/dbraw/zinc/94/98/04/563949804.db2.gz IIOWCECZHXSAQS-UHFFFAOYSA-N 0 0 307.397 4.077 50 0 DIAARN Fc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1 ZINC000008704417 563949828 /nfs/dbraw/zinc/94/98/28/563949828.db2.gz XIEGMSLYIJTVOY-UHFFFAOYSA-N 0 0 321.764 4.216 50 0 DIAARN O=C(N[C@H]1CCSc2ccccc21)c1c(F)cccc1Cl ZINC000008724798 563950169 /nfs/dbraw/zinc/95/01/69/563950169.db2.gz UCPXKWGDWDEOKN-ZDUSSCGKSA-N 0 0 321.804 4.446 50 0 DIAARN Cc1ccc2c(c1)CCCN2C(=O)c1nc(Cl)ccc1Cl ZINC000008750236 563950574 /nfs/dbraw/zinc/95/05/74/563950574.db2.gz VVNILIIRMLIVCQ-UHFFFAOYSA-N 0 0 321.207 4.290 50 0 DIAARN COc1cccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000008750872 563950582 /nfs/dbraw/zinc/95/05/82/563950582.db2.gz FBRMYOADZSZJCW-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN CCc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 ZINC000008751116 563950616 /nfs/dbraw/zinc/95/06/16/563950616.db2.gz LSXVWQPVKWLFMW-UHFFFAOYSA-N 0 0 315.423 4.081 50 0 DIAARN C[C@H](c1nnc(NC(=O)C2CCCCC2)s1)c1ccccc1 ZINC000008771070 563950768 /nfs/dbraw/zinc/95/07/68/563950768.db2.gz MKJVJNGOIUTWPR-LBPRGKRZSA-N 0 0 315.442 4.209 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(C)c2)cc1 ZINC000008817583 563950868 /nfs/dbraw/zinc/95/08/68/563950868.db2.gz OLCBTYLDFLSDRO-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN CCOC(=O)c1cc(-c2ccc(C)cc2)nn1Cc1ccccc1 ZINC000008830870 563950939 /nfs/dbraw/zinc/95/09/39/563950939.db2.gz GEFCACAYSAKOFD-UHFFFAOYSA-N 0 0 320.392 4.084 50 0 DIAARN COc1ccc(OC(=O)Cc2c(C)nc3ccccc3c2C)cc1 ZINC000068735814 563951161 /nfs/dbraw/zinc/95/11/61/563951161.db2.gz NOWNQKQNZCDEHK-UHFFFAOYSA-N 0 0 321.376 4.008 50 0 DIAARN O=C(Nc1nonc1-c1ccccc1)c1cccc2ccccc21 ZINC000008869483 563951168 /nfs/dbraw/zinc/95/11/68/563951168.db2.gz HUZWLMYGWFIHSD-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)[C@@H]1CC=CCC1 ZINC000040156303 563951678 /nfs/dbraw/zinc/95/16/78/563951678.db2.gz VJCQGLUGVSPRQL-MRXNPFEDSA-N 0 0 321.424 4.181 50 0 DIAARN COc1ccc([C@@H]2CCCCCN2Cc2nc(C)c(C)o2)cc1 ZINC000040158340 563951727 /nfs/dbraw/zinc/95/17/27/563951727.db2.gz YONMCUHZZSEBCY-SFHVURJKSA-N 0 0 314.429 4.417 50 0 DIAARN S=C(Nc1ccccc1Cl)N(Cc1ccco1)C1CC1 ZINC000009050042 563952073 /nfs/dbraw/zinc/95/20/73/563952073.db2.gz PYDKZKNCPDFOCJ-UHFFFAOYSA-N 0 0 306.818 4.294 50 0 DIAARN CCC1=Nc2ccccc2N=C(NC(C)=O)[C@@H]1c1ccc(F)cc1 ZINC000009095228 563952438 /nfs/dbraw/zinc/95/24/38/563952438.db2.gz QKCKQHZWKQUQLG-GOSISDBHSA-N 0 0 323.371 4.272 50 0 DIAARN CC(=O)OCCCC[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 ZINC000245380115 563952844 /nfs/dbraw/zinc/95/28/44/563952844.db2.gz RTYPTTJEBODVCN-OKYOBFRVSA-N 0 0 306.446 4.404 50 0 biogenic DIAARN CCCc1nc(C)c(C(=O)Nc2c(C)nn(C(C)C)c2C)s1 ZINC000069516019 563953215 /nfs/dbraw/zinc/95/32/15/563953215.db2.gz SYJXVQYCNZWYEX-UHFFFAOYSA-N 0 0 320.462 4.051 50 0 DIAARN Cc1occc1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000069491882 563953289 /nfs/dbraw/zinc/95/32/89/563953289.db2.gz SGXHARHSBDBCGI-UHFFFAOYSA-N 0 0 311.341 4.014 50 0 DIAARN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc2ccccc2n1 ZINC000069562027 563953563 /nfs/dbraw/zinc/95/35/63/563953563.db2.gz IFRQQYJQRKCUBY-QGZVFWFLSA-N 0 0 322.795 4.306 50 0 DIAARN Cc1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000009155554 563953599 /nfs/dbraw/zinc/95/35/99/563953599.db2.gz OBEXUCXAMLNPKX-VBYSZHOYSA-N 0 0 322.499 4.113 50 0 DIAARN CC(C)c1csc(C(=O)N([C@H](C)c2ccccn2)C2CC2)n1 ZINC000069581556 563953638 /nfs/dbraw/zinc/95/36/38/563953638.db2.gz ZETYOEZTOWXOHE-GFCCVEGCSA-N 0 0 315.442 4.027 50 0 DIAARN CCC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000069737947 563954298 /nfs/dbraw/zinc/95/42/98/563954298.db2.gz PDCMQJCRBWHSHZ-VAMGGRTRSA-N 0 0 320.436 4.111 50 0 DIAARN CCOc1ccccc1C[S@@](=O)[C@H](C)c1ccccc1F ZINC000069703121 563954409 /nfs/dbraw/zinc/95/44/09/563954409.db2.gz VDHXROYGDFSVBE-ASSNKEHSSA-N 0 0 306.402 4.234 50 0 DIAARN CCCc1nc(C)cc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000009250466 563954426 /nfs/dbraw/zinc/95/44/26/563954426.db2.gz XSQSISDZENQOJC-UHFFFAOYSA-N 0 0 309.457 4.197 50 0 DIAARN O=C(c1ccc2cc[nH]c2c1)N1CCC(Cc2ccccc2)CC1 ZINC000009305032 563954777 /nfs/dbraw/zinc/95/47/77/563954777.db2.gz LORQPNXMYSYGOX-UHFFFAOYSA-N 0 0 318.420 4.263 50 0 DIAARN Cc1ccccc1C[S@](=O)Cc1ccccc1C(F)(F)F ZINC000069807551 563954783 /nfs/dbraw/zinc/95/47/83/563954783.db2.gz XDCXKTJRFOYYDO-OAQYLSRUSA-N 0 0 312.356 4.463 50 0 DIAARN CCc1ccccc1NC(=O)c1ncc(-c2ccc(F)cc2)o1 ZINC000009321901 563955251 /nfs/dbraw/zinc/95/52/51/563955251.db2.gz NWEFOAMUXVZAQT-UHFFFAOYSA-N 0 0 310.328 4.295 50 0 DIAARN O=C(CCc1ccsc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000009384876 563955526 /nfs/dbraw/zinc/95/55/26/563955526.db2.gz DMMOYSFPGDLJTE-CQSZACIVSA-N 0 0 321.442 4.173 50 0 DIAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000070037258 563955800 /nfs/dbraw/zinc/95/58/00/563955800.db2.gz QCCFWKHNQFQVBQ-BNOWGMLFSA-N 0 0 312.438 4.010 50 0 DIAARN CSc1ccc(CN(C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000009459924 563956192 /nfs/dbraw/zinc/95/61/92/563956192.db2.gz BRXWGLWDEAZKBI-UHFFFAOYSA-N 0 0 304.390 4.212 50 0 DIAARN O=C(Nc1ccccc1F)c1csc(-c2cccs2)n1 ZINC000009497227 563956448 /nfs/dbraw/zinc/95/64/48/563956448.db2.gz LXPAYXXODBJLRY-UHFFFAOYSA-N 0 0 304.371 4.263 50 0 DIAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000009527356 563956536 /nfs/dbraw/zinc/95/65/36/563956536.db2.gz UAYPTTJIJDCJHZ-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN O=C(Nc1ccccc1F)c1ncoc1-c1cccc(Cl)c1 ZINC000009527370 563956613 /nfs/dbraw/zinc/95/66/13/563956613.db2.gz JYYMRWRMNVRNES-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)cc1C ZINC000009528265 563956719 /nfs/dbraw/zinc/95/67/19/563956719.db2.gz RQOJMILLDDKTJV-GOSISDBHSA-N 0 0 311.429 4.350 50 0 DIAARN Cc1ccc(-c2onc3ccc(C(=O)NC4CCCC4)cc32)cc1 ZINC000009528978 563956802 /nfs/dbraw/zinc/95/68/02/563956802.db2.gz ZLNGNSLQZAZKIO-UHFFFAOYSA-N 0 0 320.392 4.476 50 0 DIAARN CC(C)[C@@H]1c2cccn2CCN1C(=O)Nc1cc(F)ccc1F ZINC000009528298 563956824 /nfs/dbraw/zinc/95/68/24/563956824.db2.gz QZAZSBAFESHPSP-MRXNPFEDSA-N 0 0 319.355 4.011 50 0 DIAARN Cc1ccccc1NC(=O)NC[C@@H](O)c1cccc2ccccc21 ZINC000070636285 563957010 /nfs/dbraw/zinc/95/70/10/563957010.db2.gz QVBOTWCVSITQDB-LJQANCHMSA-N 0 0 320.392 4.003 50 0 DIAARN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000009659953 563957261 /nfs/dbraw/zinc/95/72/61/563957261.db2.gz SDRBAOCSRQXOBG-UHFFFAOYSA-N 0 0 321.376 4.445 50 0 biogenic DIAARN COc1cccc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000009711135 563957594 /nfs/dbraw/zinc/95/75/94/563957594.db2.gz RBJLMCVPMOOWJX-CYBMUJFWSA-N 0 0 324.380 4.002 50 0 DIAARN O=C(Nc1ccccc1Cl)c1n[nH]c2c1CCc1ccccc1-2 ZINC000009728169 563957657 /nfs/dbraw/zinc/95/76/57/563957657.db2.gz XTJVDNZGFISEPZ-UHFFFAOYSA-N 0 0 323.783 4.081 50 0 DIAARN CCCCNC(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000009846136 563957704 /nfs/dbraw/zinc/95/77/04/563957704.db2.gz ADZKSWGIIOYGIG-UHFFFAOYSA-N 0 0 309.822 4.070 50 0 DIAARN CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1 ZINC000009754299 563957751 /nfs/dbraw/zinc/95/77/51/563957751.db2.gz CECVOZOHLKGJQO-QFBILLFUSA-N 0 0 311.425 4.358 50 0 DIAARN Cc1cccc(CS[C@H](C)C(=O)NCc2ccc(F)cc2)c1 ZINC000009912446 563957921 /nfs/dbraw/zinc/95/79/21/563957921.db2.gz KPRXGUIQPAYYDP-CQSZACIVSA-N 0 0 317.429 4.072 50 0 DIAARN CCc1ccc([C@@H](NC(=O)c2ccccn2)c2cccs2)cc1 ZINC000009900948 563957996 /nfs/dbraw/zinc/95/79/96/563957996.db2.gz BCWJUBYUMKMTIH-GOSISDBHSA-N 0 0 322.433 4.225 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000010258453 563958327 /nfs/dbraw/zinc/95/83/27/563958327.db2.gz ZWBVHXIMSRUTHG-UHFFFAOYSA-N 0 0 312.156 4.041 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)Nc1nc2ccccc2s1 ZINC000010258945 563958370 /nfs/dbraw/zinc/95/83/70/563958370.db2.gz CYQFFAWBGKQNEY-UHFFFAOYSA-N 0 0 323.421 4.150 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccncc2)cc1C ZINC000071835229 563958989 /nfs/dbraw/zinc/95/89/89/563958989.db2.gz XCJJLNQNSBDVRO-SLFFLAALSA-N 0 0 320.436 4.166 50 0 DIAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(OC)c1 ZINC000071844197 563959125 /nfs/dbraw/zinc/95/91/25/563959125.db2.gz ZRJJKRIJMJWIIN-PMACEKPBSA-N 0 0 323.436 4.494 50 0 DIAARN CN(Cc1ccncc1)C(=O)Nc1cccc(-c2ccsc2)c1 ZINC000071862720 563959437 /nfs/dbraw/zinc/95/94/37/563959437.db2.gz NZMSOTDFIIUNFH-UHFFFAOYSA-N 0 0 323.421 4.474 50 0 DIAARN O=C(Nc1c(F)cccc1F)N(CCc1cccs1)C1CC1 ZINC000077171975 563960739 /nfs/dbraw/zinc/96/07/39/563960739.db2.gz YGTBCHPVSLVSKA-UHFFFAOYSA-N 0 0 322.380 4.265 50 0 DIAARN Fc1ccccc1[C@H](Cc1ccccc1)NCc1ccccn1 ZINC000077454232 563960835 /nfs/dbraw/zinc/96/08/35/563960835.db2.gz MSZQZRADFXCNAK-FQEVSTJZSA-N 0 0 306.384 4.294 50 0 DIAARN O=C(/C=C/c1ccccc1Cl)NCCCc1ccc(F)cc1 ZINC000078579016 563961216 /nfs/dbraw/zinc/96/12/16/563961216.db2.gz JWQGIRYPZLTGER-FMIVXFBMSA-N 0 0 317.791 4.241 50 0 DIAARN FC(F)(F)c1ccccc1-c1nc(COc2ccccc2)no1 ZINC000034907078 563961854 /nfs/dbraw/zinc/96/18/54/563961854.db2.gz MYTCAAFEXKRRRK-UHFFFAOYSA-N 0 0 320.270 4.334 50 0 DIAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)C(C)C ZINC000034913069 563961919 /nfs/dbraw/zinc/96/19/19/563961919.db2.gz WGWFJVFTZFOTCI-UHFFFAOYSA-N 0 0 321.424 4.022 50 0 DIAARN CCSc1ncc(Cl)c(C(=O)Nc2cc(C)cc(C)c2)n1 ZINC000013629087 568412543 /nfs/dbraw/zinc/41/25/43/568412543.db2.gz RZQDADDXTXVSPT-UHFFFAOYSA-N 0 0 321.833 4.111 50 0 DIAARN O=Cc1ccc(C2=CC3=C[C@H](c4ccc(C=O)[nH]4)CC[C@@H]3CC2)[nH]1 ZINC000025758523 568412693 /nfs/dbraw/zinc/41/26/93/568412693.db2.gz GLYNAPMHXIUNBZ-ZIAGYGMSSA-N 0 0 320.392 4.265 50 0 DIAARN COc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccccc3)cc2c1 ZINC000025765110 568412820 /nfs/dbraw/zinc/41/28/20/568412820.db2.gz YHZWMWZCNOEIEW-ZDUSSCGKSA-N 0 0 320.392 4.043 50 0 DIAARN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1F ZINC000010997388 568412822 /nfs/dbraw/zinc/41/28/22/568412822.db2.gz QUMYSNRKMHVMDZ-UHFFFAOYSA-N 0 0 323.367 4.096 50 0 DIAARN CCCn1ncc(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1C ZINC000063884528 568413194 /nfs/dbraw/zinc/41/31/94/568413194.db2.gz ZOCRCARUVJWXCX-AWEZNQCLSA-N 0 0 321.428 4.232 50 0 DIAARN C/C=C(\C)c1c(-c2ccccc2)ncn1Cc1cnc(C)cn1 ZINC000063883611 568413213 /nfs/dbraw/zinc/41/32/13/568413213.db2.gz AOEQZJYLVKVEMU-LNKIKWGQSA-N 0 0 304.397 4.120 50 0 DIAARN Cc1cscc1C(=O)Nc1scnc1-c1ccccc1 ZINC000176447049 568414149 /nfs/dbraw/zinc/41/41/49/568414149.db2.gz HKODIWHLBUYGEH-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1cccc2ccccc12 ZINC000002891605 568414264 /nfs/dbraw/zinc/41/42/64/568414264.db2.gz IJALZSNWEUNIGS-PDGQHHTCSA-N 0 0 317.319 4.323 50 0 DIAARN CC[C@@H](C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000045943194 568415447 /nfs/dbraw/zinc/41/54/47/568415447.db2.gz MIMBLKIXJDEKBD-SNVBAGLBSA-N 0 0 324.833 4.002 50 0 DIAARN Cc1ccc2nc(C)cc(C(=O)N[C@H](C)c3ccccc3)c2c1 ZINC000032961490 568416514 /nfs/dbraw/zinc/41/65/14/568416514.db2.gz DNIAXWZCWLNEPH-OAHLLOKOSA-N 0 0 304.393 4.343 50 0 DIAARN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cc(C3CC3)on2)cc1 ZINC000239761311 568416885 /nfs/dbraw/zinc/41/68/85/568416885.db2.gz CJLSHOJEDPDYRJ-SJLPKXTDSA-N 0 0 324.424 4.269 50 0 DIAARN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cc(C3CC3)on2)cc1 ZINC000239761309 568416900 /nfs/dbraw/zinc/41/69/00/568416900.db2.gz CJLSHOJEDPDYRJ-FUHWJXTLSA-N 0 0 324.424 4.269 50 0 DIAARN CC(C)c1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000012587950 568417347 /nfs/dbraw/zinc/41/73/47/568417347.db2.gz LFYXJMBABLLIPW-UHFFFAOYSA-N 0 0 321.306 4.010 50 0 DIAARN Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)c1 ZINC000012586957 568417388 /nfs/dbraw/zinc/41/73/88/568417388.db2.gz OXLLLCIVZZYQEQ-HNNXBMFYSA-N 0 0 308.425 4.231 50 0 DIAARN Cc1ccc(OC2CCN(c3nc4ccccc4o3)CC2)cc1C ZINC000084180698 568417829 /nfs/dbraw/zinc/41/78/29/568417829.db2.gz DTEHYFKTOCPBBP-UHFFFAOYSA-N 0 0 322.408 4.492 50 0 DIAARN CC(C)C[C@@H](C(=O)Nc1cccc2ncccc21)n1cccc1 ZINC000575443584 568418110 /nfs/dbraw/zinc/41/81/10/568418110.db2.gz VCEVOQVTULZINA-SFHVURJKSA-N 0 0 307.397 4.262 50 0 DIAARN CCCCCCNC(=O)c1cncc(-c2ccc(F)cc2)c1 ZINC000035514593 568418492 /nfs/dbraw/zinc/41/84/92/568418492.db2.gz DWRACEPPFLDOHK-UHFFFAOYSA-N 0 0 300.377 4.198 50 0 DIAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)NCC1CCCCCCC1 ZINC000071820048 568419970 /nfs/dbraw/zinc/41/99/70/568419970.db2.gz HQBDOFDXXNVQMI-UHFFFAOYSA-N 0 0 319.493 4.345 50 0 DIAARN Cc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000010964676 1036265008 /nfs/dbraw/zinc/26/50/08/1036265008.db2.gz FGGKVKUBYDJXEB-HNNXBMFYSA-N 0 0 301.386 4.101 50 0 DIAARN CC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033012656 1036865111 /nfs/dbraw/zinc/86/51/11/1036865111.db2.gz ONTWYOHARSVYNB-UHFFFAOYSA-N 0 0 321.380 4.388 50 0 DIAARN Cc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 ZINC000022205348 1036896443 /nfs/dbraw/zinc/89/64/43/1036896443.db2.gz VTHSPUGVWSHMIA-MRXNPFEDSA-N 0 0 320.219 4.449 50 0 DIAARN CC[C@H](OC)c1noc(C2(c3ccc(OC)cc3)CCCC2)n1 ZINC000289489599 1036931627 /nfs/dbraw/zinc/93/16/27/1036931627.db2.gz XJZPFLYZJKFSEP-HNNXBMFYSA-N 0 0 316.401 4.036 50 0 DIAARN FC(F)(F)Cn1ccnc1/C=C\c1nc2ccccc2s1 ZINC000255173657 1036968443 /nfs/dbraw/zinc/96/84/43/1036968443.db2.gz VWVYHTYJFXTGHX-WAYWQWQTSA-N 0 0 309.316 4.226 50 0 DIAARN O=C(OCCCC(F)(F)C(F)(F)F)c1ccccc1Cl ZINC000002275285 1036994398 /nfs/dbraw/zinc/99/43/98/1036994398.db2.gz XYFSPFJGPSKPNI-UHFFFAOYSA-N 0 0 316.653 4.475 50 0 DIAARN Cc1ccc2c(CN[C@@H](C)c3ccccc3F)cc(=O)oc2c1 ZINC000033040109 1037185979 /nfs/dbraw/zinc/18/59/79/1037185979.db2.gz OKCDPFUJHGPYNF-ZDUSSCGKSA-N 0 0 311.356 4.091 50 0 DIAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccs1 ZINC000000069039 1037788786 /nfs/dbraw/zinc/78/87/86/1037788786.db2.gz SKTFIUBIZPYPDO-UHFFFAOYSA-N 0 0 319.389 4.315 50 0 DIAARN Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000002578319 1038055248 /nfs/dbraw/zinc/05/52/48/1038055248.db2.gz OIHNFEJZERIEQC-UHFFFAOYSA-N 0 0 302.424 4.050 50 0 DIAARN Cc1c(Cl)c(CSc2nncs2)nc2ccccc12 ZINC000014115128 1038486538 /nfs/dbraw/zinc/48/65/38/1038486538.db2.gz MEEKPXHHAORJGU-UHFFFAOYSA-N 0 0 307.831 4.340 50 0 DIAARN C[C@@H]1CCCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1 ZINC000014113713 1038486804 /nfs/dbraw/zinc/48/68/04/1038486804.db2.gz AKQPUYYGJWUEHN-GFCCVEGCSA-N 0 0 321.346 4.399 50 0 DIAARN CCCOC(OCCC)[P@@](=O)(OCCC)c1ccccc1 ZINC000002831387 1038636411 /nfs/dbraw/zinc/63/64/11/1038636411.db2.gz HNFJYBZHSWBQKU-NRFANRHFSA-N 0 0 314.362 4.153 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1Cl ZINC000000179886 1038674008 /nfs/dbraw/zinc/67/40/08/1038674008.db2.gz JLIZSNTWESGWSQ-INIZCTEOSA-N 0 0 303.814 4.427 50 0 DIAARN COc1ccccc1/C=C/C1=N/C(=C\c2ccc(C)cc2)C(=O)O1 ZINC000000178506 1038675296 /nfs/dbraw/zinc/67/52/96/1038675296.db2.gz ITNLHPFUWUCELQ-VBEVGYOXSA-N 0 0 319.360 4.013 50 0 DIAARN CC[C@@H](Nc1ccc2c(c1)NC(=O)CC2)c1ccc(F)cc1F ZINC000174192047 1038900588 /nfs/dbraw/zinc/90/05/88/1038900588.db2.gz CZTLBGCWPIGJKR-MRXNPFEDSA-N 0 0 316.351 4.413 50 0 DIAARN CCn1c(S[C@H]2C[C@@H](C)O[C@@H](C)C2)nnc1-c1cccs1 ZINC000292563476 1039112156 /nfs/dbraw/zinc/11/21/56/1039112156.db2.gz BWDUWHHXTLDIKS-GDNZZTSVSA-N 0 0 323.487 4.075 50 0 DIAARN O=C(c1coc(C2CCC2)n1)N1CCCC[C@H]2CCCC[C@H]21 ZINC000252494211 1039754869 /nfs/dbraw/zinc/75/48/69/1039754869.db2.gz NOLQXQMHNAGDKO-CZUORRHYSA-N 0 0 302.418 4.127 50 0 DIAARN O=C(c1coc(C2CCC2)n1)N1CCCC[C@@H]2CCCC[C@@H]21 ZINC000252494209 1039755463 /nfs/dbraw/zinc/75/54/63/1039755463.db2.gz NOLQXQMHNAGDKO-BBRMVZONSA-N 0 0 302.418 4.127 50 0 DIAARN Clc1ccc2[nH]c(Cc3nc4cc(Cl)ccc4[nH]3)nc2c1 ZINC000196575851 1040171888 /nfs/dbraw/zinc/17/18/88/1040171888.db2.gz NUFBAXBZAWCQRO-UHFFFAOYSA-N 0 0 317.179 4.337 50 0 DIAARN O=C(Nc1cccc2ccccc21)OCC(F)(F)C(F)F ZINC000003154940 1040254788 /nfs/dbraw/zinc/25/47/88/1040254788.db2.gz MQNWYQNKLAOPMQ-UHFFFAOYSA-N 0 0 301.239 4.289 50 0 DIAARN COc1ccc(-c2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000003187101 1040304998 /nfs/dbraw/zinc/30/49/98/1040304998.db2.gz YKCNJIWNHSTERA-UHFFFAOYSA-N 0 0 319.408 4.296 50 0 DIAARN c1cc(CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)co1 ZINC000177004341 1040327084 /nfs/dbraw/zinc/32/70/84/1040327084.db2.gz CTNJERRVAJNHPL-UHFFFAOYSA-N 0 0 323.396 4.105 50 0 DIAARN Cc1ncc(CN(C)Cc2ccccc2OC2CCCC2)s1 ZINC000179380960 1040448418 /nfs/dbraw/zinc/44/84/18/1040448418.db2.gz VLIAMYNXCKAIEL-UHFFFAOYSA-N 0 0 316.470 4.405 50 0 DIAARN Cc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000096662903 1040497943 /nfs/dbraw/zinc/49/79/43/1040497943.db2.gz UTSKJXMXHBBKJM-MLPAPPSSSA-N 0 0 314.728 4.049 50 0 DIAARN O=C1O[C@](OCc2ccccc2)(c2ccccc2)c2ccccc21 ZINC000023279765 1040546111 /nfs/dbraw/zinc/54/61/11/1040546111.db2.gz YKKBYZVXIPEADE-OAQYLSRUSA-N 0 0 316.356 4.275 50 0 DIAARN Fc1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)c(Cl)c1 ZINC000194900600 1040622419 /nfs/dbraw/zinc/62/24/19/1040622419.db2.gz RXJOODCZITYTSN-UHFFFAOYSA-N 0 0 319.723 4.452 50 0 DIAARN C/C(=C\c1ccccc1)CNc1ccc([S@@](C)=O)c(F)c1 ZINC000178250758 1041330650 /nfs/dbraw/zinc/33/06/50/1041330650.db2.gz ZEFFAHHKUDVGFE-QYFOZDBKSA-N 0 0 303.402 4.079 50 0 DIAARN Cc1ccc(-c2nc(C(=O)N(CC3CCC3)C(C)C)cs2)o1 ZINC000195152042 1041367438 /nfs/dbraw/zinc/36/74/38/1041367438.db2.gz LPIFQPIKOZTKIB-UHFFFAOYSA-N 0 0 318.442 4.362 50 0 DIAARN COc1cccc2cc(/C=C/C(=O)Nc3ccccc3OC)oc21 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CC(C)c1nc2sc3c(c2c(N2CCCC2)n1)CCCC3 ZINC000035892725 1047496684 /nfs/dbraw/zinc/49/66/84/1047496684.db2.gz MZALWZONKQRTKJ-UHFFFAOYSA-N 0 0 301.459 4.294 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000007971345 1047516267 /nfs/dbraw/zinc/51/62/67/1047516267.db2.gz ITFMRDGFOAXANC-LLVKDONJSA-N 0 0 315.438 4.442 50 0 DIAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccccn1 ZINC000089558898 1047599540 /nfs/dbraw/zinc/59/95/40/1047599540.db2.gz ZVLSLKMDFINVKW-LBPRGKRZSA-N 0 0 318.446 4.195 50 0 DIAARN O=C1NC(=S)SC1=Cc1ccc(-c2ccccc2F)o1 ZINC000033714279 1048485056 /nfs/dbraw/zinc/48/50/56/1048485056.db2.gz VPJBZLIEBGNCQE-KPKJPENVSA-N 0 0 305.355 4.415 50 0 DIAARN COc1cccc([C@@H](C)NC(=S)Nc2cccc(C)c2)c1 ZINC000006967555 1048540423 /nfs/dbraw/zinc/54/04/23/1048540423.db2.gz ZNVPCSZJDIAFNI-CYBMUJFWSA-N 0 0 300.427 4.051 50 0 DIAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)C3CCC3)n2c1 ZINC000006971070 1048541874 /nfs/dbraw/zinc/54/18/74/1048541874.db2.gz LNWPATAHOXARKK-UHFFFAOYSA-N 0 0 305.381 4.048 50 0 DIAARN Clc1c2ccsc2sc1-c1nc(-c2cnccn2)no1 ZINC000084509643 1048926488 /nfs/dbraw/zinc/92/64/88/1048926488.db2.gz QMDDKTUSBRVCKZ-UHFFFAOYSA-N 0 0 320.786 4.123 50 0 DIAARN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2F)o1 ZINC000084525464 1048927009 /nfs/dbraw/zinc/92/70/09/1048927009.db2.gz XRRPYOXCPDKARS-RDJZCZTQSA-N 0 0 321.351 4.372 50 0 DIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2F)S1 ZINC000071287039 1049564030 /nfs/dbraw/zinc/56/40/30/1049564030.db2.gz DPQBYFGZGBLDNC-ZDUSSCGKSA-N 0 0 305.378 4.195 50 0 DIAARN CC[C@H](C)n1nccc1NC(=O)/C=C/c1cccc2cccnc12 ZINC000084726987 1049923806 /nfs/dbraw/zinc/92/38/06/1049923806.db2.gz RMSVEMZSTZMCLX-HBWSCVEGSA-N 0 0 320.396 4.054 50 0 DIAARN Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(-c2ccco2)n1 ZINC000825290836 1050297306 /nfs/dbraw/zinc/29/73/06/1050297306.db2.gz VIHKVALIFYBBRE-UHFFFAOYSA-N 0 0 310.401 4.051 50 0 DIAARN Cc1ccsc1C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 ZINC000828234777 1050485504 /nfs/dbraw/zinc/48/55/04/1050485504.db2.gz JVZVHJRIWMVXPJ-AWEZNQCLSA-N 0 0 302.443 4.359 50 0 DIAARN CC(C)c1cccc(N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000192943263 1051013081 /nfs/dbraw/zinc/01/30/81/1051013081.db2.gz VEPABPIAEKHSEF-QGZVFWFLSA-N 0 0 315.438 4.141 50 0 DIAARN CCOC1CC(c2nc(Cc3ccc(C(C)(C)C)cc3)no2)C1 ZINC000952845671 1051121664 /nfs/dbraw/zinc/12/16/64/1051121664.db2.gz NCNWBYHBFGAMOL-UHFFFAOYSA-N 0 0 314.429 4.240 50 0 DIAARN Cc1n[nH]cc1CN(C)Cc1ccc(SC2CCCCC2)o1 ZINC000952965737 1051123273 /nfs/dbraw/zinc/12/32/73/1051123273.db2.gz RQWWTJXHQFZOCT-UHFFFAOYSA-N 0 0 319.474 4.368 50 0 DIAARN O=C(C[C@@H](c1ccco1)c1ccccc1)N1CCC(F)(F)CC1 ZINC000952975031 1051123367 /nfs/dbraw/zinc/12/33/67/1051123367.db2.gz CYFSVHHUTVZIJV-OAHLLOKOSA-N 0 0 319.351 4.059 50 0 DIAARN O=C(Nc1cccc(-c2c[nH]cn2)c1)c1ccc(F)cc1Cl ZINC000952972335 1051123499 /nfs/dbraw/zinc/12/34/99/1051123499.db2.gz OWTFJTRQRPXBJH-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN COc1ccc(Cl)cc1-c1ccc([C@@H](C)NC(C)=O)cc1 ZINC000952976075 1051124004 /nfs/dbraw/zinc/12/40/04/1051124004.db2.gz DRGBRKLBMGTLBA-LLVKDONJSA-N 0 0 303.789 4.213 50 0 DIAARN Cc1nc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cs1 ZINC000952985564 1051126586 /nfs/dbraw/zinc/12/65/86/1051126586.db2.gz CHFDFSNAFBDYIJ-MRXNPFEDSA-N 0 0 318.417 4.348 50 0 DIAARN Cc1cccc(NC(=O)N2CC[C@@H](CCOc3ccccc3)C2)c1 ZINC000581788507 1051312813 /nfs/dbraw/zinc/31/28/13/1051312813.db2.gz MJJFGJAUWOFOPL-KRWDZBQOSA-N 0 0 324.424 4.318 50 0 DIAARN CCCCc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000002807377 1051787177 /nfs/dbraw/zinc/78/71/77/1051787177.db2.gz WUUIVSWBGBAEIA-UHFFFAOYSA-N 0 0 313.397 4.299 50 0 DIAARN CN(C(=O)Nc1ccccc1N1CCCCCC1)C1CCC1 ZINC000174788326 1051893013 /nfs/dbraw/zinc/89/30/13/1051893013.db2.gz QPJRJQPJNAFILN-UHFFFAOYSA-N 0 0 301.434 4.083 50 0 DIAARN CC(C)c1nc(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)cs1 ZINC000252550673 1052626801 /nfs/dbraw/zinc/62/68/01/1052626801.db2.gz SXHPDTBWEXKWKM-DZGCQCFKSA-N 0 0 306.475 4.451 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)/C=C\c1ccco1 ZINC000033304668 1052722462 /nfs/dbraw/zinc/72/24/62/1052722462.db2.gz AXZXWAOZMSZXRO-ALCCZGGFSA-N 0 0 306.159 4.002 50 0 DIAARN N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000033410652 1052759711 /nfs/dbraw/zinc/75/97/11/1052759711.db2.gz RMRLPEYVLHORAL-ZLRVCTSNSA-N 0 0 308.768 4.442 50 0 DIAARN COc1cccc(CN(C)C(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000033462718 1052776125 /nfs/dbraw/zinc/77/61/25/1052776125.db2.gz LGTLTAUDHDTDSW-KTKRTIGZSA-N 0 0 315.800 4.020 50 0 DIAARN COC(=O)c1ccc(/C=C\c2nc3cc(Cl)ccc3o2)cc1 ZINC000033474325 1052781516 /nfs/dbraw/zinc/78/15/16/1052781516.db2.gz LSIWVLPBKKFIQH-WTKPLQERSA-N 0 0 313.740 4.438 50 0 DIAARN CCCCOc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000033528142 1052794342 /nfs/dbraw/zinc/79/43/42/1052794342.db2.gz BDDZIRMHQLTYKG-RAXLEYEMSA-N 0 0 320.392 4.272 50 0 DIAARN Cc1ccc(NC(=O)CN(C)Cc2ccccc2C)c(Cl)c1 ZINC000007845308 1053028698 /nfs/dbraw/zinc/02/86/98/1053028698.db2.gz HXLAERODDNPJNG-UHFFFAOYSA-N 0 0 316.832 4.027 50 0 DIAARN Clc1ccc(C2=NNC(=NC3CCCCC3)SC2)cc1 ZINC000007849566 1053033184 /nfs/dbraw/zinc/03/31/84/1053033184.db2.gz BYAHRFHXNPJVOI-UHFFFAOYSA-N 0 0 307.850 4.069 50 0 DIAARN COc1cccc(F)c1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000184431143 1054037452 /nfs/dbraw/zinc/03/74/52/1054037452.db2.gz RQOIPPURKWUXEB-SNVBAGLBSA-N 0 0 319.401 4.273 50 0 DIAARN Cc1nc(CN[C@@H](C)c2nc(C3CCCCC3)no2)sc1C ZINC000185228257 1054481313 /nfs/dbraw/zinc/48/13/13/1054481313.db2.gz FRHKVLCIXATFCF-NSHDSACASA-N 0 0 320.462 4.041 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013467456 1055686603 /nfs/dbraw/zinc/68/66/03/1055686603.db2.gz BRQAXEKVGOTNJM-XUFBONQXSA-N 0 0 300.442 4.045 50 0 DIAARN COc1ccc2c(CNc3cccc(C)c3C)cc(=O)oc2c1 ZINC000002120006 1055923144 /nfs/dbraw/zinc/92/31/44/1055923144.db2.gz GBOAIQFJHILTGI-UHFFFAOYSA-N 0 0 309.365 4.031 50 0 biogenic DIAARN C[C@@H](O)c1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000035632035 1055992875 /nfs/dbraw/zinc/99/28/75/1055992875.db2.gz MEPQPORBVBFQAO-SECBINFHSA-N 0 0 311.150 4.434 50 0 DIAARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@@]21C ZINC000004023279 1056013103 /nfs/dbraw/zinc/01/31/03/1056013103.db2.gz TTWYUPSVWLOIRF-YRYYUTHUSA-N 0 0 316.441 4.060 50 0 biogenic DIAARN N=C1S/C(=C\c2ccco2)C(=O)N1c1cccc2ccccc21 ZINC000006603263 1056061027 /nfs/dbraw/zinc/06/10/27/1056061027.db2.gz SDEZJSVNXZIQHW-DSGQZADNSA-N 0 0 320.373 4.488 50 0 DIAARN CC(C)CC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000012296637 1056398850 /nfs/dbraw/zinc/39/88/50/1056398850.db2.gz FNUSWOJFUOYEFE-UHFFFAOYSA-N 0 0 321.376 4.445 50 0 biogenic DIAARN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NC1CCCCC1 ZINC000013019465 1056509301 /nfs/dbraw/zinc/50/93/01/1056509301.db2.gz GJSMXZVIARXTOR-ZHACJKMWSA-N 0 0 314.816 4.350 50 0 DIAARN Cc1nnc(COc2ccc(OCc3ccccc3)cc2)s1 ZINC000358554795 1056776130 /nfs/dbraw/zinc/77/61/30/1056776130.db2.gz KXWQKWZOGFHURF-UHFFFAOYSA-N 0 0 312.394 4.005 50 0 DIAARN Cc1ccc(N[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc1C ZINC000012313868 1057019691 /nfs/dbraw/zinc/01/96/91/1057019691.db2.gz FEFSBCOGLZFWQU-LJQANCHMSA-N 0 0 314.473 4.287 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 ZINC000012561761 1057383762 /nfs/dbraw/zinc/38/37/62/1057383762.db2.gz AUUMYFDMYLAOAX-UHFFFAOYSA-N 0 0 323.421 4.404 50 0 DIAARN C[C@@H](NC(=O)/C=C\c1ccn(C)c1)c1cccc2ccccc21 ZINC000606442842 1057613065 /nfs/dbraw/zinc/61/30/65/1057613065.db2.gz RBLRSTTXHZESCA-JQPIKURYSA-N 0 0 304.393 4.069 50 0 DIAARN CC(C)c1nsc(COC(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000606444153 1057614188 /nfs/dbraw/zinc/61/41/88/1057614188.db2.gz YURJJEHPYPTHFH-YVMONPNESA-N 0 0 322.817 4.072 50 0 DIAARN Cc1cnn(C2CCCC2)c1NC(=O)c1ccc(C)n1C(F)F ZINC001529178193 1058630859 /nfs/dbraw/zinc/63/08/59/1058630859.db2.gz KGKWNQIKXLCLKT-UHFFFAOYSA-N 0 0 322.359 4.064 50 0 DIAARN Cc1ccc2c(C)cc(NCCCNc3cccnc3)nc2c1C ZINC001529198895 1058636472 /nfs/dbraw/zinc/63/64/72/1058636472.db2.gz OWMGWZWIOMOIBA-UHFFFAOYSA-N 0 0 320.440 4.469 50 0 DIAARN Cc1cc(Br)ccc1[C@H](C)NC(=O)OC(C)(C)C ZINC001529596233 1058769790 /nfs/dbraw/zinc/76/97/90/1058769790.db2.gz ANJGLIPDEKZXIW-JTQLQIEISA-N 0 0 314.223 4.343 50 0 DIAARN Cc1cccc(-c2nn3c(CSC(C)(C)C)nnc3s2)c1 ZINC001501040241 1063492747 /nfs/dbraw/zinc/49/27/47/1063492747.db2.gz ICUNHNBUXZYCJO-UHFFFAOYSA-N 0 0 318.471 4.193 50 0 DIAARN c1nnc(CNc2nc3ccccc3s2)n1C1CCCCC1 ZINC001506406798 1063506553 /nfs/dbraw/zinc/50/65/53/1063506553.db2.gz ORZUKMAFFTUURQ-UHFFFAOYSA-N 0 0 313.430 4.005 50 0 DIAARN CCO[C@@H](C)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1 ZINC001506419195 1063510656 /nfs/dbraw/zinc/51/06/56/1063510656.db2.gz WOJMTTOGHBVIHC-INIZCTEOSA-N 0 0 311.425 4.288 50 0 DIAARN Cc1nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000074705291 185010428 /nfs/dbraw/zinc/01/04/28/185010428.db2.gz NAXWWGKLFQXBRT-UHFFFAOYSA-N 0 0 319.286 4.142 50 0 DIAARN CCCN(C(=O)/C=C/c1ccco1)[C@H]1CCCc2cccnc21 ZINC000225397563 201701383 /nfs/dbraw/zinc/70/13/83/201701383.db2.gz NWYHQGORWKUOIE-DVQDXYAYSA-N 0 0 310.397 4.004 50 0 DIAARN CCO[C@@H](C)c1nc(CSCc2cnc(C)s2)cs1 ZINC000076861083 185047931 /nfs/dbraw/zinc/04/79/31/185047931.db2.gz YYIPXGNFFOQKHZ-VIFPVBQESA-N 0 0 314.501 4.439 50 0 DIAARN O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCC(F)F ZINC000095522095 185377516 /nfs/dbraw/zinc/37/75/16/185377516.db2.gz NACOHBDJKLFKBG-AWEZNQCLSA-N 0 0 323.770 4.243 50 0 DIAARN O=C(/C=C\c1ccco1)NC1c2ccccc2-c2ccccc21 ZINC000096861286 185389790 /nfs/dbraw/zinc/38/97/90/185389790.db2.gz NSRQPDCVDYVTMM-QXMHVHEDSA-N 0 0 301.345 4.179 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000096925050 185391640 /nfs/dbraw/zinc/39/16/40/185391640.db2.gz ZOABESMFLXDZTK-VHNWJRSRSA-N 0 0 321.420 4.381 50 0 DIAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C)o1 ZINC000096920635 185391780 /nfs/dbraw/zinc/39/17/80/185391780.db2.gz VNHBSBBFLIDKES-IDTUSYRASA-N 0 0 301.411 4.199 50 0 DIAARN COc1ccc(C)cc1NC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000096925585 185391930 /nfs/dbraw/zinc/39/19/30/185391930.db2.gz HTDNUBZIWBEVFT-PSASAPJRSA-N 0 0 311.381 4.372 50 0 DIAARN O=C(/C=C\c1c(F)cccc1Cl)N1CCc2sccc2C1 ZINC000096940835 185393140 /nfs/dbraw/zinc/39/31/40/185393140.db2.gz RHLGGIXTUCECNQ-PLNGDYQASA-N 0 0 321.804 4.139 50 0 DIAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1csc(C)n1 ZINC000096940647 185393256 /nfs/dbraw/zinc/39/32/56/185393256.db2.gz HKSBDDILEWHBGR-WSNITJDQSA-N 0 0 318.467 4.062 50 0 DIAARN CCNC(=O)c1ccc(O[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000089977517 185273301 /nfs/dbraw/zinc/27/33/01/185273301.db2.gz BJGLWAWFWDNSSO-SFHVURJKSA-N 0 0 313.372 4.032 50 0 DIAARN CCCn1c2ccccc2nc1-c1cnn(Cc2ccccc2)c1 ZINC000089960704 185271907 /nfs/dbraw/zinc/27/19/07/185271907.db2.gz JIDHGLBHENLIQC-UHFFFAOYSA-N 0 0 316.408 4.358 50 0 DIAARN O=C(CNc1cccc2ccccc21)N1CCC[C@H]2CCCC[C@H]21 ZINC000096969205 185394482 /nfs/dbraw/zinc/39/44/82/185394482.db2.gz FIEGSPUWQRHVFU-YLJYHZDGSA-N 0 0 322.452 4.433 50 0 DIAARN O=C1C[C@H](c2nc3cc(Cl)ccc3o2)CN1c1ccccc1 ZINC000082087158 192354239 /nfs/dbraw/zinc/35/42/39/192354239.db2.gz LKRJORGMWCRTQT-NSHDSACASA-N 0 0 312.756 4.002 50 0 DIAARN COc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1 ZINC000090547488 185302179 /nfs/dbraw/zinc/30/21/79/185302179.db2.gz IQWLQUXEBJKPSF-UHFFFAOYSA-N 0 0 317.348 4.148 50 0 DIAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1 ZINC000000509726 190615376 /nfs/dbraw/zinc/61/53/76/190615376.db2.gz RGRBKUGMRQHHIF-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN O=C(Nc1ccc(F)cc1)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000003084297 190616962 /nfs/dbraw/zinc/61/69/62/190616962.db2.gz JAXCJFUZBOSNDM-OAHLLOKOSA-N 0 0 324.182 4.280 50 0 DIAARN C/C=C/C=C\C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000096983267 185395161 /nfs/dbraw/zinc/39/51/61/185395161.db2.gz LQPMRGSVABZSNL-HOJFPOIOSA-N 0 0 310.422 4.370 50 0 DIAARN CSc1ccc(CN(C)C(=O)c2cccc3cccnc32)cc1 ZINC000008072696 190630158 /nfs/dbraw/zinc/63/01/58/190630158.db2.gz FQQKTLURBUMFIO-UHFFFAOYSA-N 0 0 322.433 4.229 50 0 DIAARN O=C(c1ncoc1C1CC1)N1CCCC[C@H]1CCc1ccccc1 ZINC000082126304 192359423 /nfs/dbraw/zinc/35/94/23/192359423.db2.gz ANDJSSUICJRAAQ-KRWDZBQOSA-N 0 0 324.424 4.180 50 0 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/nfs/dbraw/zinc/28/65/94/186286594.db2.gz IKNLTXFCDZSFTC-UHFFFAOYSA-N 0 0 314.435 4.110 50 0 DIAARN c1coc(-c2nc3ccccc3c(SC[C@H]3CCCO3)n2)c1 ZINC000072303368 191116886 /nfs/dbraw/zinc/11/68/86/191116886.db2.gz GRQXMNMHFOJGQZ-GFCCVEGCSA-N 0 0 312.394 4.161 50 0 DIAARN Cc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000072328945 191123805 /nfs/dbraw/zinc/12/38/05/191123805.db2.gz WPYKEBNDEYWTIR-ZDUSSCGKSA-N 0 0 323.371 4.015 50 0 DIAARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000072329132 191124327 /nfs/dbraw/zinc/12/43/27/191124327.db2.gz WVOYKZKZFWUFQP-CYBMUJFWSA-N 0 0 323.371 4.015 50 0 DIAARN CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000000001375 180667554 /nfs/dbraw/zinc/66/75/54/180667554.db2.gz KDPQTPZDVJHMET-XSYGEPLQSA-N 0 0 312.409 4.037 50 0 DIAARN COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1 ZINC000000028441 180671348 /nfs/dbraw/zinc/67/13/48/180671348.db2.gz PNGQTNOFXWGWDD-KGLIPLIRSA-N 0 0 324.405 4.047 50 0 DIAARN CSc1c2ccccc2n(C)c1CC(=O)Nc1ccccc1 ZINC000000036668 180674557 /nfs/dbraw/zinc/67/45/57/180674557.db2.gz CMQCILKLCYYXPO-UHFFFAOYSA-N 0 0 310.422 4.081 50 0 DIAARN O=C1C[C@@H](c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000068986 180683036 /nfs/dbraw/zinc/68/30/36/180683036.db2.gz ZQXURZCNHXOOIY-AWEZNQCLSA-N 0 0 320.175 4.041 50 0 DIAARN O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000044167 180675949 /nfs/dbraw/zinc/67/59/49/180675949.db2.gz REOIMNCJSXYMPK-UHFFFAOYSA-N 0 0 312.365 4.326 50 0 DIAARN O=C1N=C(Nc2ccc(F)c(F)c2)C(=Cc2ccncc2)S1 ZINC000072401060 191151163 /nfs/dbraw/zinc/15/11/63/191151163.db2.gz PNSWEDHTYHAXOH-QPEQYQDCSA-N 0 0 317.320 4.078 50 0 DIAARN Cn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2cc(F)ccc21 ZINC000072404016 191151989 /nfs/dbraw/zinc/15/19/89/191151989.db2.gz VDXKSBZONOJZSA-UHFFFAOYSA-N 0 0 307.328 4.051 50 0 DIAARN Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 ZINC000000075068 180685179 /nfs/dbraw/zinc/68/51/79/180685179.db2.gz CNNVQSJKWGITOR-UHFFFAOYSA-N 0 0 316.813 4.380 50 0 aggregator DIAARN COc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1 ZINC000000079873 180686340 /nfs/dbraw/zinc/68/63/40/180686340.db2.gz QGXOVVRJEQEVEJ-QGZVFWFLSA-N 0 0 303.361 4.323 50 0 DIAARN COC(=O)c1c(C)oc2ccc(OCc3ccccc3C)cc21 ZINC000000083688 180686987 /nfs/dbraw/zinc/68/69/87/180686987.db2.gz HVVGEFXYWSLWBY-UHFFFAOYSA-N 0 0 310.349 4.415 50 0 DIAARN Cc1nccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000000096439 180691008 /nfs/dbraw/zinc/69/10/08/180691008.db2.gz DNUZUCXKTAOEPN-UHFFFAOYSA-N 0 0 323.783 4.358 50 0 DIAARN O=C(NCc1ccccc1Cl)c1cc(F)c(F)cc1Cl ZINC000000107317 180695829 /nfs/dbraw/zinc/69/58/29/180695829.db2.gz MLMQNVHAOXMPRX-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN CC(C)(C)C(=O)OCc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000000114036 180697179 /nfs/dbraw/zinc/69/71/79/180697179.db2.gz YDYAUSDWIRKVNS-UHFFFAOYSA-N 0 0 311.353 4.178 50 0 DIAARN Cc1ccc(NC(=O)c2cccc(Oc3nccc(C)n3)c2)cc1 ZINC000072437370 191165465 /nfs/dbraw/zinc/16/54/65/191165465.db2.gz IRFBJYXHCGWFHE-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 ZINC000072437666 191166029 /nfs/dbraw/zinc/16/60/29/191166029.db2.gz JASICONQEVOGSV-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN CC(C)c1cc(N[C@@H](c2cccnc2)C(C)C)n2nccc2n1 ZINC000072430501 191163384 /nfs/dbraw/zinc/16/33/84/191163384.db2.gz PATVTCBWNQTXTF-GOSISDBHSA-N 0 0 309.417 4.057 50 0 DIAARN Fc1cccc(Cl)c1CSC(=S)N1CCSCC1 ZINC000000140419 180705977 /nfs/dbraw/zinc/70/59/77/180705977.db2.gz IIJHWKPYRHQMRI-UHFFFAOYSA-N 0 0 321.895 4.046 50 0 DIAARN CNc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000000144228 180706982 /nfs/dbraw/zinc/70/69/82/180706982.db2.gz RGOKGZCGPOFYFI-WCQYABFASA-N 0 0 308.853 4.326 50 0 DIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000000129807 180702692 /nfs/dbraw/zinc/70/26/92/180702692.db2.gz DEPHNPPMZIRNBU-UONOGXRCSA-N 0 0 317.816 4.293 50 0 DIAARN C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1 ZINC000072454241 191171476 /nfs/dbraw/zinc/17/14/76/191171476.db2.gz OQDPSEVZWFMGCM-OAHLLOKOSA-N 0 0 315.457 4.009 50 0 DIAARN CC(C)=CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000145689 180707821 /nfs/dbraw/zinc/70/78/21/180707821.db2.gz DTBUSQPPQOOWDD-UHFFFAOYSA-N 0 0 313.784 4.476 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)c(OC)c1 ZINC000000147326 180708143 /nfs/dbraw/zinc/70/81/43/180708143.db2.gz FYLYMXIHBXDKRV-VQHVLOKHSA-N 0 0 317.772 4.009 50 0 DIAARN CCn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O ZINC000000149247 180709043 /nfs/dbraw/zinc/70/90/43/180709043.db2.gz FIQQPWNZJGSAHV-UHFFFAOYSA-N 0 0 304.802 4.107 50 0 DIAARN S=c1[nH]nc(-c2cccc3ccccc32)n1Cc1ccco1 ZINC000000158405 180711736 /nfs/dbraw/zinc/71/17/36/180711736.db2.gz DZJWQPXUCPWEBC-UHFFFAOYSA-N 0 0 307.378 4.402 50 0 DIAARN O=C(Nc1cccc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000000162335 180712052 /nfs/dbraw/zinc/71/20/52/180712052.db2.gz SQDHMBNCPFNXSY-UHFFFAOYSA-N 0 0 304.271 4.439 50 0 DIAARN Cc1cc(C(F)(F)F)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000000208554 180726177 /nfs/dbraw/zinc/72/61/77/180726177.db2.gz OEJZTTSXHHWQDO-UHFFFAOYSA-N 0 0 311.694 4.377 50 0 DIAARN COc1ccc(-c2csc(NCc3ccco3)n2)cc1OC ZINC000000190327 180720613 /nfs/dbraw/zinc/72/06/13/180720613.db2.gz KYPSOFNVZMLBSC-UHFFFAOYSA-N 0 0 316.382 4.032 50 0 DIAARN Cc1nc(Cl)c(C(=O)N(C)Cc2ccccc2)c(C)c1Cl ZINC000000269528 180743706 /nfs/dbraw/zinc/74/37/06/180743706.db2.gz JYEMOUGYLAFXEL-UHFFFAOYSA-N 0 0 323.223 4.277 50 0 DIAARN CCOC(=O)c1c(C)c(C)n(CCc2c[nH]c3ccccc23)c1C ZINC000000221485 180730539 /nfs/dbraw/zinc/73/05/39/180730539.db2.gz MSCDVUKYUKXGKK-UHFFFAOYSA-N 0 0 324.424 4.314 50 0 biogenic DIAARN CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000000291008 180749461 /nfs/dbraw/zinc/74/94/61/180749461.db2.gz RHGZQBLFVXMWLY-UHFFFAOYSA-N 0 0 321.376 4.499 50 0 DIAARN CCN(C(=O)c1ccccc1Br)c1ccccc1 ZINC000000292001 180749869 /nfs/dbraw/zinc/74/98/69/180749869.db2.gz FWYAXCBWHIURMN-UHFFFAOYSA-N 0 0 304.187 4.116 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000293208 180750450 /nfs/dbraw/zinc/75/04/50/180750450.db2.gz QXINMQAWNKZCTR-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN COc1ccc2c(c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000271626 180744228 /nfs/dbraw/zinc/74/42/28/180744228.db2.gz JZRSBOQDYDZQKK-HXUWFJFHSA-N 0 0 307.393 4.225 50 0 DIAARN Cc1cccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000000285360 180748011 /nfs/dbraw/zinc/74/80/11/180748011.db2.gz ISQWFOHRMZOIGC-UHFFFAOYSA-N 0 0 316.356 4.445 50 0 DIAARN CC[C@H](c1nc(-c2ccc(OC)c(OC)c2)no1)c1ccccc1 ZINC000000310948 180755245 /nfs/dbraw/zinc/75/52/45/180755245.db2.gz PEHIBXOHTWHKQR-HNNXBMFYSA-N 0 0 324.380 4.296 50 0 DIAARN CC(=O)c1c(C)n(-c2ccc3ncccc3c2)c(C)c1C(C)=O ZINC000000313037 180756824 /nfs/dbraw/zinc/75/68/24/180756824.db2.gz GLDLPAALHSAAPR-UHFFFAOYSA-N 0 0 306.365 4.048 50 0 DIAARN COc1ccc(CNC(=S)Nc2ccc(Cl)cc2C)cc1 ZINC000000305970 180753517 /nfs/dbraw/zinc/75/35/17/180753517.db2.gz XSWMAKHGBJHADN-UHFFFAOYSA-N 0 0 320.845 4.144 50 0 DIAARN CCOc1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000307410 180754362 /nfs/dbraw/zinc/75/43/62/180754362.db2.gz MIIMPNKBFFPYLN-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN C[C@@H](NC(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000000306657 180754523 /nfs/dbraw/zinc/75/45/23/180754523.db2.gz LWIDJBPCQANYDT-LLVKDONJSA-N 0 0 310.235 4.207 50 0 DIAARN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000000309408 180754779 /nfs/dbraw/zinc/75/47/79/180754779.db2.gz BYXMQIIKWKVRSI-UHFFFAOYSA-N 0 0 314.143 4.393 50 0 DIAARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCc1ccco1 ZINC000000309057 180755037 /nfs/dbraw/zinc/75/50/37/180755037.db2.gz LDHGXSLOVABMIU-JLHYYAGUSA-N 0 0 303.361 4.276 50 0 DIAARN Cc1cc(NC(=O)c2ccccc2C)ccc1Br ZINC000000345103 180762660 /nfs/dbraw/zinc/76/26/60/180762660.db2.gz KADIIRZUZUETAE-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN Cc1ccc(NC(=O)NC2CCCCC2)c(Br)c1 ZINC000000369819 180769179 /nfs/dbraw/zinc/76/91/79/180769179.db2.gz HVXUVLFUNZOIOI-UHFFFAOYSA-N 0 0 311.223 4.212 50 0 DIAARN O=C(Nc1ccccc1Cl)c1nc(Cl)ccc1Cl ZINC000000406353 180778151 /nfs/dbraw/zinc/77/81/51/180778151.db2.gz OAWVXBCUXLWHAX-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)OCc1ccc2c(c1)OCO2 ZINC000000395238 180776612 /nfs/dbraw/zinc/77/66/12/180776612.db2.gz OJHYVBPUTBOBMK-UHFFFAOYSA-N 0 0 319.744 4.126 50 0 DIAARN COc1ccc2nc3oc(C(=O)NC4CCCCC4)cc3cc2c1 ZINC000000429089 180787684 /nfs/dbraw/zinc/78/76/84/180787684.db2.gz PSIWUCLCRSROPX-UHFFFAOYSA-N 0 0 324.380 4.052 50 0 DIAARN Cc1ccc(CSc2nnc(C3CCCCC3)n2C)cc1 ZINC000000422272 180784477 /nfs/dbraw/zinc/78/44/77/180784477.db2.gz ARIRKQATFICMBJ-UHFFFAOYSA-N 0 0 301.459 4.464 50 0 DIAARN O=C1CS[C@@H](c2ccccc2C(F)(F)F)N1c1ccccc1 ZINC000000423971 180785079 /nfs/dbraw/zinc/78/50/79/180785079.db2.gz OFILVTOZMOYNDG-HNNXBMFYSA-N 0 0 323.339 4.484 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000000423869 180785272 /nfs/dbraw/zinc/78/52/72/180785272.db2.gz PRTPYLBQBHROBG-KRWDZBQOSA-N 0 0 319.376 4.360 50 0 DIAARN Cc1ccc(NC(=O)COc2c(C)cccc2C)cc1Cl ZINC000000458808 180797479 /nfs/dbraw/zinc/79/74/79/180797479.db2.gz COGZXMBQQXMNMR-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN COc1cccc(-c2cnc(CNc3cccc(C(C)=O)c3)o2)c1 ZINC000072910895 191250923 /nfs/dbraw/zinc/25/09/23/191250923.db2.gz PIUHXZFKJAUOJH-UHFFFAOYSA-N 0 0 322.364 4.165 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000442553 180792482 /nfs/dbraw/zinc/79/24/82/180792482.db2.gz KPSYYPUOMXBWQC-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN CCOc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000000443787 180792884 /nfs/dbraw/zinc/79/28/84/180792884.db2.gz ZWVMGWSBVIIYEN-ZDUSSCGKSA-N 0 0 301.411 4.205 50 0 DIAARN Cc1ccccc1-c1noc([C@@H](C)Oc2cccc(F)c2F)n1 ZINC000072920427 191251617 /nfs/dbraw/zinc/25/16/17/191251617.db2.gz HUPSQLOTJDUHSB-LLVKDONJSA-N 0 0 316.307 4.463 50 0 DIAARN COc1ccccc1NC(=O)c1ccc2c3c(cccc31)CC2 ZINC000000445477 180793483 /nfs/dbraw/zinc/79/34/83/180793483.db2.gz OCXRPYVXLTUWRY-UHFFFAOYSA-N 0 0 303.361 4.199 50 0 DIAARN c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCCCCC1 ZINC000000447333 180793521 /nfs/dbraw/zinc/79/35/21/180793521.db2.gz YVKYTTQUAYMNOQ-UHFFFAOYSA-N 0 0 304.397 4.072 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C)ccc2O)cc1 ZINC000000469904 180800910 /nfs/dbraw/zinc/80/09/10/180800910.db2.gz WAUMFEDCHJYYEV-CQSZACIVSA-N 0 0 313.397 4.232 50 0 DIAARN CCOc1ccc([C@H](C)NC(=O)[C@H](C)Cc2ccccc2)cc1 ZINC000000451241 180795291 /nfs/dbraw/zinc/79/52/91/180795291.db2.gz VHEYCWSZIUGSIR-CVEARBPZSA-N 0 0 311.425 4.141 50 0 DIAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc2ccccc21 ZINC000000452234 180795624 /nfs/dbraw/zinc/79/56/24/180795624.db2.gz NRVGQCBSLXSKSI-UHFFFAOYSA-N 0 0 320.417 4.275 50 0 DIAARN COc1cc(C=O)cc(Cl)c1OCc1ccccc1Cl ZINC000000454236 180795811 /nfs/dbraw/zinc/79/58/11/180795811.db2.gz RCEISSJAGSJNGG-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nccs1 ZINC000000454709 180796032 /nfs/dbraw/zinc/79/60/32/180796032.db2.gz CVAPVRMPUGXYRH-UHFFFAOYSA-N 0 0 316.426 4.208 50 0 DIAARN CC(=O)c1cccc(NC(=O)C=Cc2c(F)cccc2Cl)c1 ZINC000000473694 180802232 /nfs/dbraw/zinc/80/22/32/180802232.db2.gz GITDFYROBCOSBD-CMDGGOBGSA-N 0 0 317.747 4.334 50 0 DIAARN Cc1cc(NC(=O)[C@@H](C)c2ccccc2)ccc1Br ZINC000000474666 180802765 /nfs/dbraw/zinc/80/27/65/180802765.db2.gz JUTAXMOLUZWOHE-LBPRGKRZSA-N 0 0 318.214 4.500 50 0 DIAARN COc1ccc(CCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000000476245 180803220 /nfs/dbraw/zinc/80/32/20/180803220.db2.gz MLKZZLWMOOVQFZ-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 ZINC000000484282 180805167 /nfs/dbraw/zinc/80/51/67/180805167.db2.gz ADTRHLSWUZXDRI-SNVBAGLBSA-N 0 0 323.458 4.034 50 0 DIAARN Cc1ccc(NC(=O)Cc2ccccc2F)c(Br)c1 ZINC000000483846 180805323 /nfs/dbraw/zinc/80/53/23/180805323.db2.gz CIJSUGJPSKMYBO-UHFFFAOYSA-N 0 0 322.177 4.078 50 0 DIAARN CCc1cc2c(C)cc(=O)oc2cc1OCc1ccccc1OC ZINC000000488587 180806159 /nfs/dbraw/zinc/80/61/59/180806159.db2.gz BUZOZHQHMZSLJR-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccco1 ZINC000000489347 180806550 /nfs/dbraw/zinc/80/65/50/180806550.db2.gz HTHAQUXWPAMGNA-IBGZPJMESA-N 0 0 321.461 4.250 50 0 DIAARN CSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1 ZINC000000510470 180810199 /nfs/dbraw/zinc/81/01/99/180810199.db2.gz YJSRNTDUGXDIBX-UHFFFAOYSA-N 0 0 302.786 4.100 50 0 DIAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000000550743 180819898 /nfs/dbraw/zinc/81/98/98/180819898.db2.gz ARBYJWIZNXNAEM-AWEZNQCLSA-N 0 0 302.761 4.021 50 0 DIAARN CCOc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000000611155 180827969 /nfs/dbraw/zinc/82/79/69/180827969.db2.gz CWEWQEWTHPLGFN-UHFFFAOYSA-N 0 0 318.804 4.103 50 0 DIAARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000000612523 180828255 /nfs/dbraw/zinc/82/82/55/180828255.db2.gz LRLOJPFTHBSIPG-KRWDZBQOSA-N 0 0 312.800 4.428 50 0 DIAARN COc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000000563624 180822217 /nfs/dbraw/zinc/82/22/17/180822217.db2.gz XQHBIYUMQXIULC-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000000570303 180823987 /nfs/dbraw/zinc/82/39/87/180823987.db2.gz UUXQJKFVQAVBNS-UHFFFAOYSA-N 0 0 300.789 4.193 50 0 DIAARN CC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12 ZINC000000807250 180834362 /nfs/dbraw/zinc/83/43/62/180834362.db2.gz XUNIHZROODALPM-UHFFFAOYSA-N 0 0 320.392 4.099 50 0 DIAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000001062717 180844595 /nfs/dbraw/zinc/84/45/95/180844595.db2.gz XMCCNZRAGIPSGZ-FQEVSTJZSA-N 0 0 316.404 4.042 50 0 DIAARN CC(C)(C)CC(C)(C)NC(=O)c1ccccc1Br ZINC000001020850 180841590 /nfs/dbraw/zinc/84/15/90/180841590.db2.gz DDDRVGVYZGDDCJ-UHFFFAOYSA-N 0 0 312.251 4.394 50 0 DIAARN CCOc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1 ZINC000001017209 180841724 /nfs/dbraw/zinc/84/17/24/180841724.db2.gz FSTVWJNEDMCQQS-UHFFFAOYSA-N 0 0 308.333 4.163 50 0 DIAARN Cc1cccc(-c2nnc3sc(-c4ccc(C)cc4C)nn32)c1 ZINC000001018211 180841758 /nfs/dbraw/zinc/84/17/58/180841758.db2.gz DTAYVJBVVLCAEH-UHFFFAOYSA-N 0 0 320.421 4.445 50 0 DIAARN O[C@]1(c2ccccc2)C[C@H](c2ccccc2)Oc2ccccc21 ZINC000001023940 180841762 /nfs/dbraw/zinc/84/17/62/180841762.db2.gz VBRFJCHHHLDPTG-RTWAWAEBSA-N 0 0 302.373 4.446 50 0 DIAARN CCOC(=O)c1cccc(NC(=O)c2oc3ccccc3c2C)c1 ZINC000001056219 180843883 /nfs/dbraw/zinc/84/38/83/180843883.db2.gz SUMQEPHGGONWSG-UHFFFAOYSA-N 0 0 323.348 4.170 50 0 DIAARN COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O ZINC000001070218 180845300 /nfs/dbraw/zinc/84/53/00/180845300.db2.gz SQVFNNNOBSYIMJ-NHCUHLMSSA-N 0 0 324.420 4.457 50 0 DIAARN Fc1ccc(-c2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000001094922 180846703 /nfs/dbraw/zinc/84/67/03/180846703.db2.gz YCAZIMJXFFSJNQ-UHFFFAOYSA-N 0 0 307.372 4.426 50 0 DIAARN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1Cl ZINC000001185363 180848457 /nfs/dbraw/zinc/84/84/57/180848457.db2.gz QVUCCIDOIVHQSN-UHFFFAOYSA-N 0 0 317.772 4.194 50 0 DIAARN CCOc1ccc([C@@H](O)c2nc3ccccc3n2C(C)C)cc1 ZINC000001221240 180849902 /nfs/dbraw/zinc/84/99/02/180849902.db2.gz IIXFEYSWDBQLCV-GOSISDBHSA-N 0 0 310.397 4.098 50 0 DIAARN COC(=O)[C@@H](CC(=O)c1cccc(C)c1)c1ccc(Cl)cc1 ZINC000001397635 180860714 /nfs/dbraw/zinc/86/07/14/180860714.db2.gz BXAROCWNZVLMQX-INIZCTEOSA-N 0 0 316.784 4.178 50 0 DIAARN CCOC(=O)c1sc(-c2ccccc2)nc1C(F)(F)F ZINC000001397263 180860533 /nfs/dbraw/zinc/86/05/33/180860533.db2.gz REXPFHVYNJGBAB-UHFFFAOYSA-N 0 0 301.289 4.006 50 0 DIAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000001513921 180871015 /nfs/dbraw/zinc/87/10/15/180871015.db2.gz USCDYTZKVPCGIQ-SECBINFHSA-N 0 0 306.818 4.174 50 0 DIAARN O=C(Cc1ccccc1)c1ccccc1NC(=O)c1cccs1 ZINC000001425359 180865182 /nfs/dbraw/zinc/86/51/82/180865182.db2.gz MPAZEAQIZDJMTR-UHFFFAOYSA-N 0 0 321.401 4.426 50 0 DIAARN CCc1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 ZINC000001778181 180896143 /nfs/dbraw/zinc/89/61/43/180896143.db2.gz PVNYOJJMFRKVSF-UHFFFAOYSA-N 0 0 313.397 4.055 50 0 DIAARN O=C(NCCCCc1ccccc1)Nc1cccc(Cl)c1 ZINC000001847926 180898410 /nfs/dbraw/zinc/89/84/10/180898410.db2.gz QRDSBYSZCZXJQX-UHFFFAOYSA-N 0 0 302.805 4.484 50 0 DIAARN CCn1c2ccccc2nc1SCCOc1ccccc1F ZINC000002088817 180909565 /nfs/dbraw/zinc/90/95/65/180909565.db2.gz IVVZSVKCBFYODY-UHFFFAOYSA-N 0 0 316.401 4.366 50 0 DIAARN Cc1ccc(OCCCC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000001913980 180902060 /nfs/dbraw/zinc/90/20/60/180902060.db2.gz PUPZSNRAIBIOGX-UHFFFAOYSA-N 0 0 301.361 4.240 50 0 DIAARN CCCCSc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC000002179061 180913937 /nfs/dbraw/zinc/91/39/37/180913937.db2.gz MXBXVGFHVKEGBM-UHFFFAOYSA-N 0 0 322.499 4.249 50 0 DIAARN CC(C)c1nnc2sc(Cc3cccc4ccccc43)nn21 ZINC000002219558 180915826 /nfs/dbraw/zinc/91/58/26/180915826.db2.gz MCWYCPVQNQOCNN-UHFFFAOYSA-N 0 0 308.410 4.053 50 0 DIAARN CCCCOC(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002141083 180912156 /nfs/dbraw/zinc/91/21/56/180912156.db2.gz HZJMPECLHCVOLG-UHFFFAOYSA-N 0 0 319.188 4.394 50 0 DIAARN Cc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000002432176 180923823 /nfs/dbraw/zinc/92/38/23/180923823.db2.gz SWHWUIHALXSWLJ-UHFFFAOYSA-N 0 0 312.800 4.102 50 0 biogenic DIAARN CCOC(=O)CCCCCCC(=O)c1cc(C)c(OC)c(C)c1 ZINC000002378866 180921848 /nfs/dbraw/zinc/92/18/48/180921848.db2.gz UJOSYQOVJSWRAZ-UHFFFAOYSA-N 0 0 320.429 4.398 50 0 DIAARN Nc1cc(-c2ccccc2Cl)nn1-c1cccc(Cl)c1 ZINC000002532587 180932398 /nfs/dbraw/zinc/93/23/98/180932398.db2.gz AOEQKVLRWSDPNQ-UHFFFAOYSA-N 0 0 304.180 4.428 50 0 DIAARN CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000002573382 180936172 /nfs/dbraw/zinc/93/61/72/180936172.db2.gz BHJVKDVTAPXZBW-UHFFFAOYSA-N 0 0 301.802 4.310 50 0 DIAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)CCC ZINC000002601755 180938791 /nfs/dbraw/zinc/93/87/91/180938791.db2.gz RQFWZPXEUTYUFZ-CQSZACIVSA-N 0 0 301.434 4.204 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc2ncccc21 ZINC000002647356 180943610 /nfs/dbraw/zinc/94/36/10/180943610.db2.gz LXIRRHGVORBCBM-UHFFFAOYSA-N 0 0 314.747 4.209 50 0 DIAARN Cc1cccc2sc(NC(=O)Cc3c[nH]c4ccccc34)nc21 ZINC000002651571 180944254 /nfs/dbraw/zinc/94/42/54/180944254.db2.gz RPNOVESNYZCHEF-UHFFFAOYSA-N 0 0 321.405 4.267 50 0 DIAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccccc1F ZINC000002634107 180941738 /nfs/dbraw/zinc/94/17/38/180941738.db2.gz RYBYPSYVROJZRK-UHFFFAOYSA-N 0 0 304.371 4.263 50 0 DIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cl)cc1 ZINC000002747224 180951734 /nfs/dbraw/zinc/95/17/34/180951734.db2.gz YQVKXXRMOPSFKZ-UHFFFAOYSA-N 0 0 323.801 4.057 50 0 DIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C)(C)C ZINC000002748362 180951758 /nfs/dbraw/zinc/95/17/58/180951758.db2.gz KKXGXHWAOGZSHC-UHFFFAOYSA-N 0 0 317.410 4.186 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1 ZINC000002753314 180952363 /nfs/dbraw/zinc/95/23/63/180952363.db2.gz QZNKPNXKCDTODN-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000002737544 180950692 /nfs/dbraw/zinc/95/06/92/180950692.db2.gz FEQBJIFBTZDROW-UONOGXRCSA-N 0 0 320.219 4.413 50 0 DIAARN O=C(Nc1ccon1)c1sc2cc(Cl)ccc2c1Cl ZINC000002764012 180953493 /nfs/dbraw/zinc/95/34/93/180953493.db2.gz RAZKUFJAHONKOA-UHFFFAOYSA-N 0 0 313.165 4.448 50 0 DIAARN COc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000002763614 180953648 /nfs/dbraw/zinc/95/36/48/180953648.db2.gz FHQSGAOWSRGQMF-INIZCTEOSA-N 0 0 311.425 4.122 50 0 DIAARN COc1c(Cl)cc(C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000002853374 180963301 /nfs/dbraw/zinc/96/33/01/180963301.db2.gz COIPVYUCWSXCBU-UHFFFAOYSA-N 0 0 324.207 4.240 50 0 DIAARN CCc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000002928336 180970788 /nfs/dbraw/zinc/97/07/88/180970788.db2.gz CRYVBKCQYZODAA-UHFFFAOYSA-N 0 0 304.393 4.221 50 0 aggregator DIAARN CCCCC1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000002866563 180965186 /nfs/dbraw/zinc/96/51/86/180965186.db2.gz GICAZEPGJZQWDL-UHFFFAOYSA-N 0 0 303.446 4.308 50 0 DIAARN COc1ccccc1OCCCOc1c(C)cc(C)cc1C ZINC000002904420 180968991 /nfs/dbraw/zinc/96/89/91/180968991.db2.gz IAURSFUOJYGEAK-UHFFFAOYSA-N 0 0 300.398 4.468 50 0 DIAARN CN(C)c1ccc(NC(=O)Cc2ccccc2)c2ccccc21 ZINC000002978319 180973568 /nfs/dbraw/zinc/97/35/68/180973568.db2.gz GZFKDIVFUIWLBN-UHFFFAOYSA-N 0 0 304.393 4.087 50 0 DIAARN CC(C)CCC[C@@H](C)NC(=O)c1ccccc1Br ZINC000002989466 180974614 /nfs/dbraw/zinc/97/46/14/180974614.db2.gz JINJULVHTZAPHG-GFCCVEGCSA-N 0 0 312.251 4.394 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)(C)C)CCCC2 ZINC000003136087 180985026 /nfs/dbraw/zinc/98/50/26/180985026.db2.gz COEATCDIGHVOAF-UHFFFAOYSA-N 0 0 323.458 4.178 50 0 DIAARN CC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000003100482 180981402 /nfs/dbraw/zinc/98/14/02/180981402.db2.gz VKXHPIKSXIBRCK-JTQLQIEISA-N 0 0 304.217 4.067 50 0 DIAARN CSCc1cc(NCc2ccccc2)nc(-c2ccncc2)n1 ZINC000003105295 180981620 /nfs/dbraw/zinc/98/16/20/180981620.db2.gz YQCZBQZQGNTQMN-UHFFFAOYSA-N 0 0 322.437 4.014 50 0 DIAARN CCC(C(=O)Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000003124612 180983707 /nfs/dbraw/zinc/98/37/07/180983707.db2.gz GZYRMPYGOJTKCP-UHFFFAOYSA-N 0 0 313.241 4.455 50 0 DIAARN CO[C@](C)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000003132712 180984137 /nfs/dbraw/zinc/98/41/37/180984137.db2.gz XEYOACHKIZTLLB-OAQYLSRUSA-N 0 0 318.416 4.484 50 0 DIAARN Cc1ccccc1Nc1nnc(SCC(=O)C(C)(C)C)s1 ZINC000003222363 180992697 /nfs/dbraw/zinc/99/26/97/180992697.db2.gz VAUDYMDJVRSGHY-UHFFFAOYSA-N 0 0 321.471 4.297 50 0 DIAARN COc1ccccc1NC(=S)Nc1cccc2c1CCCC2 ZINC000003231624 180993944 /nfs/dbraw/zinc/99/39/44/180993944.db2.gz SRJWXBPRXUQGGR-UHFFFAOYSA-N 0 0 312.438 4.383 50 0 DIAARN Fc1ccc(NC(=S)N2CCCCCCC2)cc1Cl ZINC000003255470 180996737 /nfs/dbraw/zinc/99/67/37/180996737.db2.gz YPDYIPOPPGSTLW-UHFFFAOYSA-N 0 0 300.830 4.442 50 0 DIAARN COc1ccc(OC)c(NC(=S)Nc2cc(C)ccc2C)c1 ZINC000003255082 180996866 /nfs/dbraw/zinc/99/68/66/180996866.db2.gz RJDABMWSIFSZEX-UHFFFAOYSA-N 0 0 316.426 4.130 50 0 DIAARN Cc1nc2ccccc2nc1CSc1nc2ccccc2o1 ZINC000003324660 181005397 /nfs/dbraw/zinc/00/53/97/181005397.db2.gz FZXXPQJVQKVMLM-UHFFFAOYSA-N 0 0 307.378 4.372 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)CN1c2ccccc2C[C@@H]1C ZINC000003327563 181006004 /nfs/dbraw/zinc/00/60/04/181006004.db2.gz DBFUDIISNJBBNV-ZDUSSCGKSA-N 0 0 304.393 4.110 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)CSC(=O)c1ccccc1 ZINC000003275394 180999440 /nfs/dbraw/zinc/99/94/40/180999440.db2.gz AGYBXEFZHJDABK-UHFFFAOYSA-N 0 0 319.813 4.161 50 0 DIAARN CCc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000003283379 181000413 /nfs/dbraw/zinc/00/04/13/181000413.db2.gz RIIWFPGHCPKFBD-LFIBNONCSA-N 0 0 311.768 4.247 50 0 DIAARN CC(C)(C)C1CCC(OC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000003287622 181000873 /nfs/dbraw/zinc/00/08/73/181000873.db2.gz AWUGRWARLJMNPS-UHFFFAOYSA-N 0 0 304.386 4.177 50 0 DIAARN COc1ccc(-c2nnc(SCC(C)C)n2C(C)C)cc1 ZINC000003328763 181006207 /nfs/dbraw/zinc/00/62/07/181006207.db2.gz RDIALASRXMVMBM-UHFFFAOYSA-N 0 0 305.447 4.283 50 0 DIAARN O=C(NC(=S)Nc1ccccc1-c1ccccc1)C1CCCC1 ZINC000003329218 181006332 /nfs/dbraw/zinc/00/63/32/181006332.db2.gz IZPRPPHNDOYQNC-UHFFFAOYSA-N 0 0 324.449 4.357 50 0 DIAARN CCc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1 ZINC000003330414 181007042 /nfs/dbraw/zinc/00/70/42/181007042.db2.gz RKKJBXQTBOTAAP-AWEZNQCLSA-N 0 0 307.393 4.415 50 0 DIAARN O=C(N[C@H]1CCCc2ccccc21)c1c(F)cccc1Cl ZINC000003334582 181007715 /nfs/dbraw/zinc/00/77/15/181007715.db2.gz RMEGRDJVZXCZQP-HNNXBMFYSA-N 0 0 303.764 4.287 50 0 DIAARN Cc1ccc(-c2cc(C)n3nc(-c4ccccc4)nc3n2)cc1 ZINC000003339689 181008166 /nfs/dbraw/zinc/00/81/66/181008166.db2.gz FZTYIMCBIKRPCN-UHFFFAOYSA-N 0 0 300.365 4.075 50 0 DIAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1cccnc1Cl ZINC000003341384 181008293 /nfs/dbraw/zinc/00/82/93/181008293.db2.gz RLTKUAHANJNIMV-UHFFFAOYSA-N 0 0 316.571 4.399 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)c1ccc(CSC)cc1 ZINC000003341558 181008708 /nfs/dbraw/zinc/00/87/08/181008708.db2.gz TVUWPPTYKCGKPM-UHFFFAOYSA-N 0 0 321.829 4.464 50 0 DIAARN CC(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003346011 181008847 /nfs/dbraw/zinc/00/88/47/181008847.db2.gz WBQFXQNEMVFSTP-UHFFFAOYSA-N 0 0 323.270 4.040 50 0 DIAARN CC(C)(C)C(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000003343468 181009027 /nfs/dbraw/zinc/00/90/27/181009027.db2.gz NKUUBWKQZWXZPT-UHFFFAOYSA-N 0 0 312.365 4.251 50 0 DIAARN CC(C)(C)C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000003344111 181009051 /nfs/dbraw/zinc/00/90/51/181009051.db2.gz WLEUYHDBUJBCMM-FNORWQNLSA-N 0 0 315.196 4.165 50 0 DIAARN CCc1ccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000003347854 181009768 /nfs/dbraw/zinc/00/97/68/181009768.db2.gz SACIGAWNHNXIHS-GFCCVEGCSA-N 0 0 302.805 4.342 50 0 DIAARN Cc1nc2ccccc2nc1CSc1ncnc2sccc21 ZINC000003356747 181011034 /nfs/dbraw/zinc/01/10/34/181011034.db2.gz MYAJFTXIANUFLN-UHFFFAOYSA-N 0 0 324.434 4.235 50 0 DIAARN CCC(CC)NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000003453970 181022444 /nfs/dbraw/zinc/02/24/44/181022444.db2.gz LYVWYKYEGKMROJ-UHFFFAOYSA-N 0 0 320.483 4.207 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1cc(C)nc2ccccc21 ZINC000003403140 181015584 /nfs/dbraw/zinc/01/55/84/181015584.db2.gz NCHCPKFUGOZBPU-UHFFFAOYSA-N 0 0 306.365 4.113 50 0 DIAARN CCOC(=O)c1c(C)[nH]cc1Cc1cccc(C(F)(F)F)c1 ZINC000003407938 181015919 /nfs/dbraw/zinc/01/59/19/181015919.db2.gz XWWFHXGFEJTAEM-UHFFFAOYSA-N 0 0 311.303 4.109 50 0 DIAARN CCOc1ccc(NC(=O)c2ccc(CSC)cc2)cc1 ZINC000003407232 181015929 /nfs/dbraw/zinc/01/59/29/181015929.db2.gz ZOBSDPWWKAKTQD-UHFFFAOYSA-N 0 0 301.411 4.201 50 0 DIAARN Cc1cccc(OCCCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000003408817 181016234 /nfs/dbraw/zinc/01/62/34/181016234.db2.gz XXDOVULWJNTRLL-UHFFFAOYSA-N 0 0 301.361 4.240 50 0 DIAARN CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1F ZINC000003421739 181017393 /nfs/dbraw/zinc/01/73/93/181017393.db2.gz ODWDGFSQXALBDS-RYUDHWBXSA-N 0 0 321.421 4.113 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000003432702 181018860 /nfs/dbraw/zinc/01/88/60/181018860.db2.gz QWEALCXQPBSGTN-UHFFFAOYSA-N 0 0 318.142 4.041 50 0 DIAARN CCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000003430690 181018886 /nfs/dbraw/zinc/01/88/86/181018886.db2.gz XMEMZLCLVPTIKK-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN C[C@@H](NC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl ZINC000003438327 181019707 /nfs/dbraw/zinc/01/97/07/181019707.db2.gz PBYWZNYOJACPOH-SECBINFHSA-N 0 0 314.237 4.475 50 0 DIAARN Cc1sc2nc(CN3CCC(C)CC3)nc(Cl)c2c1C ZINC000003445969 181020765 /nfs/dbraw/zinc/02/07/65/181020765.db2.gz RJVGAHBYZTUEIS-UHFFFAOYSA-N 0 0 309.866 4.193 50 0 aggregator DIAARN O=C(/C=C/c1ccco1)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000003449511 181021642 /nfs/dbraw/zinc/02/16/42/181021642.db2.gz XYZMXRVINRLQQE-OUKQBFOZSA-N 0 0 318.328 4.129 50 0 DIAARN CCc1ccc2c(CC(=O)NCc3ccc(C)cc3)coc2c1 ZINC000003455883 181022019 /nfs/dbraw/zinc/02/20/19/181022019.db2.gz VMHYLDMRKBKAHP-UHFFFAOYSA-N 0 0 307.393 4.163 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003453994 181022051 /nfs/dbraw/zinc/02/20/51/181022051.db2.gz XBLPTDFCUCMOHR-UHFFFAOYSA-N 0 0 307.271 4.160 50 0 DIAARN CC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 ZINC000003528474 181030546 /nfs/dbraw/zinc/03/05/46/181030546.db2.gz TVYHETRRGSDWRX-UHFFFAOYSA-N 0 0 307.349 4.125 50 0 DIAARN Cc1ccc(SCC(=O)Nc2cccnc2Cl)cc1C ZINC000003456687 181022979 /nfs/dbraw/zinc/02/29/79/181022979.db2.gz UTNLXGFJRRZOAP-UHFFFAOYSA-N 0 0 306.818 4.083 50 0 DIAARN CC(=O)c1sc(Nc2ccccc2C(F)(F)F)nc1C ZINC000003458810 181023203 /nfs/dbraw/zinc/02/32/03/181023203.db2.gz PHDLTUQCUXQSHY-UHFFFAOYSA-N 0 0 300.305 4.417 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1OC ZINC000003483365 181025036 /nfs/dbraw/zinc/02/50/36/181025036.db2.gz HNQNMEXQENAJIT-ZHACJKMWSA-N 0 0 317.772 4.009 50 0 DIAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000003480106 181025235 /nfs/dbraw/zinc/02/52/35/181025235.db2.gz FZJMOVNGQJWXBE-NSHDSACASA-N 0 0 324.207 4.077 50 0 DIAARN CCc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000003495866 181026473 /nfs/dbraw/zinc/02/64/73/181026473.db2.gz KIRCBOQOKRONSX-UHFFFAOYSA-N 0 0 323.314 4.285 50 0 DIAARN Cc1ccc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003494306 181026737 /nfs/dbraw/zinc/02/67/37/181026737.db2.gz OROGSOZTDAYVJV-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CC(=O)c1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 ZINC000003499309 181026957 /nfs/dbraw/zinc/02/69/57/181026957.db2.gz ZXEQZSUVVFJSJS-UHFFFAOYSA-N 0 0 313.422 4.237 50 0 DIAARN Cc1sc2ncnc(Oc3ccc(-n4ccnc4)cc3)c2c1C ZINC000003503699 181027243 /nfs/dbraw/zinc/02/72/43/181027243.db2.gz LAKNYTVOZFRDLQ-UHFFFAOYSA-N 0 0 322.393 4.286 50 0 DIAARN CN1c2ccccc2/C(=C/c2cccc(C(F)(F)F)c2)C1=O ZINC000003506253 181027488 /nfs/dbraw/zinc/02/74/88/181027488.db2.gz KKHXHQVHWYRZAM-UVTDQMKNSA-N 0 0 303.283 4.222 50 0 DIAARN O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)CCC2 ZINC000003523437 181029812 /nfs/dbraw/zinc/02/98/12/181029812.db2.gz GRNFWBJXOOSLJG-UHFFFAOYSA-N 0 0 324.405 4.047 50 0 DIAARN CSc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000003538412 181031591 /nfs/dbraw/zinc/03/15/91/181031591.db2.gz ZYJVMEWMCLOABO-UHFFFAOYSA-N 0 0 310.422 4.461 50 0 DIAARN Cc1cc(C)c(NC(=O)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000003547882 181033010 /nfs/dbraw/zinc/03/30/10/181033010.db2.gz KEEUFHAEHAGIJG-UHFFFAOYSA-N 0 0 305.324 4.466 50 0 DIAARN Cc1ccc(CNC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000003554550 181033731 /nfs/dbraw/zinc/03/37/31/181033731.db2.gz BPJSZVFXIULZQO-UHFFFAOYSA-N 0 0 324.449 4.244 50 0 DIAARN Cc1cc(C(=O)CCC(=O)Nc2ccc(F)cc2F)c(C)s1 ZINC000003554478 181033770 /nfs/dbraw/zinc/03/37/70/181033770.db2.gz OQDVMCCPFBFCFQ-UHFFFAOYSA-N 0 0 323.364 4.245 50 0 DIAARN Cc1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 ZINC000003555830 181034068 /nfs/dbraw/zinc/03/40/68/181034068.db2.gz IONUUZHXFKQYHC-UHFFFAOYSA-N 0 0 310.378 4.496 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)cc1C ZINC000003559277 181034315 /nfs/dbraw/zinc/03/43/15/181034315.db2.gz OCWWKJBSKAVEAD-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CCCCCc1nnc(NC(=O)c2cc3ccccc3o2)s1 ZINC000003557730 181034503 /nfs/dbraw/zinc/03/45/03/181034503.db2.gz GLUYWTBYDQQFEQ-UHFFFAOYSA-N 0 0 315.398 4.269 50 0 DIAARN Cc1cc(F)ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000003559046 181034722 /nfs/dbraw/zinc/03/47/22/181034722.db2.gz QLNGNFWWFILOMC-UHFFFAOYSA-N 0 0 309.340 4.305 50 0 DIAARN Cc1csc(NC(=O)CCSc2ccc(Cl)cc2)n1 ZINC000003562085 181035174 /nfs/dbraw/zinc/03/51/74/181035174.db2.gz ZJAVCSCLZYPDET-UHFFFAOYSA-N 0 0 312.847 4.226 50 0 DIAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)cc1F ZINC000003561569 181035259 /nfs/dbraw/zinc/03/52/59/181035259.db2.gz KPWILMYQZJRWDB-UHFFFAOYSA-N 0 0 316.134 4.453 50 0 DIAARN CCc1cccc(CC)c1NC(=O)COc1cc(C)ccc1C ZINC000003606976 181039301 /nfs/dbraw/zinc/03/93/01/181039301.db2.gz XKRQLSWEKCXLAT-UHFFFAOYSA-N 0 0 311.425 4.446 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000003566767 181035867 /nfs/dbraw/zinc/03/58/67/181035867.db2.gz CVABBRDDAONQAY-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)c1ccccc1 ZINC000003582766 181037515 /nfs/dbraw/zinc/03/75/15/181037515.db2.gz SODJDLVCCLVTAP-LLVKDONJSA-N 0 0 323.223 4.457 50 0 DIAARN O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 ZINC000003598181 181038531 /nfs/dbraw/zinc/03/85/31/181038531.db2.gz ZGIPZXMTYBLFKQ-UHFFFAOYSA-N 0 0 301.386 4.045 50 0 DIAARN COc1ccccc1NC(=O)CSc1ccc(C)cc1C ZINC000003605628 181039401 /nfs/dbraw/zinc/03/94/01/181039401.db2.gz GDRMXIYACZTPML-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN Cc1cccc(N[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c1 ZINC000003880777 181051540 /nfs/dbraw/zinc/05/15/40/181051540.db2.gz UIIJCPCYKKGOEX-NRFANRHFSA-N 0 0 315.372 4.479 50 0 DIAARN CCOC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000003879927 181051632 /nfs/dbraw/zinc/05/16/32/181051632.db2.gz WQZNHFNALZZQHB-UHFFFAOYSA-N 0 0 307.393 4.483 50 0 DIAARN O=C1Nc2ccccc2/C1=C/NCc1ccc(Cl)c(Cl)c1 ZINC000003877184 181051741 /nfs/dbraw/zinc/05/17/41/181051741.db2.gz SYMINNLSRLWBBP-XFXZXTDPSA-N 0 0 319.191 4.076 50 0 DIAARN Fc1cccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000003893371 181052731 /nfs/dbraw/zinc/05/27/31/181052731.db2.gz VPWYACNFNQXPME-MRXNPFEDSA-N 0 0 315.417 4.145 50 0 biogenic DIAARN O=c1oc2cc(OCc3ccccc3)ccc2c2c1CCCC2 ZINC000003892459 181052873 /nfs/dbraw/zinc/05/28/73/181052873.db2.gz RMBDGDFCQUTEBF-UHFFFAOYSA-N 0 0 306.361 4.251 50 0 biogenic DIAARN COc1ccc(/C=C2\N=C(/C=C/c3ccc(C)cc3)OC2=O)cc1 ZINC000003910651 181057347 /nfs/dbraw/zinc/05/73/47/181057347.db2.gz QIMOKOOVUUPDDC-KTYKIUSQSA-N 0 0 319.360 4.013 50 0 DIAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2)o1 ZINC000003896516 181053515 /nfs/dbraw/zinc/05/35/15/181053515.db2.gz XBJMCONQMIYJNC-UHFFFAOYSA-N 0 0 304.353 4.350 50 0 DIAARN CCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccccn21 ZINC000003906451 181055663 /nfs/dbraw/zinc/05/56/63/181055663.db2.gz VZSDNDPBCHXASM-UHFFFAOYSA-N 0 0 323.396 4.139 50 0 DIAARN COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1OC ZINC000003905829 181056006 /nfs/dbraw/zinc/05/60/06/181056006.db2.gz OVVDLNLXVMGBMW-RMKNXTFCSA-N 0 0 307.349 4.128 50 0 biogenic DIAARN CC(C)Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1 ZINC000003909081 181056368 /nfs/dbraw/zinc/05/63/68/181056368.db2.gz XFNNQNIYFAMORX-UHFFFAOYSA-N 0 0 313.184 4.432 50 0 DIAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908246 181056735 /nfs/dbraw/zinc/05/67/35/181056735.db2.gz KMHUYLNMCICYOK-LLVKDONJSA-N 0 0 304.777 4.010 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccco2)on1 ZINC000003908407 181056739 /nfs/dbraw/zinc/05/67/39/181056739.db2.gz FXRZKSCRXGWEBR-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN Cc1ccc(Nc2c(-c3ccc(Cl)cc3)[nH]c3ncnn32)cc1 ZINC000003909976 181057043 /nfs/dbraw/zinc/05/70/43/181057043.db2.gz NWQFASGPTZEFHQ-UHFFFAOYSA-N 0 0 323.787 4.430 50 0 DIAARN CC(C)[C@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 ZINC000004047238 181066510 /nfs/dbraw/zinc/06/65/10/181066510.db2.gz SFAMBPYBOIWAJU-QGZVFWFLSA-N 0 0 309.475 4.099 50 0 biogenic DIAARN CCC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O ZINC000004023091 181062775 /nfs/dbraw/zinc/06/27/75/181062775.db2.gz XPZHHBKQVGOLSX-JLTOFOAXSA-N 0 0 310.441 4.368 50 0 biogenic DIAARN Cc1cc2cc(CNC(=O)Nc3cccc(C)c3)ccc2n1C ZINC000004061608 181068077 /nfs/dbraw/zinc/06/80/77/181068077.db2.gz SKXJUTLQYXPXGT-UHFFFAOYSA-N 0 0 307.397 4.117 50 0 DIAARN O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1 ZINC000004063213 181068660 /nfs/dbraw/zinc/06/86/60/181068660.db2.gz KCEVOHXULJUIFT-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN Cc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 ZINC000004070827 181069521 /nfs/dbraw/zinc/06/95/21/181069521.db2.gz UTSHJSNVPDCZDH-UHFFFAOYSA-N 0 0 320.417 4.469 50 0 DIAARN CCSc1nnc(NC(=O)c2cccc3ccccc32)s1 ZINC000004072046 181069782 /nfs/dbraw/zinc/06/97/82/181069782.db2.gz SAPFPVGDYXMOAZ-UHFFFAOYSA-N 0 0 315.423 4.056 50 0 aggregator DIAARN Cc1nc2ccccn2c1-c1csc(Nc2cccc(O)c2)n1 ZINC000004125591 181076463 /nfs/dbraw/zinc/07/64/63/181076463.db2.gz NBYZOAUVROLNCA-UHFFFAOYSA-N 0 0 322.393 4.215 50 0 DIAARN CCCCSc1nnc(-c2c[nH]c3ccccc23)n1CC ZINC000004138495 181077824 /nfs/dbraw/zinc/07/78/24/181077824.db2.gz MEVOKEHFVZQUCE-UHFFFAOYSA-N 0 0 300.431 4.339 50 0 DIAARN CC(C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004148151 181079167 /nfs/dbraw/zinc/07/91/67/181079167.db2.gz YYKMFJNCGRXISJ-UHFFFAOYSA-N 0 0 322.364 4.280 50 0 DIAARN c1ccc(C(c2nc(-c3cccnc3)no2)c2ccccc2)cc1 ZINC000004165322 181080769 /nfs/dbraw/zinc/08/07/69/181080769.db2.gz STUKORAFQWNNRN-UHFFFAOYSA-N 0 0 313.360 4.312 50 0 DIAARN C(=C/c1nc2ccccc2c(N2CCCC2)n1)\c1ccccc1 ZINC000004188207 181083342 /nfs/dbraw/zinc/08/33/42/181083342.db2.gz LXCHXBMLVWLBGA-OUKQBFOZSA-N 0 0 301.393 4.400 50 0 DIAARN CCCCNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000004189714 181083425 /nfs/dbraw/zinc/08/34/25/181083425.db2.gz NJTPTVDFOFPBAI-UHFFFAOYSA-N 0 0 312.482 4.363 50 0 DIAARN CC(=O)N1N=C(c2ccc(OC(C)C)cc2)C[C@H]1c1ccccc1 ZINC000004247914 181087692 /nfs/dbraw/zinc/08/76/92/181087692.db2.gz QEOIKPRWUOURDP-FQEVSTJZSA-N 0 0 322.408 4.171 50 0 DIAARN O[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccncc1 ZINC000004247744 181088048 /nfs/dbraw/zinc/08/80/48/181088048.db2.gz JAYZZRNUIXTTLZ-FQEVSTJZSA-N 0 0 300.361 4.312 50 0 DIAARN CC(=O)Oc1cccc2ccc(/C=C/c3cccc(F)c3)nc21 ZINC000004303035 181095387 /nfs/dbraw/zinc/09/53/87/181095387.db2.gz MXAWIQWGKSSKMZ-CSKARUKUSA-N 0 0 307.324 4.470 50 0 DIAARN Cc1cc2ncn(C(=O)CCCOc3ccccc3)c2cc1C ZINC000004265367 181090062 /nfs/dbraw/zinc/09/00/62/181090062.db2.gz DHVNBAVEJTXAHF-UHFFFAOYSA-N 0 0 308.381 4.153 50 0 DIAARN CCc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 ZINC000004271864 181090656 /nfs/dbraw/zinc/09/06/56/181090656.db2.gz MGGFLXHEAGVYFL-UHFFFAOYSA-N 0 0 307.422 4.393 50 0 DIAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)N1CCCCCC1 ZINC000004279589 181091671 /nfs/dbraw/zinc/09/16/71/181091671.db2.gz GUVDGCIYXHVGHF-UHFFFAOYSA-N 0 0 323.392 4.292 50 0 DIAARN CCCCSc1sc(C(=O)OCC)c2c1C(=O)CCC2 ZINC000004284547 181092818 /nfs/dbraw/zinc/09/28/18/181092818.db2.gz HCROBYJGELKPTO-UHFFFAOYSA-N 0 0 312.456 4.336 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1cc(F)c(Cl)nc1Cl ZINC000004289429 181092882 /nfs/dbraw/zinc/09/28/82/181092882.db2.gz OJACDXTWGSRXKW-UHFFFAOYSA-N 0 0 319.550 4.433 50 0 DIAARN COc1ccccc1C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000004325368 181098113 /nfs/dbraw/zinc/09/81/13/181098113.db2.gz VDSDMAWXYKVLNF-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN Cc1ccc(C)c2sc(NC(=O)c3cccc(F)c3)nc21 ZINC000004330855 181098498 /nfs/dbraw/zinc/09/84/98/181098498.db2.gz XKSRQFVRRIVKFR-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN C/C=C/c1ccc(OCCn2cnc3ccccc32)c(OC)c1 ZINC000004335224 181099483 /nfs/dbraw/zinc/09/94/83/181099483.db2.gz GNHPUPJDWOASDP-ZZXKWVIFSA-N 0 0 308.381 4.157 50 0 biogenic DIAARN CCC(=O)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 ZINC000004340695 181099750 /nfs/dbraw/zinc/09/97/50/181099750.db2.gz KMLMVRFMGDEMDY-UHFFFAOYSA-N 0 0 308.333 4.084 50 0 DIAARN Cc1c2ccc(OC(=O)C(C)C)cc2oc(=O)c1-c1ccccc1 ZINC000004340124 181100342 /nfs/dbraw/zinc/10/03/42/181100342.db2.gz UZGLHPONTJAJIV-UHFFFAOYSA-N 0 0 322.360 4.330 50 0 biogenic DIAARN CCc1cccc2sc(NC(=O)c3cccc(OC)c3)nc21 ZINC000004348338 181101016 /nfs/dbraw/zinc/10/10/16/181101016.db2.gz PUZCXEKTXKKPJA-UHFFFAOYSA-N 0 0 312.394 4.120 50 0 DIAARN CCc1cccc2sc(NC(=O)c3c(F)cccc3F)nc21 ZINC000004348629 181101017 /nfs/dbraw/zinc/10/10/17/181101017.db2.gz SDIZRVCQQITSJJ-UHFFFAOYSA-N 0 0 318.348 4.389 50 0 DIAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2ccccc2O3)cc1 ZINC000004315942 181096491 /nfs/dbraw/zinc/09/64/91/181096491.db2.gz HBCPITKSYMHKJF-UHFFFAOYSA-N 0 0 322.389 4.137 50 0 DIAARN CCc1cccc(CC)c1NC(=O)c1cnccc1C(F)(F)F ZINC000004382951 181104098 /nfs/dbraw/zinc/10/40/98/181104098.db2.gz KPBWHWCWCVEBCR-UHFFFAOYSA-N 0 0 322.330 4.478 50 0 DIAARN O=C(NCCSCc1ccc(Cl)cc1)c1cccs1 ZINC000004390594 181106952 /nfs/dbraw/zinc/10/69/52/181106952.db2.gz FEILJKJZVYRZQM-UHFFFAOYSA-N 0 0 311.859 4.065 50 0 DIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000004401896 181107185 /nfs/dbraw/zinc/10/71/85/181107185.db2.gz GDHXZIQAOUBZCC-UHFFFAOYSA-N 0 0 316.404 4.034 50 0 in-vivo DIAARN O=C(Nc1ccc(O)c2ncccc12)C12CC3CC(CC(C3)C1)C2 ZINC000004538019 181121085 /nfs/dbraw/zinc/12/10/85/181121085.db2.gz GWYLANKVOBBILX-UHFFFAOYSA-N 0 0 322.408 4.095 50 0 DIAARN CCCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)cc1 ZINC000004539039 181121889 /nfs/dbraw/zinc/12/18/89/181121889.db2.gz KQUNMAORKQRHRL-HXUWFJFHSA-N 0 0 322.408 4.173 50 0 DIAARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc1 ZINC000004543292 181122612 /nfs/dbraw/zinc/12/26/12/181122612.db2.gz ZPLGHHKDFSJMIF-BZNIZROVSA-N 0 0 312.438 4.035 50 0 DIAARN Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)c(C)c1 ZINC000004479442 181112675 /nfs/dbraw/zinc/11/26/75/181112675.db2.gz JPBWQAPMBZQWIP-PKNBQFBNSA-N 0 0 319.364 4.005 50 0 DIAARN Cc1ccc(CCC(=O)Nc2ccc(C)cc2Br)o1 ZINC000004484419 181113579 /nfs/dbraw/zinc/11/35/79/181113579.db2.gz UBZVNXILWWDCGM-UHFFFAOYSA-N 0 0 322.202 4.230 50 0 DIAARN Cn1c2ccccc2n2cc(C34CC5CC(CC(C5)C3)C4)nc12 ZINC000004494613 181114982 /nfs/dbraw/zinc/11/49/82/181114982.db2.gz UOGGITVWYMOWQM-UHFFFAOYSA-N 0 0 305.425 4.294 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)CCCC3)C1(C)C ZINC000004511953 181118152 /nfs/dbraw/zinc/11/81/52/181118152.db2.gz HVYQPEABVVQOSH-BXUZGUMPSA-N 0 0 304.459 4.199 50 0 DIAARN Cc1cc(C)cc(CS(=O)(=O)Cc2cc(C)cc(C)c2)c1 ZINC000004566110 181125614 /nfs/dbraw/zinc/12/56/14/181125614.db2.gz ODDUETJWOKMBQY-UHFFFAOYSA-N 0 0 302.439 4.035 50 0 DIAARN CCSc1ccccc1C(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000004585703 181127476 /nfs/dbraw/zinc/12/74/76/181127476.db2.gz FCBAMEAJNYDEND-UHFFFAOYSA-N 0 0 320.439 4.018 50 0 DIAARN Cc1ccc(C2=N/C(=C\c3c(F)cccc3Cl)C(=O)O2)cc1 ZINC000004588580 181127991 /nfs/dbraw/zinc/12/79/91/181127991.db2.gz GOHXIGMYJPYDLG-DHDCSXOGSA-N 0 0 315.731 4.132 50 0 DIAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000004545454 181123127 /nfs/dbraw/zinc/12/31/27/181123127.db2.gz QACCXXVGDSLICR-OTYXRUKQSA-N 0 0 302.399 4.285 50 0 DIAARN CCCCc1ccc(NS(=O)(=O)c2ccccc2C)cc1 ZINC000004660759 181133297 /nfs/dbraw/zinc/13/32/97/181133297.db2.gz PSYSEMLHZHRHRD-UHFFFAOYSA-N 0 0 303.427 4.138 50 0 DIAARN Cn1ccnc1SC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004663860 181133590 /nfs/dbraw/zinc/13/35/90/181133590.db2.gz OMEDJQZFQJZMGX-UHFFFAOYSA-N 0 0 302.186 4.051 50 0 DIAARN Cc1ccc(NC(=O)COc2cccc3ccccc32)c(C)c1 ZINC000004666203 181134237 /nfs/dbraw/zinc/13/42/37/181134237.db2.gz KYDCHIVCYQHSQD-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN O=C(OC/C=C/c1ccccc1)c1cccc(Br)c1 ZINC000004666270 181134317 /nfs/dbraw/zinc/13/43/17/181134317.db2.gz KMANMVXNSJWTBO-VMPITWQZSA-N 0 0 317.182 4.319 50 0 DIAARN C[C@@H](c1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004616925 181129973 /nfs/dbraw/zinc/12/99/73/181129973.db2.gz PLRZHHZKCFGIJK-ZDUSSCGKSA-N 0 0 301.345 4.197 50 0 DIAARN Cc1ccccc1C(O)(c1ccccc1C)c1ccccc1N ZINC000004629083 181130759 /nfs/dbraw/zinc/13/07/59/181130759.db2.gz AESCBUTWJJXJGA-UHFFFAOYSA-N 0 0 303.405 4.170 50 0 DIAARN Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000004701899 181138899 /nfs/dbraw/zinc/13/88/99/181138899.db2.gz YIVNIAWNCLURRL-UHFFFAOYSA-N 0 0 305.830 4.057 50 0 DIAARN COc1ccc(-c2cn3cc(-c4ccccc4)nc3n2C)cc1 ZINC000004678386 181135109 /nfs/dbraw/zinc/13/51/09/181135109.db2.gz NZBYOUQKTQKTEL-UHFFFAOYSA-N 0 0 303.365 4.015 50 0 DIAARN COc1ccc(NC(=O)Cc2c(C)[nH]c3c2cc(C)cc3C)cc1 ZINC000004675430 181135355 /nfs/dbraw/zinc/13/53/55/181135355.db2.gz DVDUKVWDIJJRLD-UHFFFAOYSA-N 0 0 322.408 4.283 50 0 DIAARN CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000004679175 181136097 /nfs/dbraw/zinc/13/60/97/181136097.db2.gz GSILBSANXVWBMR-LYERLJAMSA-N 0 0 310.353 4.016 50 0 DIAARN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000004681374 181136153 /nfs/dbraw/zinc/13/61/53/181136153.db2.gz WMMPDNSCQZHQJG-ZDUSSCGKSA-N 0 0 317.816 4.375 50 0 DIAARN Cc1ccccc1Nc1nc(C(=O)N2CCC(C)CC2)cs1 ZINC000004688463 181136917 /nfs/dbraw/zinc/13/69/17/181136917.db2.gz AKKXAOYKJWXZJZ-UHFFFAOYSA-N 0 0 315.442 4.067 50 0 DIAARN CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O ZINC000004695291 181137521 /nfs/dbraw/zinc/13/75/21/181137521.db2.gz HZNHWVJZSAJNJS-FOWTUZBSSA-N 0 0 309.390 4.410 50 0 DIAARN CC(C)N1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O ZINC000004694875 181137541 /nfs/dbraw/zinc/13/75/41/181137541.db2.gz ZVGMOMHZGIQEJB-YRNVUSSQSA-N 0 0 315.316 4.150 50 0 DIAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000004709396 181140227 /nfs/dbraw/zinc/14/02/27/181140227.db2.gz HHCMKNGNVCTEOH-UVTDQMKNSA-N 0 0 317.266 4.050 50 0 DIAARN CCOC(=O)c1c(C)n(CCC2CCCC2)c2ccc(O)cc21 ZINC000004706919 181140483 /nfs/dbraw/zinc/14/04/83/181140483.db2.gz KBFGZADVXUULCW-UHFFFAOYSA-N 0 0 315.413 4.412 50 0 DIAARN O=C(Nc1ccn(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000004721809 181142482 /nfs/dbraw/zinc/14/24/82/181142482.db2.gz GFYNVKVKDGSGCX-UHFFFAOYSA-N 0 0 321.424 4.027 50 0 DIAARN Cc1cc2c3c(c4nnc(=S)[nH]c4n3C(C)(C)C=C2C)c1C ZINC000004737129 181144531 /nfs/dbraw/zinc/14/45/31/181144531.db2.gz OKDFECFHQCSGCB-UHFFFAOYSA-N 0 0 310.426 4.411 50 0 DIAARN CC(C)(C)c1ccc(SCC(=O)Nc2ccccn2)cc1 ZINC000004749713 181147611 /nfs/dbraw/zinc/14/76/11/181147611.db2.gz KPNJHZKLMBNZQJ-UHFFFAOYSA-N 0 0 300.427 4.110 50 0 DIAARN CCCOc1ccc(-c2n[nH]cc2Oc2ccccc2)c(O)c1 ZINC000004755829 181148948 /nfs/dbraw/zinc/14/89/48/181148948.db2.gz LWRNKRWWWITVRA-UHFFFAOYSA-N 0 0 310.353 4.363 50 0 DIAARN COc1ccc2[nH]c(C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000004778854 181151175 /nfs/dbraw/zinc/15/11/75/181151175.db2.gz CDJUTNQYRDRWEB-UHFFFAOYSA-N 0 0 300.745 4.082 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccccc1 ZINC000004784089 181152090 /nfs/dbraw/zinc/15/20/90/181152090.db2.gz BPOAWKQUNSIMJS-CQSZACIVSA-N 0 0 324.424 4.162 50 0 DIAARN O=C1[C@H](/C=C/c2ccccc2O)CC[C@H]1/C=C/c1ccccc1O ZINC000004799645 181152947 /nfs/dbraw/zinc/15/29/47/181152947.db2.gz SNNPJVGEEYUFQP-SBOPJIEZSA-N 0 0 320.388 4.420 50 0 DIAARN c1ccc(Cn2c(CN3CCCCC3)nc3ccccc32)cc1 ZINC000004809876 181154685 /nfs/dbraw/zinc/15/46/85/181154685.db2.gz TXKJWQIPAXUAHR-UHFFFAOYSA-N 0 0 305.425 4.071 50 0 DIAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=S)N(c1ccc(Cl)cc1)N2 ZINC000004811762 181155212 /nfs/dbraw/zinc/15/52/12/181155212.db2.gz XKRBPEGOFCCSIK-MEDUHNTESA-N 0 0 323.893 4.082 50 0 DIAARN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000004815921 181155950 /nfs/dbraw/zinc/15/59/50/181155950.db2.gz MXOAHORZDHMNRY-UHFFFAOYSA-N 0 0 318.269 4.239 50 0 DIAARN O=C(Nc1ccccc1Cl)c1cnc(-c2ccccc2)nc1 ZINC000004815341 181156158 /nfs/dbraw/zinc/15/61/58/181156158.db2.gz AZSNVXVYGNIXGG-UHFFFAOYSA-N 0 0 309.756 4.049 50 0 DIAARN O=C(Oc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1 ZINC000004820845 181156472 /nfs/dbraw/zinc/15/64/72/181156472.db2.gz PGMAUUQBSRXNIY-UHFFFAOYSA-N 0 0 319.147 4.156 50 0 DIAARN O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1cccs1 ZINC000004837893 181159959 /nfs/dbraw/zinc/15/99/59/181159959.db2.gz WDBNBKRSMUGGKK-CMDGGOBGSA-N 0 0 313.407 4.022 50 0 DIAARN Cc1ccc(-c2nnc(COc3ccccc3Cl)o2)cc1 ZINC000004842201 181161281 /nfs/dbraw/zinc/16/12/81/181161281.db2.gz FTLLBKCTPRUYAS-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN Cc1cc(O[C@H](C)c2nc(-c3ccncc3)no2)ccc1Cl ZINC000004842345 181161088 /nfs/dbraw/zinc/16/10/88/181161088.db2.gz WWMHOLPKZRPYEJ-LLVKDONJSA-N 0 0 315.760 4.233 50 0 DIAARN O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000004854217 181163825 /nfs/dbraw/zinc/16/38/25/181163825.db2.gz CUBXXJLIPWVUHH-KRWDZBQOSA-N 0 0 323.421 4.187 50 0 DIAARN Cc1ccccc1-c1nnc(-c2cccc(NC(=O)C(C)C)c2)o1 ZINC000004842962 181162059 /nfs/dbraw/zinc/16/20/59/181162059.db2.gz UKVCOCKKYCBLJA-UHFFFAOYSA-N 0 0 321.380 4.307 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cccc(C)c1 ZINC000004846448 181162603 /nfs/dbraw/zinc/16/26/03/181162603.db2.gz NYAGYGCCRUSEEI-AWEZNQCLSA-N 0 0 321.376 4.213 50 0 DIAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OC)CCC3 ZINC000004853512 181163410 /nfs/dbraw/zinc/16/34/10/181163410.db2.gz CUQRMRTXIDBXOS-UHFFFAOYSA-N 0 0 300.398 4.413 50 0 DIAARN O=C(Nc1nccs1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004858156 181164277 /nfs/dbraw/zinc/16/42/77/181164277.db2.gz BHVSGSVKJPBFEW-UHFFFAOYSA-N 0 0 322.748 4.448 50 0 DIAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 ZINC000004889006 181168456 /nfs/dbraw/zinc/16/84/56/181168456.db2.gz BVGGWCRUBXXKQZ-GOSISDBHSA-N 0 0 316.360 4.271 50 0 DIAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2)c1 ZINC000004900037 181170122 /nfs/dbraw/zinc/17/01/22/181170122.db2.gz NNKDWXDURATWDQ-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(F)cc1)=NO2 ZINC000004871585 181166916 /nfs/dbraw/zinc/16/69/16/181166916.db2.gz MTIUZVHFMVQNMK-LJQANCHMSA-N 0 0 310.372 4.074 50 0 DIAARN Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=O)CC(C)(C)C2 ZINC000004870228 181167077 /nfs/dbraw/zinc/16/70/77/181167077.db2.gz DCUYKPJFRHFSLM-UHFFFAOYSA-N 0 0 315.344 4.135 50 0 DIAARN CCCNC(=O)c1cc2ccsc2n1Cc1cccc(F)c1 ZINC000004874890 181167094 /nfs/dbraw/zinc/16/70/94/181167094.db2.gz AMRZLGYSCOGWQX-UHFFFAOYSA-N 0 0 316.401 4.030 50 0 DIAARN CC12CC3(C)CC(C)(C1)CC(NC(=O)N1CCCCC1)(C2)C3 ZINC000004872669 181167184 /nfs/dbraw/zinc/16/71/84/181167184.db2.gz DLISVCJNPSDLJG-UHFFFAOYSA-N 0 0 304.478 4.321 50 0 DIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1CCCCC1 ZINC000004926800 181173437 /nfs/dbraw/zinc/17/34/37/181173437.db2.gz AWUIAYNQLHMDRX-HYVNUMGLSA-N 0 0 324.461 4.114 50 0 DIAARN CCOc1c(Cl)cc(Cl)cc1CNCc1ccco1 ZINC000004942822 181177074 /nfs/dbraw/zinc/17/70/74/181177074.db2.gz QORAAVMGHGXZEQ-UHFFFAOYSA-N 0 0 300.185 4.275 50 0 DIAARN CCOc1ncccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000004950427 181178170 /nfs/dbraw/zinc/17/81/70/181178170.db2.gz KXXOEYSCALKEAQ-UHFFFAOYSA-N 0 0 311.168 4.039 50 0 DIAARN COc1ccccc1CNc1ccc(C)cc1Br ZINC000004982276 181183805 /nfs/dbraw/zinc/18/38/05/181183805.db2.gz ORXGGYOHMVTPDX-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN O=C(Nc1cccc(Br)c1F)OCc1ccccc1 ZINC000074937740 191390701 /nfs/dbraw/zinc/39/07/01/191390701.db2.gz INRWHGLHCPGDKM-UHFFFAOYSA-N 0 0 324.149 4.337 50 0 DIAARN Cc1cc(C)c(Cn2cccc2C2=N[C@@H](C(C)C)CO2)c(C)c1 ZINC000004970719 181181184 /nfs/dbraw/zinc/18/11/84/181181184.db2.gz CBRPODHATOPUPD-GOSISDBHSA-N 0 0 310.441 4.263 50 0 DIAARN Fc1ccccc1C1N=NC(=S)N1c1ccc(Cl)cc1 ZINC000004973833 181182132 /nfs/dbraw/zinc/18/21/32/181182132.db2.gz MCURJJHBMTYIOP-UHFFFAOYSA-N 0 0 305.765 4.016 50 0 DIAARN c1ccc(-c2nccc(N3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000075108473 191419239 /nfs/dbraw/zinc/41/92/39/191419239.db2.gz VLDJJEJDQIHDNE-JKSUJKDBSA-N 0 0 311.454 4.008 50 0 DIAARN O=C(Cc1ccc(F)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000004986202 181185045 /nfs/dbraw/zinc/18/50/45/181185045.db2.gz AGDGQHOTTIVWCF-UHFFFAOYSA-N 0 0 315.241 4.165 50 0 DIAARN O=C(Nc1nccs1)c1ccc(OCCc2ccccc2)cc1 ZINC000004992945 181186801 /nfs/dbraw/zinc/18/68/01/181186801.db2.gz PTUORFDNOWZRJB-UHFFFAOYSA-N 0 0 324.405 4.017 50 0 DIAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1 ZINC000004996841 181187194 /nfs/dbraw/zinc/18/71/94/181187194.db2.gz WGPDZNFKZQIXHQ-UHFFFAOYSA-N 0 0 301.405 4.048 50 0 DIAARN COc1cccc(/C=C/c2ccc3ccccc3n2)c1OC(C)=O ZINC000004998934 181188053 /nfs/dbraw/zinc/18/80/53/181188053.db2.gz APIFINQJILNNHK-ACCUITESSA-N 0 0 319.360 4.339 50 0 DIAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)o1 ZINC000005016970 181190976 /nfs/dbraw/zinc/19/09/76/181190976.db2.gz DONSCPOGCIGSID-INIZCTEOSA-N 0 0 308.381 4.402 50 0 DIAARN CCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)c1 ZINC000005019324 181191650 /nfs/dbraw/zinc/19/16/50/181191650.db2.gz HMUJZVJFTFUADW-UHFFFAOYSA-N 0 0 310.353 4.282 50 0 DIAARN Cc1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2 ZINC000005019379 181191882 /nfs/dbraw/zinc/19/18/82/181191882.db2.gz IWFZXOMPWLFPNW-UHFFFAOYSA-N 0 0 302.171 4.271 50 0 DIAARN C[C@H](Sc1nc2ccccc2o1)C(=O)NCC1CCCCC1 ZINC000005034106 181194423 /nfs/dbraw/zinc/19/44/23/181194423.db2.gz DKUYHGKYTKYCQJ-LBPRGKRZSA-N 0 0 318.442 4.005 50 0 DIAARN O=C(/C=C/C1=Cc2ccccc2OC1)Nc1cccc(Cl)c1 ZINC000005034402 181194615 /nfs/dbraw/zinc/19/46/15/181194615.db2.gz CLRLINDGTJFGIE-CMDGGOBGSA-N 0 0 311.768 4.311 50 0 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/nfs/dbraw/zinc/22/80/92/182228092.db2.gz LASAPUPDLBUQKO-UHFFFAOYSA-N 0 0 323.139 4.174 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)Nc1ccc2c(c1)CCC2 ZINC000020550740 182230152 /nfs/dbraw/zinc/23/01/52/182230152.db2.gz SKCQACGQHFUTPG-OAHLLOKOSA-N 0 0 308.425 4.318 50 0 DIAARN FC(F)(F)[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ccnn21 ZINC000020616529 182239620 /nfs/dbraw/zinc/23/96/20/182239620.db2.gz RHTKMLZRKWAMSH-GHMZBOCLSA-N 0 0 301.699 4.197 50 0 DIAARN O=C(Nc1cccnc1Cl)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575482 182234740 /nfs/dbraw/zinc/23/47/40/182234740.db2.gz VOMNJXOPAZXNNK-UHFFFAOYSA-N 0 0 322.755 4.017 50 0 DIAARN CC(C)CCC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000020601859 182236379 /nfs/dbraw/zinc/23/63/79/182236379.db2.gz ZESDDMBUYIQFJB-QGZVFWFLSA-N 0 0 303.446 4.142 50 0 DIAARN CCc1cc(C(F)(F)F)c2cnn(-c3ccccc3F)c2n1 ZINC000020605372 182237279 /nfs/dbraw/zinc/23/72/79/182237279.db2.gz HMEWEUJKMNZJAM-UHFFFAOYSA-N 0 0 309.266 4.141 50 0 DIAARN CCn1cc(-c2cc(C(F)F)c3c(n2)onc3C2CC2)c(C)n1 ZINC000020605771 182237995 /nfs/dbraw/zinc/23/79/95/182237995.db2.gz IAIKQXALRKKHLR-UHFFFAOYSA-N 0 0 318.327 4.230 50 0 DIAARN Cc1cc(=O)oc2c1ccc1c2CN([C@@H](C)c2ccccc2)CO1 ZINC000020610184 182238444 /nfs/dbraw/zinc/23/84/44/182238444.db2.gz RVCNAEPNLZBBQS-AWEZNQCLSA-N 0 0 321.376 4.015 50 0 biogenic DIAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(C)c1 ZINC000020900434 182252997 /nfs/dbraw/zinc/25/29/97/182252997.db2.gz ARITWVVTQCTQSM-QGZVFWFLSA-N 0 0 311.429 4.494 50 0 DIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000020900295 182253034 /nfs/dbraw/zinc/25/30/34/182253034.db2.gz SOVCWFAEGHIZLM-OAHLLOKOSA-N 0 0 317.820 4.449 50 0 DIAARN Cc1cccc(NC(=O)c2nc3ccccc3nc2Cl)c1C ZINC000020854143 182249429 /nfs/dbraw/zinc/24/94/29/182249429.db2.gz NKXFZAWHRVXYOX-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN Cc1cc(C)cc(NC(=O)c2nc3ccccc3nc2Cl)c1 ZINC000020854219 182249492 /nfs/dbraw/zinc/24/94/92/182249492.db2.gz LGELJNYDDLAPOU-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)no2)cc1 ZINC000020896761 182252179 /nfs/dbraw/zinc/25/21/79/182252179.db2.gz FQLZFMDHBNXADE-UHFFFAOYSA-N 0 0 323.348 4.268 50 0 DIAARN Cc1scc(CCNC(=O)Nc2cccc(C)c2C)c1C ZINC000021088234 182264512 /nfs/dbraw/zinc/26/45/12/182264512.db2.gz SFSATZMDRDCPFF-UHFFFAOYSA-N 0 0 302.443 4.346 50 0 DIAARN Cc1ccc(NC(=O)C[C@H](c2ccccc2C)n2cccc2)nc1 ZINC000020998578 182257880 /nfs/dbraw/zinc/25/78/80/182257880.db2.gz RIGCWIMJXUWJAG-GOSISDBHSA-N 0 0 319.408 4.118 50 0 DIAARN Cc1ccc(C)c(NC(=O)C[C@@H](c2ccco2)n2cccc2)c1 ZINC000020997348 182257933 /nfs/dbraw/zinc/25/79/33/182257933.db2.gz AWFIHVQHSVYEOX-KRWDZBQOSA-N 0 0 308.381 4.316 50 0 DIAARN Cc1ccc(CNc2c(-c3ccccc3)nc3ncccn32)cc1 ZINC000020996861 182258068 /nfs/dbraw/zinc/25/80/68/182258068.db2.gz ORJMJTOKKMDUBJ-UHFFFAOYSA-N 0 0 314.392 4.317 50 0 DIAARN Cc1ccccc1[C@@H](CC(=O)Nc1ncccc1C)n1cccc1 ZINC000020998574 182258152 /nfs/dbraw/zinc/25/81/52/182258152.db2.gz ZBUAPGRKEYKQHC-GOSISDBHSA-N 0 0 319.408 4.118 50 0 DIAARN Cc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)cc1 ZINC000020997203 182258178 /nfs/dbraw/zinc/25/81/78/182258178.db2.gz GBIVCXALTRWECV-MRXNPFEDSA-N 0 0 310.422 4.476 50 0 DIAARN CCc1ccccc1NC(=O)C[C@H](c1ccco1)n1cccc1 ZINC000020997299 182258239 /nfs/dbraw/zinc/25/82/39/182258239.db2.gz JEUUVRAMNMVMQN-QGZVFWFLSA-N 0 0 308.381 4.262 50 0 DIAARN Cc1ccccc1[C@@H](CC(=O)NCc1cccs1)n1cccc1 ZINC000020998740 182258968 /nfs/dbraw/zinc/25/89/68/182258968.db2.gz HZZHVPHWENQJGV-GOSISDBHSA-N 0 0 324.449 4.154 50 0 DIAARN Cc1oc(-c2ccc(C)cc2)nc1CNC(=O)c1ccc(C)cc1 ZINC000021020246 182261689 /nfs/dbraw/zinc/26/16/89/182261689.db2.gz XBJLSYYTQINEJG-UHFFFAOYSA-N 0 0 320.392 4.197 50 0 DIAARN CC[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021392682 182273919 /nfs/dbraw/zinc/27/39/19/182273919.db2.gz YEHDTEZPMOEVOP-KSSFIOAISA-N 0 0 311.450 4.013 50 0 DIAARN O=C(NCCCSCc1ccco1)Nc1ccccc1Cl ZINC000021148931 182266755 /nfs/dbraw/zinc/26/67/55/182266755.db2.gz NSNNSMSIHSNZDR-UHFFFAOYSA-N 0 0 324.833 4.378 50 0 DIAARN O=C(Nc1cccc2cnccc21)c1ccc(Cl)cc1F ZINC000021220137 182269433 /nfs/dbraw/zinc/26/94/33/182269433.db2.gz NYCVLRWPGDJALZ-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN COc1ccc(OCc2coc(-c3ccccc3)n2)c(C(C)=O)c1 ZINC000021220770 182269594 /nfs/dbraw/zinc/26/95/94/182269594.db2.gz YIHDCNJPAYUDEU-UHFFFAOYSA-N 0 0 323.348 4.132 50 0 DIAARN COC(=O)c1cc(Nc2cc(C)ccc2C)c2ccccc2n1 ZINC000021358613 182272845 /nfs/dbraw/zinc/27/28/45/182272845.db2.gz GXWUMFBIKGBAFY-UHFFFAOYSA-N 0 0 306.365 4.382 50 0 DIAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000021358814 182273065 /nfs/dbraw/zinc/27/30/65/182273065.db2.gz HRFOYEYQIAIWRH-ZDUSSCGKSA-N 0 0 324.405 4.216 50 0 DIAARN Cc1ccccc1-c1noc2ncnc(NC3CCCCC3)c12 ZINC000021714657 182284880 /nfs/dbraw/zinc/28/48/80/182284880.db2.gz PIICLKULBGFDMR-UHFFFAOYSA-N 0 0 308.385 4.338 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)no1 ZINC000021718998 182285190 /nfs/dbraw/zinc/28/51/90/182285190.db2.gz JXADKJKKVCDVNQ-AWEZNQCLSA-N 0 0 320.339 4.054 50 0 DIAARN COc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 ZINC000021579183 182280320 /nfs/dbraw/zinc/28/03/20/182280320.db2.gz DBKLJOJRFOJYAN-UHFFFAOYSA-N 0 0 324.380 4.488 50 0 DIAARN Fc1ccccc1-c1noc(NCc2ccccc2Cl)n1 ZINC000021629888 182281122 /nfs/dbraw/zinc/28/11/22/182281122.db2.gz DQKGCSVVYIKJFW-UHFFFAOYSA-N 0 0 303.724 4.141 50 0 DIAARN Cc1ccc(-c2nc3ncccn3c2NC2CCCC2)cc1C ZINC000021631591 182281198 /nfs/dbraw/zinc/28/11/98/182281198.db2.gz XCEPTGLLIXNYGR-UHFFFAOYSA-N 0 0 306.413 4.368 50 0 DIAARN Fc1ccccc1-c1noc(NCc2ccc(Cl)cc2)n1 ZINC000021629894 182281564 /nfs/dbraw/zinc/28/15/64/182281564.db2.gz ZBFUTUXODKLCEI-UHFFFAOYSA-N 0 0 303.724 4.141 50 0 DIAARN CCOC(=O)c1cnc(Nc2ccc(F)cc2)c2ccccc12 ZINC000021650077 182281986 /nfs/dbraw/zinc/28/19/86/182281986.db2.gz IKOVSEVURNKTFK-UHFFFAOYSA-N 0 0 310.328 4.294 50 0 DIAARN CCOC(=O)c1cnc(Nc2ccccc2F)c2ccccc12 ZINC000021650104 182282385 /nfs/dbraw/zinc/28/23/85/182282385.db2.gz OLNSHNADXXKJNR-UHFFFAOYSA-N 0 0 310.328 4.294 50 0 DIAARN Cc1nnc2c(SCc3cccc(C)c3)nc3ccccc3n12 ZINC000021658011 182282627 /nfs/dbraw/zinc/28/26/27/182282627.db2.gz BQUULWNQFMQTSJ-UHFFFAOYSA-N 0 0 320.421 4.187 50 0 DIAARN CCOC(=O)c1cnc(Nc2cccc(F)c2)c2ccccc12 ZINC000021650243 182282667 /nfs/dbraw/zinc/28/26/67/182282667.db2.gz HENXTUSNBFJQEF-UHFFFAOYSA-N 0 0 310.328 4.294 50 0 DIAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H]1c1cccs1 ZINC000021790732 182289336 /nfs/dbraw/zinc/28/93/36/182289336.db2.gz OEQQNUKJBMMEIE-OAHLLOKOSA-N 0 0 324.405 4.380 50 0 DIAARN C[C@H](c1ccccc1)N1CCn2c3ccc(Cl)cc3nc2C1 ZINC000021799944 182290510 /nfs/dbraw/zinc/29/05/10/182290510.db2.gz DXFKYGSYLUVNTB-CYBMUJFWSA-N 0 0 311.816 4.267 50 0 DIAARN CNc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn21 ZINC000021799403 182290561 /nfs/dbraw/zinc/29/05/61/182290561.db2.gz PSNONBNYLMSSFF-UHFFFAOYSA-N 0 0 320.318 4.074 50 0 DIAARN CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(Cl)cc2)nc1N ZINC000021804965 182291301 /nfs/dbraw/zinc/29/13/01/182291301.db2.gz SCNITAYHZCMIJV-LLVKDONJSA-N 0 0 320.824 4.037 50 0 DIAARN O=C(CCCSc1nnc(C2CCCC2)[nH]1)c1cccs1 ZINC000021807550 182291884 /nfs/dbraw/zinc/29/18/84/182291884.db2.gz SYWFSFPLCIKTAA-UHFFFAOYSA-N 0 0 321.471 4.279 50 0 DIAARN CC(C)[C@H](C)NC(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000021872088 182295430 /nfs/dbraw/zinc/29/54/30/182295430.db2.gz SCDPTBGDQHZQGK-AWEZNQCLSA-N 0 0 315.388 4.179 50 0 DIAARN Cc1ccc(NC(=O)CCc2ccsc2)c(Br)c1 ZINC000021890073 182296556 /nfs/dbraw/zinc/29/65/56/182296556.db2.gz MOWPUXLVNIJUIY-UHFFFAOYSA-N 0 0 324.243 4.390 50 0 DIAARN C[C@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 ZINC000021912626 182297836 /nfs/dbraw/zinc/29/78/36/182297836.db2.gz YDZUQOLJRBIJPH-AWEZNQCLSA-N 0 0 310.372 4.048 50 0 DIAARN CCCCOc1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021720300 182286686 /nfs/dbraw/zinc/28/66/86/182286686.db2.gz JTCCDNMEPFOGEA-LJQANCHMSA-N 0 0 314.429 4.499 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C ZINC000022006555 182303359 /nfs/dbraw/zinc/30/33/59/182303359.db2.gz KMRRSZRBKNWLFC-WMZOPIPTSA-N 0 0 310.441 4.065 50 0 DIAARN FC(F)Sc1ccccc1Nc1nc(Cl)nc(Cl)n1 ZINC000022016235 182303470 /nfs/dbraw/zinc/30/34/70/182303470.db2.gz IMIVAHZTFIYMCI-UHFFFAOYSA-N 0 0 323.155 4.237 50 0 DIAARN CCCCN(C(=O)c1cc(C)nc2onc(C)c21)c1ccccc1 ZINC000022009463 182303503 /nfs/dbraw/zinc/30/35/03/182303503.db2.gz WSFFMKMDPVJYJT-UHFFFAOYSA-N 0 0 323.396 4.287 50 0 DIAARN Cc1c(Cl)c(CN(C)Cc2ccco2)nc2ccccc12 ZINC000022130843 182309658 /nfs/dbraw/zinc/30/96/58/182309658.db2.gz FOMVWKFAEPPEKL-UHFFFAOYSA-N 0 0 300.789 4.422 50 0 DIAARN CCCCNC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000021934389 182298723 /nfs/dbraw/zinc/29/87/23/182298723.db2.gz UZWBTXAJUQVERH-UHFFFAOYSA-N 0 0 319.408 4.135 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000021962277 182300166 /nfs/dbraw/zinc/30/01/66/182300166.db2.gz CFETYKHQAZZTQJ-CQSZACIVSA-N 0 0 317.820 4.135 50 0 DIAARN CC(C)n1nccc1NC(=O)c1cc(Cl)sc1Cl ZINC000022289921 182317217 /nfs/dbraw/zinc/31/72/17/182317217.db2.gz DGVANTIMMOGVDJ-UHFFFAOYSA-N 0 0 304.202 4.085 50 0 DIAARN CC(C)CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022329645 182318131 /nfs/dbraw/zinc/31/81/31/182318131.db2.gz OFAVMHFPWXIJAF-UHFFFAOYSA-N 0 0 314.429 4.415 50 0 DIAARN O=C(Nc1ccc(N2CCCC2)nc1)c1cccc2ccccc21 ZINC000022326657 182318424 /nfs/dbraw/zinc/31/84/24/182318424.db2.gz DARBUEVJUPGIAW-UHFFFAOYSA-N 0 0 317.392 4.087 50 0 DIAARN O=C(COC(=O)c1ccc(C2CCCCC2)cc1)c1ccc[nH]1 ZINC000022335115 182318761 /nfs/dbraw/zinc/31/87/61/182318761.db2.gz TWVWCBDSGCDDJT-UHFFFAOYSA-N 0 0 311.381 4.102 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@H](NC(=O)C[C@@H]1C=CCC1)C3 ZINC000022330958 182318942 /nfs/dbraw/zinc/31/89/42/182318942.db2.gz IXADFLHKMJDTGI-ZBFHGGJFSA-N 0 0 322.452 4.060 50 0 DIAARN CC(C)(C)c1ccc(-c2cc(C(=O)N3CC=CCC3)no2)cc1 ZINC000022332994 182318976 /nfs/dbraw/zinc/31/89/76/182318976.db2.gz FZARZWQSIWFCIL-UHFFFAOYSA-N 0 0 310.397 4.041 50 0 DIAARN Cc1cccc2sc(NC(=O)c3cccc4ncccc43)nc21 ZINC000022241313 182314709 /nfs/dbraw/zinc/31/47/09/182314709.db2.gz KGASCSGJTJHAAX-UHFFFAOYSA-N 0 0 319.389 4.405 50 0 DIAARN Cc1occc1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000022742114 182332406 /nfs/dbraw/zinc/33/24/06/182332406.db2.gz PATAQSQTQRKSRH-CMDGGOBGSA-N 0 0 304.349 4.406 50 0 DIAARN O=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCC1 ZINC000022632950 182329248 /nfs/dbraw/zinc/32/92/48/182329248.db2.gz VFGDIMQGDZJQIR-UHFFFAOYSA-N 0 0 306.365 4.121 50 0 DIAARN CC(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022627151 182329336 /nfs/dbraw/zinc/32/93/36/182329336.db2.gz QSNLTBKSEGAIRI-UHFFFAOYSA-N 0 0 308.381 4.271 50 0 DIAARN COc1ccccc1-c1nnc(SCc2cccc(F)c2)o1 ZINC000022714705 182332021 /nfs/dbraw/zinc/33/20/21/182332021.db2.gz BRBYCDIKPHEUBX-UHFFFAOYSA-N 0 0 316.357 4.177 50 0 DIAARN Cc1cc(CSc2ncc(-c3ccccc3)n2C2CC2)no1 ZINC000022417606 182321415 /nfs/dbraw/zinc/32/14/15/182321415.db2.gz SADXQWUDYNDUNL-UHFFFAOYSA-N 0 0 311.410 4.474 50 0 DIAARN O=c1c(CNc2ccc(F)c(F)c2)coc2ccc(Cl)cc12 ZINC000023282517 182355444 /nfs/dbraw/zinc/35/54/44/182355444.db2.gz HSRIRCXSYZVMQV-UHFFFAOYSA-N 0 0 321.710 4.337 50 0 DIAARN COc1ccc(NCc2ccccc2C(F)(F)F)c(OC)c1 ZINC000023283099 182355772 /nfs/dbraw/zinc/35/57/72/182355772.db2.gz VEISALWRBWPVBF-UHFFFAOYSA-N 0 0 311.303 4.335 50 0 DIAARN COc1ccccc1NC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000023296314 182356194 /nfs/dbraw/zinc/35/61/94/182356194.db2.gz ZJNYFAJXFBNYDS-UHFFFAOYSA-N 0 0 324.380 4.007 50 0 DIAARN O=C(OCc1ccccn1)c1ccccc1Oc1ccccc1 ZINC000023027191 182345146 /nfs/dbraw/zinc/34/51/46/182345146.db2.gz LRPDAGZCWVUEDY-UHFFFAOYSA-N 0 0 305.333 4.231 50 0 DIAARN COC(=O)c1ccoc1CSc1cc(C)c2ccccc2n1 ZINC000023451641 182361286 /nfs/dbraw/zinc/36/12/86/182361286.db2.gz MUBUSTVPRBNWKA-UHFFFAOYSA-N 0 0 313.378 4.215 50 0 DIAARN CC(C)CCN1C(=O)c2ccccc2[C@H]1OCc1ccccc1 ZINC000023467602 182361347 /nfs/dbraw/zinc/36/13/47/182361347.db2.gz JLKHMYVONMSSEF-HXUWFJFHSA-N 0 0 309.409 4.404 50 0 DIAARN Cc1noc(C)c1COc1ccc(C(=O)c2ccccc2)cc1 ZINC000023513264 182363401 /nfs/dbraw/zinc/36/34/01/182363401.db2.gz DSJUMFKQCKTRPX-UHFFFAOYSA-N 0 0 307.349 4.101 50 0 DIAARN 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CCC[C@H](C)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 ZINC000042512712 183278904 /nfs/dbraw/zinc/27/89/04/183278904.db2.gz USOWDNMWLPOCSG-RYUDHWBXSA-N 0 0 322.499 4.347 50 0 DIAARN Brc1ccc(CNc2nc3ccccc3o2)cc1 ZINC000042340222 183255910 /nfs/dbraw/zinc/25/59/10/183255910.db2.gz GKCUHYWBEYLFCN-UHFFFAOYSA-N 0 0 303.159 4.202 50 0 DIAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000042384281 183262372 /nfs/dbraw/zinc/26/23/72/183262372.db2.gz YNLZEEJBHSGRGK-UHFFFAOYSA-N 0 0 312.388 4.441 50 0 DIAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccncc1 ZINC000042759148 183306373 /nfs/dbraw/zinc/30/63/73/183306373.db2.gz BTQWPNLYGMONRD-AWEZNQCLSA-N 0 0 324.409 4.060 50 0 DIAARN C[C@@H](NC(=O)N(C)Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000043000129 183327033 /nfs/dbraw/zinc/32/70/33/183327033.db2.gz WNXITOHRKVAAIJ-PGBRGIIUSA-N 0 0 316.445 4.026 50 0 DIAARN CC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000043061646 183333580 /nfs/dbraw/zinc/33/35/80/183333580.db2.gz VYNOULHXXDFBLU-UHFFFAOYSA-N 0 0 302.805 4.075 50 0 in-vitro 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FC(F)(F)c1ccc(Nc2ncc(-c3ccncn3)s2)cc1 ZINC000043796826 183386326 /nfs/dbraw/zinc/38/63/26/183386326.db2.gz HWJXEOYVIHLCJY-UHFFFAOYSA-N 0 0 322.315 4.363 50 0 DIAARN CC(C)CN(C(=O)Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000043878728 183388640 /nfs/dbraw/zinc/38/86/40/183388640.db2.gz FYOMAACTVKHGKO-UHFFFAOYSA-N 0 0 316.323 4.238 50 0 DIAARN Cc1cnc(NC(=O)c2c3ccccc3nc3c2CCCC3)s1 ZINC000044189095 183397914 /nfs/dbraw/zinc/39/79/14/183397914.db2.gz CODQGJZHNIOEES-UHFFFAOYSA-N 0 0 323.421 4.131 50 0 DIAARN C[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1cccs1 ZINC000044315245 183404414 /nfs/dbraw/zinc/40/44/14/183404414.db2.gz HXRTVNCBFSQNAR-CHWSQXEVSA-N 0 0 305.468 4.247 50 0 DIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018059 183543264 /nfs/dbraw/zinc/54/32/64/183543264.db2.gz FBOGPUJLKJVXSD-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(c1c(F)cccc1F)N1CCC[C@@H]1c1ccccc1F ZINC000046018030 183543524 /nfs/dbraw/zinc/54/35/24/183543524.db2.gz ITGWYDLIPYJULZ-OAHLLOKOSA-N 0 0 305.299 4.081 50 0 DIAARN 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50 0 DIAARN CCOc1cc(Br)c(OCC)cc1Br ZINC000039296781 331678210 /nfs/dbraw/zinc/67/82/10/331678210.db2.gz TWZPWMNAQFXRCD-UHFFFAOYSA-N 0 0 324.012 4.009 50 0 DIAARN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3nc(C4CC4)no3)c2)n1 ZINC000160030334 332748252 /nfs/dbraw/zinc/74/82/52/332748252.db2.gz AQGAYZUWPIYWRV-LBPRGKRZSA-N 0 0 324.384 4.392 50 0 DIAARN FC(F)(F)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 ZINC000012730406 333116123 /nfs/dbraw/zinc/11/61/23/333116123.db2.gz ARPRVCWWSWMEDH-UHFFFAOYSA-N 0 0 321.224 4.126 50 0 DIAARN CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccccc2F)c1 ZINC000020540053 333357778 /nfs/dbraw/zinc/35/77/78/333357778.db2.gz PDROWEQWBZRABH-ZDUSSCGKSA-N 0 0 316.376 4.496 50 0 DIAARN CCc1nnc(CN[C@@H](C)c2ccc(Cl)c3ccccc32)o1 ZINC000185389881 333369895 /nfs/dbraw/zinc/36/98/95/333369895.db2.gz XWPJOFZKZDDXTR-NSHDSACASA-N 0 0 315.804 4.289 50 0 DIAARN C[C@H](Nc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 ZINC000028907737 333411641 /nfs/dbraw/zinc/41/16/41/333411641.db2.gz PXFNPIAYHXYQAB-ZDUSSCGKSA-N 0 0 306.837 4.147 50 0 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DIAARN O=C(NCc1ccco1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000104767303 336268503 /nfs/dbraw/zinc/26/85/03/336268503.db2.gz OPXRYFUKFINDGH-SFHVURJKSA-N 0 0 310.397 4.031 50 0 DIAARN Cc1cccc(-c2cccc(C[NH2+]C3CCC(C(=O)[O-])CC3)c2)c1 ZINC000263386267 337627378 /nfs/dbraw/zinc/62/73/78/337627378.db2.gz CWORUWUARGXUNC-UHFFFAOYSA-N 0 0 323.436 4.395 50 0 DIAARN C(=C\[C@@H]1CCCN1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000542803051 341021255 /nfs/dbraw/zinc/02/12/55/341021255.db2.gz SVWGOFXMTQVQNN-SNGWPZLWSA-N 0 0 321.380 4.007 50 0 DIAARN CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1cccnc1)CCC2 ZINC000134512733 341216733 /nfs/dbraw/zinc/21/67/33/341216733.db2.gz YIJVYTZYFGORGM-LJQANCHMSA-N 0 0 323.440 4.082 50 0 DIAARN Cn1c(SCc2cccc(F)c2)nnc1-c1ccccc1F ZINC000007235688 518194753 /nfs/dbraw/zinc/19/47/53/518194753.db2.gz KXEXYJZHJBCMMV-UHFFFAOYSA-N 0 0 317.364 4.053 50 0 DIAARN CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1Cl ZINC000130829224 523526789 /nfs/dbraw/zinc/52/67/89/523526789.db2.gz GJDUHQARAXWTFP-INIZCTEOSA-N 0 0 318.804 4.158 50 0 DIAARN Cc1ccc(Cl)c(NC(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000178247489 524705979 /nfs/dbraw/zinc/70/59/79/524705979.db2.gz DOBUDGHWIOCSCT-UHFFFAOYSA-N 0 0 320.742 4.455 50 0 DIAARN Cc1ccc2cccc(C(=O)N(CC(F)(F)F)C3CCC3)c2n1 ZINC000180236378 526233950 /nfs/dbraw/zinc/23/39/50/526233950.db2.gz JTQNEFJYGGTSFR-UHFFFAOYSA-N 0 0 322.330 4.100 50 0 DIAARN CCCCCc1nnc(NC(=O)c2sccc2Cl)s1 ZINC000285212631 535147452 /nfs/dbraw/zinc/14/74/52/535147452.db2.gz VZHHKHYPVQPJCW-UHFFFAOYSA-N 0 0 315.851 4.238 50 0 DIAARN CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000254795 563582454 /nfs/dbraw/zinc/58/24/54/563582454.db2.gz CEKRDUGRJHELNU-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN Cc1ccc([S@](=O)/C(F)=C/COCc2ccccc2)cc1 ZINC000033836096 563597196 /nfs/dbraw/zinc/59/71/96/563597196.db2.gz YFGXJTYNLNXOEZ-KDHISYJLSA-N 0 0 304.386 4.130 50 0 DIAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)s1 ZINC000048345535 563697074 /nfs/dbraw/zinc/69/70/74/563697074.db2.gz OBCZXKBCDOSENK-CYBMUJFWSA-N 0 0 303.427 4.335 50 0 DIAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000048412823 563698319 /nfs/dbraw/zinc/69/83/19/563698319.db2.gz LPQGGHLRQQVTKP-HNNXBMFYSA-N 0 0 306.192 4.411 50 0 DIAARN CC(=O)c1cc(Cl)c(C(F)(F)F)cc1Br ZINC000263624415 563794904 /nfs/dbraw/zinc/79/49/04/563794904.db2.gz QFVKFVBGPSCZOE-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN Fc1cc(Br)cc(C(F)(F)F)c1Br ZINC000263624500 563794908 /nfs/dbraw/zinc/79/49/08/563794908.db2.gz RAYBZDBWYZMWKK-UHFFFAOYSA-N 0 0 321.893 4.370 50 0 DIAARN Cc1ccc(F)cc1NCC(=O)Nc1cccc(Cl)c1C ZINC000007972708 563891842 /nfs/dbraw/zinc/89/18/42/563891842.db2.gz BMIPAPVUKFSHRU-UHFFFAOYSA-N 0 0 306.768 4.147 50 0 DIAARN CC(=O)SCCCCCCNc1nc2cc(F)ccc2o1 ZINC000170619621 563908530 /nfs/dbraw/zinc/90/85/30/563908530.db2.gz BZVGFTCUWDLKIW-UHFFFAOYSA-N 0 0 310.394 4.219 50 0 DIAARN Brc1cc(CSC[C@H]2CCCCO2)cs1 ZINC000195540190 563919622 /nfs/dbraw/zinc/91/96/22/563919622.db2.gz QGSLQDVICUGGOB-SNVBAGLBSA-N 0 0 307.278 4.313 50 0 DIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(C)ccc1F)C2 ZINC000009677882 563957238 /nfs/dbraw/zinc/95/72/38/563957238.db2.gz QBUNPKAMHOLFIQ-INIZCTEOSA-N 0 0 301.386 4.098 50 0 DIAARN CNc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000000144230 563223923 /nfs/dbraw/zinc/22/39/23/563223923.db2.gz RGOKGZCGPOFYFI-AAEUAGOBSA-N 0 0 308.853 4.326 50 0 DIAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000000146624 563223927 /nfs/dbraw/zinc/22/39/27/563223927.db2.gz IYINNXMMWPRFOQ-MRXNPFEDSA-N 0 0 319.813 4.127 50 0 DIAARN COc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000000450082 563256038 /nfs/dbraw/zinc/25/60/38/563256038.db2.gz CIPIOHJIFOSHTR-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)CSc2ccccc2)s1 ZINC000071883138 563277671 /nfs/dbraw/zinc/27/76/71/563277671.db2.gz VDPLDAUHSZYSLE-GFCCVEGCSA-N 0 0 320.483 4.072 50 0 DIAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000000609187 563268227 /nfs/dbraw/zinc/26/82/27/563268227.db2.gz RJOGKSLHMKYQDS-LLVKDONJSA-N 0 0 307.365 4.225 50 0 DIAARN CSc1ccc(NC(=O)OCCOc2ccccc2)cc1 ZINC000001741784 563294661 /nfs/dbraw/zinc/29/46/61/563294661.db2.gz UQOXJFFLMNVKQN-UHFFFAOYSA-N 0 0 303.383 4.036 50 0 DIAARN O=C(NC1CCCCCCC1)c1c(F)c(F)c(F)c(F)c1F ZINC000002765506 563313216 /nfs/dbraw/zinc/31/32/16/563313216.db2.gz OKLRABWLTIYCCJ-UHFFFAOYSA-N 0 0 321.289 4.225 50 0 DIAARN COc1cc(C)ccc1OCCCCOc1ccc(F)cc1 ZINC000002994802 563320586 /nfs/dbraw/zinc/32/05/86/563320586.db2.gz MYIWMNBPWYPVLK-UHFFFAOYSA-N 0 0 304.361 4.381 50 0 DIAARN Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000011920574 563360629 /nfs/dbraw/zinc/36/06/29/563360629.db2.gz MLEIYTXOIRNKEM-UHFFFAOYSA-N 0 0 306.152 4.293 50 0 DIAARN O=C(CCC(=O)c1ccc(F)cc1)NC1CCCCCCC1 ZINC000013019987 563377070 /nfs/dbraw/zinc/37/70/70/563377070.db2.gz PJQJVBPLZUVBQP-UHFFFAOYSA-N 0 0 305.393 4.018 50 0 DIAARN O=C(CCNc1ccc(OC(F)(F)Cl)cc1)c1ccco1 ZINC000004622408 563476390 /nfs/dbraw/zinc/47/63/90/563476390.db2.gz XATPPRWNEPWHRT-UHFFFAOYSA-N 0 0 315.703 4.132 50 0 DIAARN CCN(C(=O)c1ccc(SC)cc1OC)c1ccccc1 ZINC000000030861 563211245 /nfs/dbraw/zinc/21/12/45/563211245.db2.gz YUJDYCJAKIEATI-UHFFFAOYSA-N 0 0 301.411 4.084 50 0 DIAARN COc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000000037675 563211349 /nfs/dbraw/zinc/21/13/49/563211349.db2.gz BQVIHHJCRSSPKT-LLVKDONJSA-N 0 0 321.829 4.468 50 0 DIAARN COc1ccccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000042007 563211504 /nfs/dbraw/zinc/21/15/04/563211504.db2.gz NFBQBJNPBOTHQI-RNCFNFMXSA-N 0 0 314.212 4.225 50 0 DIAARN CCc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000239117 563232239 /nfs/dbraw/zinc/23/22/39/563232239.db2.gz XYOPJAVRQHHYCR-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000000027931 563211124 /nfs/dbraw/zinc/21/11/24/563211124.db2.gz QQVYQPRHMJHHHO-NTEUORMPSA-N 0 0 306.409 4.329 50 0 DIAARN CN1CCC(=C2c3ccsc3C(=O)Cc3ccccc32)CC1 ZINC000000004351 563211142 /nfs/dbraw/zinc/21/11/42/563211142.db2.gz ZCVMWBYGMWKGHF-UHFFFAOYSA-N 0 0 309.434 4.014 50 0 fda DIAARN CCc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000376228 563247041 /nfs/dbraw/zinc/24/70/41/563247041.db2.gz ODLXNWNJKWBEQL-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN O=C(NCc1ccco1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000035559 563211248 /nfs/dbraw/zinc/21/12/48/563211248.db2.gz PSPZLHVPXKCSTO-GOSISDBHSA-N 0 0 323.417 4.429 50 0 DIAARN COc1cccc(NC(=O)c2ccc(C)c(Br)c2)c1 ZINC000000045955 563211682 /nfs/dbraw/zinc/21/16/82/563211682.db2.gz UFVAVTRHHJRRNO-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000035970 563211339 /nfs/dbraw/zinc/21/13/39/563211339.db2.gz HBXTWSAQJYPCGH-SNVBAGLBSA-N 0 0 324.207 4.493 50 0 DIAARN Cc1ccc(OCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000000037809 563211313 /nfs/dbraw/zinc/21/13/13/563211313.db2.gz YWGJFLPOZYUCQR-UHFFFAOYSA-N 0 0 320.314 4.443 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1ccc(Br)o1 ZINC000000037759 563211354 /nfs/dbraw/zinc/21/13/54/563211354.db2.gz SEORHHLOOYKIQR-UHFFFAOYSA-N 0 0 314.566 4.256 50 0 DIAARN CCN1c2cc(N)ccc2-c2ccc(N)cc2[C@H]1c1ccccc1 ZINC000000057304 563211998 /nfs/dbraw/zinc/21/19/98/563211998.db2.gz XYJODUBPWNZLML-OAQYLSRUSA-N 0 0 315.420 4.447 50 0 in-vitro DIAARN CCOc1ccc(NC(=O)/C(Cl)=C/c2ccccc2)cc1 ZINC000000054710 563212006 /nfs/dbraw/zinc/21/20/06/563212006.db2.gz OMEFYKRUBWJCBO-VBKFSLOCSA-N 0 0 301.773 4.304 50 0 DIAARN CC(C)CC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000000070195 563212788 /nfs/dbraw/zinc/21/27/88/563212788.db2.gz KAYUUAMKBFTNQH-UHFFFAOYSA-N 0 0 321.380 4.388 50 0 DIAARN CC(C)Oc1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC000000068097 563212821 /nfs/dbraw/zinc/21/28/21/563212821.db2.gz JPXFQLCQCXPOHA-UHFFFAOYSA-N 0 0 312.394 4.336 50 0 DIAARN C[C@@H]1C[C@@]2(CC(=O)N(c3ccc(Cl)cc3)C2=O)CC(C)(C)C1 ZINC000000074341 563213151 /nfs/dbraw/zinc/21/31/51/563213151.db2.gz YWSVJDGUFNFHIX-KPZWWZAWSA-N 0 0 319.832 4.436 50 0 DIAARN Nc1ccccc1NC(=S)Nc1ccccc1C(F)(F)F ZINC000000071590 563213386 /nfs/dbraw/zinc/21/33/86/563213386.db2.gz RIOWPMBWAKHKFP-UHFFFAOYSA-N 0 0 311.332 4.097 50 0 DIAARN Nc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000000071551 563213511 /nfs/dbraw/zinc/21/35/11/563213511.db2.gz QZNCGZCNYYJKNZ-UHFFFAOYSA-N 0 0 311.332 4.097 50 0 DIAARN CC(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000000074276 563213524 /nfs/dbraw/zinc/21/35/24/563213524.db2.gz FLUAHCHNVVWAAR-UHFFFAOYSA-N 0 0 313.740 4.276 50 0 DIAARN CCn1c2ccccc2nc1[C@H](O)c1cccc2ccccc21 ZINC000000079139 563213759 /nfs/dbraw/zinc/21/37/59/563213759.db2.gz DQIFGQGNTNUKJV-LJQANCHMSA-N 0 0 302.377 4.291 50 0 DIAARN Oc1ccc2cc(Br)ccc2c1Br ZINC000000078026 563213786 /nfs/dbraw/zinc/21/37/86/563213786.db2.gz VKESFYLPKHQOOA-UHFFFAOYSA-N 0 0 301.965 4.070 50 0 DIAARN O=C(Nc1ccccc1NC(=O)c1ccccc1)c1ccccc1 ZINC000000077974 563213828 /nfs/dbraw/zinc/21/38/28/563213828.db2.gz PDRZOLRKTPJCNY-UHFFFAOYSA-N 0 0 316.360 4.191 50 0 DIAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 ZINC000000082556 563214425 /nfs/dbraw/zinc/21/44/25/563214425.db2.gz FNUMSBBXAIMFCW-CYBMUJFWSA-N 0 0 322.360 4.006 50 0 DIAARN OC(COc1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000000084946 563214587 /nfs/dbraw/zinc/21/45/87/563214587.db2.gz QDPAPVHMMIFCLF-UHFFFAOYSA-N 0 0 308.352 4.141 50 0 DIAARN Cc1c(C)c(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 ZINC000000082536 563214689 /nfs/dbraw/zinc/21/46/89/563214689.db2.gz CAYRRGRUGPCPSI-CQSZACIVSA-N 0 0 322.360 4.060 50 0 DIAARN Cc1c2ccc(O)cc2oc(=O)c1Cc1c(F)cccc1Cl ZINC000000088706 563215086 /nfs/dbraw/zinc/21/50/86/563215086.db2.gz XGGJPQTVADCHDQ-UHFFFAOYSA-N 0 0 318.731 4.190 50 0 DIAARN O=C(COc1ccc2ccccc2c1)NCCC1=CCCCC1 ZINC000000087063 563215094 /nfs/dbraw/zinc/21/50/94/563215094.db2.gz PILUTNOEZXEAPJ-UHFFFAOYSA-N 0 0 309.409 4.225 50 0 DIAARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(O)cc1 ZINC000000087107 563215194 /nfs/dbraw/zinc/21/51/94/563215194.db2.gz UOEPPEWHDGFYEQ-LJQANCHMSA-N 0 0 316.360 4.163 50 0 DIAARN C[C@@H]1CCc2c(sc3ncnc(N4CCCCCC4)c23)C1 ZINC000000087339 563215245 /nfs/dbraw/zinc/21/52/45/563215245.db2.gz LBIYZYHEFGVVSX-GFCCVEGCSA-N 0 0 301.459 4.197 50 0 DIAARN Cc1c(C)n(C[C@H](O)CNc2cc(C)ccc2C)c2ccccc12 ZINC000000086851 563215273 /nfs/dbraw/zinc/21/52/73/563215273.db2.gz PPGLIDDMFSTLOC-GOSISDBHSA-N 0 0 322.452 4.348 50 0 DIAARN Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000000092317 563215846 /nfs/dbraw/zinc/21/58/46/563215846.db2.gz BAHBAEPZFPEIGF-UHFFFAOYSA-N 0 0 306.152 4.293 50 0 DIAARN C[C@@H]1CCc2c(sc3nc(-c4cccs4)oc(=O)c23)C1 ZINC000000097787 563216444 /nfs/dbraw/zinc/21/64/44/563216444.db2.gz CEVZTCMAFAXKPS-MRVPVSSYSA-N 0 0 303.408 4.103 50 0 DIAARN C[C@@H](O)c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000000099442 563216863 /nfs/dbraw/zinc/21/68/63/563216863.db2.gz MFHUZKAIOOSYAR-CQSZACIVSA-N 0 0 302.377 4.291 50 0 DIAARN CC(C)Cc1ccc(C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000000103875 563217463 /nfs/dbraw/zinc/21/74/63/563217463.db2.gz UKEYLPPMLGZPLC-LJQANCHMSA-N 0 0 308.377 4.370 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000102662 563217501 /nfs/dbraw/zinc/21/75/01/563217501.db2.gz SXCHPSMRYXIEGD-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN COc1ccc2nc(SCCc3ccccc3)nc(C)c2c1 ZINC000000104865 563217691 /nfs/dbraw/zinc/21/76/91/563217691.db2.gz PNNJQOQQKDGZQT-UHFFFAOYSA-N 0 0 310.422 4.282 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2csnn2)cc1 ZINC000000107102 563218090 /nfs/dbraw/zinc/21/80/90/563218090.db2.gz RYAYMHYAGRENID-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN CCN(CC)C(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000000105655 563218180 /nfs/dbraw/zinc/21/81/80/563218180.db2.gz IBTIFIIMNHAECJ-UHFFFAOYSA-N 0 0 313.184 4.382 50 0 DIAARN NC(=S)Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC000000108969 563218770 /nfs/dbraw/zinc/21/87/70/563218770.db2.gz SNSIQNMHLBKVOD-UHFFFAOYSA-N 0 0 302.346 4.089 50 0 DIAARN Cc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000000111951 563218948 /nfs/dbraw/zinc/21/89/48/563218948.db2.gz TYBCXZKEOYILHY-UHFFFAOYSA-N 0 0 318.682 4.216 50 0 DIAARN O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccc1 ZINC000000116568 563219097 /nfs/dbraw/zinc/21/90/97/563219097.db2.gz QPXHZQGKFPITLO-UHFFFAOYSA-N 0 0 317.388 4.049 50 0 DIAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1 ZINC000000112830 563219191 /nfs/dbraw/zinc/21/91/91/563219191.db2.gz FIVZVBBPEGILGD-UHFFFAOYSA-N 0 0 322.389 4.253 50 0 DIAARN CCOc1ccc2c(c1)oc(C)c(Oc1ccc(F)cc1)c2=O ZINC000000116742 563219308 /nfs/dbraw/zinc/21/93/08/563219308.db2.gz CGMAUEOLPMFHOB-UHFFFAOYSA-N 0 0 314.312 4.432 50 0 DIAARN FC(F)(F)c1nc2ccccc2n1C[C@@H]1CC1(Cl)Cl ZINC000000117511 563219825 /nfs/dbraw/zinc/21/98/25/563219825.db2.gz RRRSFVVLCUGDBF-ZETCQYMHSA-N 0 0 309.118 4.249 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000000123268 563220584 /nfs/dbraw/zinc/22/05/84/563220584.db2.gz HQNSVGFFIOHFQL-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN Cc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 ZINC000000124075 563220631 /nfs/dbraw/zinc/22/06/31/563220631.db2.gz LNTRXVQPDZRSAH-UHFFFAOYSA-N 0 0 306.152 4.414 50 0 DIAARN Cc1nn(C(=O)c2ccccc2)c(C)c1Sc1ccccc1 ZINC000000127662 563221202 /nfs/dbraw/zinc/22/12/02/563221202.db2.gz HKBZGGHGAPYZJP-UHFFFAOYSA-N 0 0 308.406 4.340 50 0 DIAARN CN(Cc1ccccc1)C(=O)COc1cc(Cl)ccc1Cl ZINC000000130410 563221473 /nfs/dbraw/zinc/22/14/73/563221473.db2.gz MVLKHIGQCJDNPB-UHFFFAOYSA-N 0 0 324.207 4.031 50 0 DIAARN CC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132293 563221521 /nfs/dbraw/zinc/22/15/21/563221521.db2.gz SVVVJPNQJSCVSG-LLVKDONJSA-N 0 0 314.435 4.428 50 0 DIAARN CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C(F)(F)F)cn1 ZINC000000132094 563221615 /nfs/dbraw/zinc/22/16/15/563221615.db2.gz HCAJTXBFKXVZTI-UHFFFAOYSA-N 0 0 321.364 4.313 50 0 DIAARN CC(=O)[C@H](C)Sc1ncnc2scc(-c3ccccc3)c21 ZINC000000132308 563221641 /nfs/dbraw/zinc/22/16/41/563221641.db2.gz BPWUVGXDPCSIBO-NSHDSACASA-N 0 0 314.435 4.428 50 0 DIAARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccccc2F)c1 ZINC000000133544 563222365 /nfs/dbraw/zinc/22/23/65/563222365.db2.gz AVENDPLBRLBSGI-UHFFFAOYSA-N 0 0 315.388 4.449 50 0 DIAARN Cc1cc(C)c(NC(=O)c2ccc(Br)o2)c(C)c1 ZINC000000142111 563223250 /nfs/dbraw/zinc/22/32/50/563223250.db2.gz XPQSTOYSQXHTIW-UHFFFAOYSA-N 0 0 308.175 4.220 50 0 DIAARN CC(=O)c1ccccc1OC(=O)c1cc(Cl)cc(Cl)c1 ZINC000000140721 563223476 /nfs/dbraw/zinc/22/34/76/563223476.db2.gz ZTCALBNFIGBNBI-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000000144415 563223784 /nfs/dbraw/zinc/22/37/84/563223784.db2.gz KCVUOXXRVUEWBK-AWNIVKPZSA-N 0 0 311.381 4.134 50 0 DIAARN CC(C)Oc1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000000144457 563223831 /nfs/dbraw/zinc/22/38/31/563223831.db2.gz HSCIDTROIIYZAN-UHFFFAOYSA-N 0 0 319.788 4.145 50 0 DIAARN Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2C)c(C)c1 ZINC000000146436 563224086 /nfs/dbraw/zinc/22/40/86/563224086.db2.gz ZCASBAAYFDZZIK-UHFFFAOYSA-N 0 0 312.438 4.047 50 0 DIAARN Cc1cc(C)cc(OCC(=O)OCc2ccccc2Cl)c1 ZINC000000149996 563224658 /nfs/dbraw/zinc/22/46/58/563224658.db2.gz FGOHOCIYAJOOCE-UHFFFAOYSA-N 0 0 304.773 4.079 50 0 DIAARN Cc1ccsc1CNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000147819 563224667 /nfs/dbraw/zinc/22/46/67/563224667.db2.gz OXWOTQLDNCXCNU-UHFFFAOYSA-N 0 0 314.332 4.397 50 0 DIAARN COc1cccc(C=O)c1OCc1c(Cl)cccc1Cl ZINC000000151835 563225243 /nfs/dbraw/zinc/22/52/43/563225243.db2.gz WCVTVENSSLJXRD-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN CCOc1ccccc1-c1csc(NC(=O)c2ccccc2)n1 ZINC000000151142 563225352 /nfs/dbraw/zinc/22/53/52/563225352.db2.gz WPFJQNNKHJVAFE-UHFFFAOYSA-N 0 0 324.405 4.461 50 0 DIAARN CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1C ZINC000000156941 563225625 /nfs/dbraw/zinc/22/56/25/563225625.db2.gz PMRFWCJXRSRVPS-UHFFFAOYSA-N 0 0 319.360 4.326 50 0 DIAARN c1ccc2c(c1)cccc2-c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000000156652 563225789 /nfs/dbraw/zinc/22/57/89/563225789.db2.gz ADVRHFNTKDFTSY-UHFFFAOYSA-N 0 0 316.316 4.286 50 0 DIAARN CC(C)COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000000168267 563226278 /nfs/dbraw/zinc/22/62/78/563226278.db2.gz HQOKLNSAGKMNMX-OAHLLOKOSA-N 0 0 309.409 4.313 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)NC2Cc3ccccc3C2)cc1 ZINC000000171380 563226793 /nfs/dbraw/zinc/22/67/93/563226793.db2.gz GQVVYMCUNFBQIW-UHFFFAOYSA-N 0 0 308.425 4.273 50 0 DIAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 ZINC000000171412 563227059 /nfs/dbraw/zinc/22/70/59/563227059.db2.gz USYARCNZPULBOG-LBPRGKRZSA-N 0 0 312.800 4.182 50 0 DIAARN O=C(Nc1csc(Cc2ccsc2)n1)Oc1ccccc1 ZINC000000172353 563227327 /nfs/dbraw/zinc/22/73/27/563227327.db2.gz HKGPOTCSRKAEPH-UHFFFAOYSA-N 0 0 316.407 4.406 50 0 DIAARN CC1(C)CC(=O)C(C2c3ccccc3Oc3ccccc32)C(=O)C1 ZINC000000174855 563227763 /nfs/dbraw/zinc/22/77/63/563227763.db2.gz KAWCYBKXMCNUAR-UHFFFAOYSA-N 0 0 320.388 4.499 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1 ZINC000000190835 563229111 /nfs/dbraw/zinc/22/91/11/563229111.db2.gz LPFPTOINTRTVAY-RIYZIHGNSA-N 0 0 318.159 4.338 50 0 DIAARN O=C(NC(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1 ZINC000000215178 563230759 /nfs/dbraw/zinc/23/07/59/563230759.db2.gz SPZVLXDJVNKVMH-UHFFFAOYSA-N 0 0 324.767 4.455 50 0 DIAARN Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccncc3)o2)c1 ZINC000000215050 563230896 /nfs/dbraw/zinc/23/08/96/563230896.db2.gz VYTRUHMGFSNSKK-UHFFFAOYSA-N 0 0 322.364 4.123 50 0 DIAARN O=C(c1ccccc1)N1CCC(=O)c2cc3ccccc3cc21 ZINC000000236622 563232049 /nfs/dbraw/zinc/23/20/49/563232049.db2.gz CROMBGXQSNKRBR-UHFFFAOYSA-N 0 0 301.345 4.073 50 0 DIAARN CCOc1cc(C=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000000245055 563233309 /nfs/dbraw/zinc/23/33/09/563233309.db2.gz HEOBYTMWSRWZBK-UHFFFAOYSA-N 0 0 320.344 4.270 50 0 biogenic DIAARN C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000000247046 563233516 /nfs/dbraw/zinc/23/35/16/563233516.db2.gz MCCXVGYSWHWHDK-AWEZNQCLSA-N 0 0 317.454 4.024 50 0 DIAARN Cc1ccc(C)c(N2C(=O)C[C@H](Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000000249088 563233611 /nfs/dbraw/zinc/23/36/11/563233611.db2.gz JMIBHLWQHPXEQE-SFHVURJKSA-N 0 0 321.420 4.042 50 0 DIAARN COc1ccc(CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000258917 563233877 /nfs/dbraw/zinc/23/38/77/563233877.db2.gz AOLJMAIDLOFCMU-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 biogenic DIAARN CCOc1ccccc1C(=O)Nc1ccccc1Br ZINC000000258928 563234265 /nfs/dbraw/zinc/23/42/65/563234265.db2.gz FGJWGVOURMNVFL-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000262113 563234801 /nfs/dbraw/zinc/23/48/01/563234801.db2.gz VOZDBZZSHNSZNC-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN CCOc1cc(-c2ccc(O)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000277991 563235162 /nfs/dbraw/zinc/23/51/62/563235162.db2.gz ZKPCUOIEEHWGOT-UHFFFAOYSA-N 0 0 310.349 4.181 50 0 biogenic DIAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(Br)cn2)C1(C)C ZINC000000291950 563236650 /nfs/dbraw/zinc/23/66/50/563236650.db2.gz AXIVSTHBJFCRNV-DGCLKSJQSA-N 0 0 323.234 4.021 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1C ZINC000000288429 563236693 /nfs/dbraw/zinc/23/66/93/563236693.db2.gz OHWBJEJHCKCLBY-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000000294149 563237023 /nfs/dbraw/zinc/23/70/23/563237023.db2.gz NJBFFFXCEDJEFE-UHFFFAOYSA-N 0 0 303.431 4.040 50 0 DIAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1 ZINC000000295559 563237236 /nfs/dbraw/zinc/23/72/36/563237236.db2.gz UNIBWNPQEXAMMO-UHFFFAOYSA-N 0 0 323.436 4.371 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000000304641 563238550 /nfs/dbraw/zinc/23/85/50/563238550.db2.gz DYCKTFSWJPZYLR-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl ZINC000000307620 563238995 /nfs/dbraw/zinc/23/89/95/563238995.db2.gz VHXGVVYLQDHIPP-UHFFFAOYSA-N 0 0 300.745 4.415 50 0 DIAARN CC(C)(C)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 ZINC000000308846 563239155 /nfs/dbraw/zinc/23/91/55/563239155.db2.gz XRAOAJTWUOCDEX-UHFFFAOYSA-N 0 0 318.420 4.462 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000000312033 563239424 /nfs/dbraw/zinc/23/94/24/563239424.db2.gz CEXGXUZEGRFXDI-CQSZACIVSA-N 0 0 313.397 4.226 50 0 DIAARN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)n1 ZINC000000310287 563239477 /nfs/dbraw/zinc/23/94/77/563239477.db2.gz XOMZIARGIYGRDS-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN CCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000000314186 563240095 /nfs/dbraw/zinc/24/00/95/563240095.db2.gz CFLZDSDKRJBOAW-UHFFFAOYSA-N 0 0 323.830 4.221 50 0 DIAARN COc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1 ZINC000000315646 563240137 /nfs/dbraw/zinc/24/01/37/563240137.db2.gz RXUYUUBEPFMEIN-UHFFFAOYSA-N 0 0 314.316 4.031 50 0 DIAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1C ZINC000000313881 563240199 /nfs/dbraw/zinc/24/01/99/563240199.db2.gz KQDPBXZZJOJIOE-UHFFFAOYSA-N 0 0 317.410 4.048 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1Cl ZINC000000314504 563240331 /nfs/dbraw/zinc/24/03/31/563240331.db2.gz OTXTUTMQJVGVPN-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccs1 ZINC000000317102 563240693 /nfs/dbraw/zinc/24/06/93/563240693.db2.gz MFTIGMUEIADPNR-UHFFFAOYSA-N 0 0 306.818 4.254 50 0 DIAARN Cc1cccn2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc12 ZINC000000319486 563240785 /nfs/dbraw/zinc/24/07/85/563240785.db2.gz HUSVZDTWLCDMSY-UHFFFAOYSA-N 0 0 307.397 4.294 50 0 DIAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000326880 563241402 /nfs/dbraw/zinc/24/14/02/563241402.db2.gz MWRAIVPRFCPRRB-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN O=C(NCCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000000341793 563242107 /nfs/dbraw/zinc/24/21/07/563242107.db2.gz VCOLTNFYFOLGAO-UHFFFAOYSA-N 0 0 309.796 4.466 50 0 DIAARN CC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000000345742 563242857 /nfs/dbraw/zinc/24/28/57/563242857.db2.gz PEYZSMZLBSGKLF-PXAZEXFGSA-N 0 0 316.426 4.383 50 0 DIAARN CCC(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1 ZINC000000350088 563243294 /nfs/dbraw/zinc/24/32/94/563243294.db2.gz LZEAUINFALZWIV-UHFFFAOYSA-N 0 0 323.421 4.288 50 0 DIAARN O=C(OCc1ccco1)C1c2ccccc2Oc2ccccc21 ZINC000000355442 563243698 /nfs/dbraw/zinc/24/36/98/563243698.db2.gz NFTQVPUPBCLAHD-UHFFFAOYSA-N 0 0 306.317 4.261 50 0 DIAARN Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000000357419 563243800 /nfs/dbraw/zinc/24/38/00/563243800.db2.gz HEWWWSUXQBFVMX-UHFFFAOYSA-N 0 0 324.424 4.278 50 0 DIAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000000354414 563243809 /nfs/dbraw/zinc/24/38/09/563243809.db2.gz OEIFVAZPDUQUCD-UHFFFAOYSA-N 0 0 323.845 4.438 50 0 DIAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000000354398 563243836 /nfs/dbraw/zinc/24/38/36/563243836.db2.gz BQRZBROLZJDECZ-UHFFFAOYSA-N 0 0 323.845 4.438 50 0 DIAARN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000000359496 563244196 /nfs/dbraw/zinc/24/41/96/563244196.db2.gz FGBMPIIJMBXYEM-UHFFFAOYSA-N 0 0 316.401 4.076 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000000363060 563244745 /nfs/dbraw/zinc/24/47/45/563244745.db2.gz RZSSXFHJGBKGBG-LBPRGKRZSA-N 0 0 312.394 4.011 50 0 DIAARN O=C(Nc1ccc(F)cc1)Nc1ccccc1Br ZINC000000361364 563244928 /nfs/dbraw/zinc/24/49/28/563244928.db2.gz JVOCHXLDMUBEIB-UHFFFAOYSA-N 0 0 309.138 4.232 50 0 DIAARN COc1cc(OC)c(NC(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000000363716 563245260 /nfs/dbraw/zinc/24/52/60/563245260.db2.gz HGKGRVIDPNWGQB-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN CCN(C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000365999 563245977 /nfs/dbraw/zinc/24/59/77/563245977.db2.gz UERPFWQHXQZQJW-UHFFFAOYSA-N 0 0 304.187 4.116 50 0 DIAARN Cc1ccc(O)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000000367812 563246396 /nfs/dbraw/zinc/24/63/96/563246396.db2.gz FFJPRFLOIDXYDL-UHFFFAOYSA-N 0 0 307.802 4.085 50 0 DIAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(C)cc(C)c1 ZINC000000371380 563246485 /nfs/dbraw/zinc/24/64/85/563246485.db2.gz OZNDUYSQVWQOTH-UHFFFAOYSA-N 0 0 317.410 4.021 50 0 DIAARN CCOc1ccccc1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000376245 563246930 /nfs/dbraw/zinc/24/69/30/563246930.db2.gz RLSDZUAEXLZLQO-UHFFFAOYSA-N 0 0 324.207 4.322 50 0 DIAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC(C)C ZINC000000376293 563247154 /nfs/dbraw/zinc/24/71/54/563247154.db2.gz CIDMJDOEQHVPNH-UHFFFAOYSA-N 0 0 317.410 4.186 50 0 DIAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000000375433 563247155 /nfs/dbraw/zinc/24/71/55/563247155.db2.gz PMYXDASSKJPEEW-UHFFFAOYSA-N 0 0 315.829 4.428 50 0 DIAARN CC(C)(C)Cc1nnc(NC(=O)CCCc2ccccc2)s1 ZINC000000380368 563247496 /nfs/dbraw/zinc/24/74/96/563247496.db2.gz KGPOFCIFMNKLFE-UHFFFAOYSA-N 0 0 317.458 4.088 50 0 DIAARN 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Cc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000000566884 563267347 /nfs/dbraw/zinc/26/73/47/563267347.db2.gz DJYYDPBOFYHVFS-UHFFFAOYSA-N 0 0 315.221 4.276 50 0 DIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)c(C)c1 ZINC000000571022 563267812 /nfs/dbraw/zinc/26/78/12/563267812.db2.gz FWPQWAYWTCQSAJ-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN COC(=O)c1ccccc1NC(=O)Nc1ccc2ccccc2c1 ZINC000000609287 563268381 /nfs/dbraw/zinc/26/83/81/563268381.db2.gz MCXNQBVQAKINJX-UHFFFAOYSA-N 0 0 320.348 4.270 50 0 DIAARN CCOc1ccccc1NC(=S)Nc1cc(F)ccc1C ZINC000000610875 563268723 /nfs/dbraw/zinc/26/87/23/563268723.db2.gz KORMUHSEDVVPHK-UHFFFAOYSA-N 0 0 304.390 4.342 50 0 DIAARN CO[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000609708 563268815 /nfs/dbraw/zinc/26/88/15/563268815.db2.gz KHJLURTTWWTHPM-CQSZACIVSA-N 0 0 310.180 4.320 50 0 DIAARN CCOc1ccccc1NC(=O)NCc1ccccc1Cl ZINC000000611568 563268941 /nfs/dbraw/zinc/26/89/41/563268941.db2.gz MAKPHGJOPDWAQU-UHFFFAOYSA-N 0 0 304.777 4.060 50 0 DIAARN CCOc1ccc(NCc2ccc(Br)cc2)cc1 ZINC000000613252 563269379 /nfs/dbraw/zinc/26/93/79/563269379.db2.gz OREYZPRZWNHQKL-UHFFFAOYSA-N 0 0 306.203 4.460 50 0 DIAARN Cc1cccc2c(=O)oc(-c3ccc(Cl)c(Cl)c3)nc12 ZINC000000614153 563269396 /nfs/dbraw/zinc/26/93/96/563269396.db2.gz BPACTKUOSFXGCQ-UHFFFAOYSA-N 0 0 306.148 4.470 50 0 DIAARN CO[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000000612248 563269455 /nfs/dbraw/zinc/26/94/55/563269455.db2.gz IQTDSHKHJQIECX-CQSZACIVSA-N 0 0 309.287 4.032 50 0 DIAARN CC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)c1cc(C)ccc1O ZINC000000615927 563269991 /nfs/dbraw/zinc/26/99/91/563269991.db2.gz PJBIDBGHDIJLDC-WBVHZDCISA-N 0 0 311.425 4.137 50 0 DIAARN CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000000614941 563270027 /nfs/dbraw/zinc/27/00/27/563270027.db2.gz SPNCBPLPRYILNJ-UHFFFAOYSA-N 0 0 316.445 4.078 50 0 DIAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccccc1 ZINC000000617599 563270150 /nfs/dbraw/zinc/27/01/50/563270150.db2.gz ZNJJBPWVRMXZDC-CYBMUJFWSA-N 0 0 305.381 4.319 50 0 DIAARN COCc1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000000616971 563270154 /nfs/dbraw/zinc/27/01/54/563270154.db2.gz OEBQAJWFNXZXSS-UHFFFAOYSA-N 0 0 305.377 4.167 50 0 DIAARN COc1ccc(NC(=S)Nc2ccc(Cl)cc2C)cc1 ZINC000000619181 563270570 /nfs/dbraw/zinc/27/05/70/563270570.db2.gz DHKDESINLHJYEW-UHFFFAOYSA-N 0 0 306.818 4.466 50 0 DIAARN Cc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2C=O)cc1 ZINC000000732176 563271712 /nfs/dbraw/zinc/27/17/12/563271712.db2.gz JCTPIZDEKWCZAU-UHFFFAOYSA-N 0 0 314.747 4.453 50 0 DIAARN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000096026363 563271804 /nfs/dbraw/zinc/27/18/04/563271804.db2.gz PHHFRLQOOMKCHB-AWEZNQCLSA-N 0 0 316.228 4.084 50 0 DIAARN CCCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 ZINC000000858588 563272213 /nfs/dbraw/zinc/27/22/13/563272213.db2.gz BHQSNFLHRDLPEB-UHFFFAOYSA-N 0 0 312.340 4.464 50 0 DIAARN Cc1c(OCc2cccc(F)c2)ccc2c3c(c(=O)oc12)CCC3 ZINC000000859617 563272376 /nfs/dbraw/zinc/27/23/76/563272376.db2.gz OCTDOKZKWROSNE-UHFFFAOYSA-N 0 0 324.351 4.308 50 0 DIAARN O=C(NCCc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000000859802 563272569 /nfs/dbraw/zinc/27/25/69/563272569.db2.gz ZQLLDOPRORIJFA-UHFFFAOYSA-N 0 0 312.171 4.105 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 ZINC000000860385 563273268 /nfs/dbraw/zinc/27/32/68/563273268.db2.gz KTFACLGYBQMEQR-AWEZNQCLSA-N 0 0 301.817 4.020 50 0 DIAARN CCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000000884875 563273316 /nfs/dbraw/zinc/27/33/16/563273316.db2.gz CPMBLSFBUPSHGD-UHFFFAOYSA-N 0 0 300.745 4.497 50 0 DIAARN Cc1ccc(N[C@@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 ZINC000001026094 563274876 /nfs/dbraw/zinc/27/48/76/563274876.db2.gz MTODMOMVFBGAMJ-NRFANRHFSA-N 0 0 315.372 4.479 50 0 DIAARN COc1cccc(-c2cn3nc(-c4cccs4)sc3n2)c1 ZINC000001036571 563274941 /nfs/dbraw/zinc/27/49/41/563274941.db2.gz XTGTWCLXAMUWNL-UHFFFAOYSA-N 0 0 313.407 4.195 50 0 DIAARN CCc1ccccc1-n1ncc(C(=O)Nc2cccc(C)c2)c1C ZINC000001018244 563274957 /nfs/dbraw/zinc/27/49/57/563274957.db2.gz WSUKIMMPCYTPDP-UHFFFAOYSA-N 0 0 319.408 4.304 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)C(C)(C)C ZINC000001054099 563275987 /nfs/dbraw/zinc/27/59/87/563275987.db2.gz FUMDZKCSLBCSNQ-LLVKDONJSA-N 0 0 320.820 4.468 50 0 DIAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000001055211 563276424 /nfs/dbraw/zinc/27/64/24/563276424.db2.gz WAQBXQPTJBASAM-UHFFFAOYSA-N 0 0 300.210 4.027 50 0 DIAARN Cc1c(C)n(C(=O)CN2CCCc3ccccc32)c2ccccc12 ZINC000001067341 563276537 /nfs/dbraw/zinc/27/65/37/563276537.db2.gz QDUGMCVBEGLEKP-UHFFFAOYSA-N 0 0 318.420 4.351 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000001066932 563276616 /nfs/dbraw/zinc/27/66/16/563276616.db2.gz MKFNNFDTSVYVJV-AWEZNQCLSA-N 0 0 314.454 4.180 50 0 DIAARN CC(C)Oc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000001075460 563277132 /nfs/dbraw/zinc/27/71/32/563277132.db2.gz AIWQRRVYHNHKJF-INIZCTEOSA-N 0 0 311.425 4.225 50 0 DIAARN Cc1ccc(C(=O)Nc2sc(N)nc2-c2cccs2)cc1 ZINC000001105845 563277917 /nfs/dbraw/zinc/27/79/17/563277917.db2.gz NHHABJPWPOEQRP-UHFFFAOYSA-N 0 0 315.423 4.015 50 0 DIAARN Cc1nc(C)c([C@H](C)N(C)C(=O)CSc2ccccc2)s1 ZINC000071883140 563277973 /nfs/dbraw/zinc/27/79/73/563277973.db2.gz VDPLDAUHSZYSLE-LBPRGKRZSA-N 0 0 320.483 4.072 50 0 DIAARN CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000001204233 563279522 /nfs/dbraw/zinc/27/95/22/563279522.db2.gz MMUABXYELUYLET-UHFFFAOYSA-N 0 0 322.364 4.424 50 0 DIAARN CCOc1ccc(-c2n[nH]c(=S)n2[C@H]2C=CCCC2)cc1 ZINC000001247433 563280652 /nfs/dbraw/zinc/28/06/52/563280652.db2.gz AOKMKDDEPUFZDV-ZDUSSCGKSA-N 0 0 301.415 4.288 50 0 DIAARN CCCc1sc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1C ZINC000001247761 563280727 /nfs/dbraw/zinc/28/07/27/563280727.db2.gz CAZJTBASLUPZAR-UHFFFAOYSA-N 0 0 316.451 4.371 50 0 DIAARN Cc1ccccc1-c1nnc(NC(=O)Nc2ccccc2)s1 ZINC000001297899 563280854 /nfs/dbraw/zinc/28/08/54/563280854.db2.gz XOBKWFWCTQJCQK-UHFFFAOYSA-N 0 0 310.382 4.158 50 0 DIAARN O=Cc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 ZINC000001383977 563281530 /nfs/dbraw/zinc/28/15/30/563281530.db2.gz WLTMXRDVZHRKJE-UHFFFAOYSA-N 0 0 316.813 4.408 50 0 DIAARN Cc1cc(NNc2ccccc2)n2cc(-c3ccccc3)nc2n1 ZINC000001384174 563281580 /nfs/dbraw/zinc/28/15/80/563281580.db2.gz BWZCUSXRPVUJNQ-UHFFFAOYSA-N 0 0 315.380 4.144 50 0 DIAARN CNc1nc(SCc2ccccc2Cl)nc2c1CCCC2 ZINC000001398531 563282676 /nfs/dbraw/zinc/28/26/76/563282676.db2.gz RJPXJJHSZBDRMN-UHFFFAOYSA-N 0 0 319.861 4.343 50 0 DIAARN CC(=O)[C@@H](C)Sc1ncc2c(n1)-c1cc(C)ccc1SC2 ZINC000001403615 563282718 /nfs/dbraw/zinc/28/27/18/563282718.db2.gz QSSPLYAJXPXFLD-LLVKDONJSA-N 0 0 316.451 4.127 50 0 DIAARN Cc1cc(-c2noc(-c3ccc(F)cc3)n2)c2ccccc2n1 ZINC000001423711 563283328 /nfs/dbraw/zinc/28/33/28/563283328.db2.gz IGVFAENQBFYCHJ-UHFFFAOYSA-N 0 0 305.312 4.399 50 0 DIAARN COc1c(C)cc(NC(=O)CSCc2ccccc2)cc1C ZINC000001428442 563283479 /nfs/dbraw/zinc/28/34/79/563283479.db2.gz JFCYWFMADIJICP-UHFFFAOYSA-N 0 0 315.438 4.184 50 0 DIAARN CCc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2n1 ZINC000001456859 563284166 /nfs/dbraw/zinc/28/41/66/563284166.db2.gz UNLZCAPGXLBAOF-UHFFFAOYSA-N 0 0 316.404 4.390 50 0 DIAARN COc1ccc(-c2csc(C(=O)NC3CCCCC3)c2)cc1 ZINC000001501493 563284792 /nfs/dbraw/zinc/28/47/92/563284792.db2.gz XLYKRDIUQZNUSZ-UHFFFAOYSA-N 0 0 315.438 4.486 50 0 DIAARN CCCCN(CC)c1ncnc2ccc(Br)cc21 ZINC000001766180 563295222 /nfs/dbraw/zinc/29/52/22/563295222.db2.gz XGTDEUHICAOTRE-UHFFFAOYSA-N 0 0 308.223 4.019 50 0 DIAARN CCOc1ccc(NC(=O)CCCOc2ccccc2C)cc1 ZINC000001772480 563295273 /nfs/dbraw/zinc/29/52/73/563295273.db2.gz SAZMJWNMRAYWDX-UHFFFAOYSA-N 0 0 313.397 4.191 50 0 DIAARN Cc1cccc(OCCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000001775858 563295703 /nfs/dbraw/zinc/29/57/03/563295703.db2.gz NLSHRSCEVFIXMU-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001794263 563295751 /nfs/dbraw/zinc/29/57/51/563295751.db2.gz GDMWLOSLUZXJTN-UHFFFAOYSA-N 0 0 323.845 4.483 50 0 DIAARN Cc1cccc(OCCCC(=O)Nc2ccccc2Cl)c1 ZINC000001775856 563295866 /nfs/dbraw/zinc/29/58/66/563295866.db2.gz FLWBSTBKJIZOMV-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN COc1ccc(NC(=O)CCCOc2ccccc2)cc1Cl ZINC000001777410 563295944 /nfs/dbraw/zinc/29/59/44/563295944.db2.gz JYRAEJJAHRLRAT-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN CCCCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001808040 563296437 /nfs/dbraw/zinc/29/64/37/563296437.db2.gz QPTRZIWUWCNSCT-UHFFFAOYSA-N 0 0 321.376 4.388 50 0 DIAARN Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000001913961 563296791 /nfs/dbraw/zinc/29/67/91/563296791.db2.gz ZXGUCEIYOHPCLG-KRWDZBQOSA-N 0 0 311.425 4.340 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000001886264 563296800 /nfs/dbraw/zinc/29/68/00/563296800.db2.gz JNJYUXLGFHHEIT-UHFFFAOYSA-N 0 0 311.381 4.204 50 0 DIAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C)C ZINC000001986350 563297381 /nfs/dbraw/zinc/29/73/81/563297381.db2.gz BEIMMCOUFFMNHK-UHFFFAOYSA-N 0 0 317.410 4.186 50 0 DIAARN CC(=O)Nc1ccc2c(c1)-c1ccc(NC(C)=O)c3cccc-2c13 ZINC000002059788 563298758 /nfs/dbraw/zinc/29/87/58/563298758.db2.gz IWAOFYQSLXUQQG-UHFFFAOYSA-N 0 0 316.360 4.404 50 0 DIAARN CCCCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl ZINC000002073568 563299411 /nfs/dbraw/zinc/29/94/11/563299411.db2.gz BVGKZVRQUOWPAV-UHFFFAOYSA-N 0 0 324.852 4.245 50 0 DIAARN CCCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000002080118 563299439 /nfs/dbraw/zinc/29/94/39/563299439.db2.gz VJPAJSYCTZRHLF-NSHDSACASA-N 0 0 318.244 4.457 50 0 DIAARN CCC(=O)[C@@H](C)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1 ZINC000002074649 563299563 /nfs/dbraw/zinc/29/95/63/563299563.db2.gz PGMKJVNNBZNCIM-BEFAXECRSA-N 0 0 309.409 4.115 50 0 DIAARN CCCCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000002080117 563299652 /nfs/dbraw/zinc/29/96/52/563299652.db2.gz VJPAJSYCTZRHLF-LLVKDONJSA-N 0 0 318.244 4.457 50 0 DIAARN CSc1cccc(NC(=O)Oc2ccc(C(C)=O)cc2)c1 ZINC000002165387 563300959 /nfs/dbraw/zinc/30/09/59/563300959.db2.gz YAQQFCYFSSIVGU-UHFFFAOYSA-N 0 0 301.367 4.222 50 0 DIAARN C[C@H]1C[C@@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 ZINC000071890746 563301042 /nfs/dbraw/zinc/30/10/42/563301042.db2.gz QOLXEOIKOMEGHY-CABZTGNLSA-N 0 0 310.357 4.054 50 0 DIAARN O=C(Nc1ccc(F)cc1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002181536 563301386 /nfs/dbraw/zinc/30/13/86/563301386.db2.gz VOXPGTVEUOUZQV-UONOGXRCSA-N 0 0 324.182 4.352 50 0 DIAARN CCCC[C@H](CC)CNC(=O)c1ccc(Br)cc1 ZINC000002181349 563301465 /nfs/dbraw/zinc/30/14/65/563301465.db2.gz WLIJJWRKIZRSAT-LBPRGKRZSA-N 0 0 312.251 4.395 50 0 DIAARN Clc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 ZINC000002179521 563301596 /nfs/dbraw/zinc/30/15/96/563301596.db2.gz KOSUUJNKQCCUBR-UHFFFAOYSA-N 0 0 314.772 4.402 50 0 DIAARN CCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002232884 563302189 /nfs/dbraw/zinc/30/21/89/563302189.db2.gz WMJIKSKVVSLNIH-UHFFFAOYSA-N 0 0 320.440 4.257 50 0 DIAARN CCCCC(=O)Nc1nn(CC)c2nc3c(C)cccc3cc12 ZINC000002367964 563303050 /nfs/dbraw/zinc/30/30/50/563303050.db2.gz KRPOSOCRMCLWBS-UHFFFAOYSA-N 0 0 310.401 4.042 50 0 DIAARN O=C(c1ccc(CN2CCC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514639 563305209 /nfs/dbraw/zinc/30/52/09/563305209.db2.gz VVNOUUGCFHINAS-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN O=C(c1cccc(CN2CCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000002515133 563306148 /nfs/dbraw/zinc/30/61/48/563306148.db2.gz CIMXLOKWUQCXTR-UHFFFAOYSA-N 0 0 319.326 4.142 50 0 DIAARN O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CC=CC1 ZINC000002515900 563306245 /nfs/dbraw/zinc/30/62/45/563306245.db2.gz CCTUAVNYKHZUFE-UHFFFAOYSA-N 0 0 315.775 4.082 50 0 DIAARN CCOC(=O)c1cccc(C(=O)CCc2cccc(Cl)c2)c1 ZINC000002517223 563306661 /nfs/dbraw/zinc/30/66/61/563306661.db2.gz FNJMBCOVBJYVFV-UHFFFAOYSA-N 0 0 316.784 4.332 50 0 DIAARN CCOC(=O)c1ccc(C(=O)CCc2c(C)cccc2C)cc1 ZINC000002517587 563307242 /nfs/dbraw/zinc/30/72/42/563307242.db2.gz UUGAPKWPBAFTID-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN F/C(=C(/F)C(F)(F)Br)C(F)(F)Br ZINC000002525254 563307768 /nfs/dbraw/zinc/30/77/68/563307768.db2.gz BDJHSJLEJXRSSG-OWOJBTEDSA-N 0 0 321.840 4.112 50 0 DIAARN Cc1nc2sc3c(c2c(N2CCCCC2)n1)CC[C@H](C)C3 ZINC000002551542 563308206 /nfs/dbraw/zinc/30/82/06/563308206.db2.gz UVVXBGJBXMYZHI-NSHDSACASA-N 0 0 301.459 4.115 50 0 DIAARN OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000002544974 563308421 /nfs/dbraw/zinc/30/84/21/563308421.db2.gz VBLNIBGMKUEXDH-UHFFFAOYSA-N 0 0 319.191 4.338 50 0 DIAARN O=C(c1ccc(F)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000002557109 563309000 /nfs/dbraw/zinc/30/90/00/563309000.db2.gz LLJNTLUXOZPFQB-UHFFFAOYSA-N 0 0 322.310 4.427 50 0 DIAARN Cc1ccccc1COc1ccc(Br)cc1C=O ZINC000002558296 563309008 /nfs/dbraw/zinc/30/90/08/563309008.db2.gz VBAVGUUEKBAMHX-UHFFFAOYSA-N 0 0 305.171 4.149 50 0 DIAARN COc1ccc(C=O)cc1COc1ccc(Cl)cc1Cl ZINC000002573199 563309762 /nfs/dbraw/zinc/30/97/62/563309762.db2.gz BGEZKPYVFALTSV-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN Cc1cccc(NC(=O)c2c(N)sc3c2CCCCC3)c1 ZINC000002573416 563309924 /nfs/dbraw/zinc/30/99/24/563309924.db2.gz ASHWMIIMDDBZNH-UHFFFAOYSA-N 0 0 300.427 4.160 50 0 DIAARN CCCCCOc1ccc(C(=O)CCCC(=O)OCC)cc1 ZINC000002580401 563310176 /nfs/dbraw/zinc/31/01/76/563310176.db2.gz PLGFBDKHVOJADC-UHFFFAOYSA-N 0 0 306.402 4.172 50 0 DIAARN Cc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000002592594 563310352 /nfs/dbraw/zinc/31/03/52/563310352.db2.gz FNTCJHFOEALLPD-UHFFFAOYSA-N 0 0 305.175 4.402 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1 ZINC000002739653 563311802 /nfs/dbraw/zinc/31/18/02/563311802.db2.gz KGXKRSVOFNDCAE-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN O=C(/C=C/c1cccc(Cl)c1)NCCCCc1ccccc1 ZINC000002752595 563312402 /nfs/dbraw/zinc/31/24/02/563312402.db2.gz FFPSQYBSKWURRT-OUKQBFOZSA-N 0 0 313.828 4.492 50 0 DIAARN O=C(Nc1ccon1)c1sc2cccc(Cl)c2c1Cl ZINC000002762870 563312869 /nfs/dbraw/zinc/31/28/69/563312869.db2.gz TZJLUVSYEHIKAJ-UHFFFAOYSA-N 0 0 313.165 4.448 50 0 DIAARN CCCC[C@@H](CC)CNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000002774853 563312952 /nfs/dbraw/zinc/31/29/52/563312952.db2.gz QJMOHANEQXQQLC-MRXNPFEDSA-N 0 0 311.491 4.107 50 0 DIAARN O=C(NCC1CC1)c1cc2sccc2n1CCc1ccccc1 ZINC000034680237 563313091 /nfs/dbraw/zinc/31/30/91/563313091.db2.gz JGPJQWUYNIDYID-UHFFFAOYSA-N 0 0 324.449 4.085 50 0 DIAARN O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002767679 563313094 /nfs/dbraw/zinc/31/30/94/563313094.db2.gz FJMGDTGFZWADEC-UHFFFAOYSA-N 0 0 313.159 4.454 50 0 DIAARN Cc1cc(C)cc(CSCC(=O)NC2CCCCCC2)c1 ZINC000002813133 563313486 /nfs/dbraw/zinc/31/34/86/563313486.db2.gz YQFRIIWTJZOAKI-UHFFFAOYSA-N 0 0 305.487 4.376 50 0 DIAARN Cc1ccc(CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000002832480 563314154 /nfs/dbraw/zinc/31/41/54/563314154.db2.gz QRAFAGWKPLWJNU-UHFFFAOYSA-N 0 0 318.214 4.247 50 0 DIAARN Cc1ccc(C(=O)NCCOc2c(C)cccc2C)cc1Cl ZINC000002839723 563314319 /nfs/dbraw/zinc/31/43/19/563314319.db2.gz URXHURSRGFEWPM-UHFFFAOYSA-N 0 0 317.816 4.074 50 0 DIAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 ZINC000002835907 563314337 /nfs/dbraw/zinc/31/43/37/563314337.db2.gz USYARCNZPULBOG-GFCCVEGCSA-N 0 0 312.800 4.182 50 0 DIAARN Clc1ccc(-n2ncc3c2ncnc3Nc2ccccc2)cc1 ZINC000002830149 563314392 /nfs/dbraw/zinc/31/43/92/563314392.db2.gz YHLGYBYDIJAKNC-UHFFFAOYSA-N 0 0 321.771 4.213 50 0 DIAARN CCCSc1nc2sc3c(c2c2nnc(C)n21)CCCC3 ZINC000002867312 563315405 /nfs/dbraw/zinc/31/54/05/563315405.db2.gz ZPBAQNWWTWTFMC-UHFFFAOYSA-N 0 0 318.471 4.028 50 0 DIAARN Fc1ccccc1OCCOc1ccc(Cl)c2cccnc12 ZINC000002863148 563315457 /nfs/dbraw/zinc/31/54/57/563315457.db2.gz MMRRFJCNYPHTFH-UHFFFAOYSA-N 0 0 317.747 4.485 50 0 DIAARN COc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1 ZINC000002866244 563315528 /nfs/dbraw/zinc/31/55/28/563315528.db2.gz DAZMCWBCPQJJHI-UHFFFAOYSA-N 0 0 319.364 4.086 50 0 DIAARN CCC(=O)c1ccc(OCCCCn2cnc3ccccc32)cc1 ZINC000002868270 563315769 /nfs/dbraw/zinc/31/57/69/563315769.db2.gz NBHOCICQNBPBAH-UHFFFAOYSA-N 0 0 322.408 4.488 50 0 DIAARN CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 ZINC000002874023 563315994 /nfs/dbraw/zinc/31/59/94/563315994.db2.gz ASFXOPCVODXQIM-UHFFFAOYSA-N 0 0 306.287 4.315 50 0 DIAARN CCOc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000002873816 563316045 /nfs/dbraw/zinc/31/60/45/563316045.db2.gz XSSCUTLXQPTKGH-UHFFFAOYSA-N 0 0 316.357 4.086 50 0 DIAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1F ZINC000002874541 563316236 /nfs/dbraw/zinc/31/62/36/563316236.db2.gz KRYFSUGWOSGIKF-UHFFFAOYSA-N 0 0 318.779 4.332 50 0 DIAARN CCOc1ccc(OCCCOc2ccccc2C(C)=O)cc1 ZINC000002984966 563319210 /nfs/dbraw/zinc/31/92/10/563319210.db2.gz XTEWRZVDROZHLC-UHFFFAOYSA-N 0 0 314.381 4.136 50 0 DIAARN COc1ccccc1OCCOc1cc(Cl)ccc1Cl ZINC000002985324 563319255 /nfs/dbraw/zinc/31/92/55/563319255.db2.gz MHLCNMXYJNQHFG-UHFFFAOYSA-N 0 0 313.180 4.460 50 0 DIAARN CC(C)CCC[C@H](C)NC(=O)c1ccccc1Br ZINC000002989467 563319920 /nfs/dbraw/zinc/31/99/20/563319920.db2.gz JINJULVHTZAPHG-LBPRGKRZSA-N 0 0 312.251 4.394 50 0 DIAARN COc1ccc(-c2c(C)oc3c(C)c(OC)ccc3c2=O)cc1 ZINC000002996374 563320684 /nfs/dbraw/zinc/32/06/84/563320684.db2.gz CJGYENJZOGISNH-UHFFFAOYSA-N 0 0 310.349 4.094 50 0 DIAARN O=C(NCc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003091238 563321603 /nfs/dbraw/zinc/32/16/03/563321603.db2.gz NBUHZMWYTRUEFD-UHFFFAOYSA-N 0 0 318.682 4.274 50 0 DIAARN Cc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccc(F)cc1 ZINC000034794733 563323921 /nfs/dbraw/zinc/32/39/21/563323921.db2.gz FOLFIGAQWKHUIP-UHFFFAOYSA-N 0 0 323.371 4.393 50 0 DIAARN CCCn1nc(C(=O)Nc2cccc(C)c2)cc1-c1ccco1 ZINC000034902286 563325277 /nfs/dbraw/zinc/32/52/77/563325277.db2.gz SSDICRKAZNDKTB-UHFFFAOYSA-N 0 0 309.369 4.114 50 0 DIAARN CCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(CC)n1 ZINC000034902004 563325330 /nfs/dbraw/zinc/32/53/30/563325330.db2.gz MBSGPZQNLXTCMM-UHFFFAOYSA-N 0 0 313.445 4.007 50 0 DIAARN Clc1ccc2[nH]c(SCc3nnc(C4CCC4)o3)nc2c1 ZINC000071893875 563325739 /nfs/dbraw/zinc/32/57/39/563325739.db2.gz RQPJDHFABJFZQR-UHFFFAOYSA-N 0 0 320.805 4.159 50 0 DIAARN Cc1cc(CNC(=O)CCc2ccc(Cl)cc2)ccc1F ZINC000010552682 563326118 /nfs/dbraw/zinc/32/61/18/563326118.db2.gz YWRXFFVQIWQJIP-UHFFFAOYSA-N 0 0 305.780 4.037 50 0 DIAARN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000004865853 563328261 /nfs/dbraw/zinc/32/82/61/563328261.db2.gz BWAKUJQKHLRTND-CQSZACIVSA-N 0 0 312.388 4.457 50 0 DIAARN COc1ccc(C(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000006230138 563331935 /nfs/dbraw/zinc/33/19/35/563331935.db2.gz MGDOYQAKOVCAJL-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CCC(C)(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000071909290 563333406 /nfs/dbraw/zinc/33/34/06/563333406.db2.gz VQRKKVQHEUSRDW-OAQYLSRUSA-N 0 0 309.475 4.109 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000006745622 563334017 /nfs/dbraw/zinc/33/40/17/563334017.db2.gz FWFKRVHJRZKDHQ-INIZCTEOSA-N 0 0 300.789 4.181 50 0 DIAARN CC1C[C@H](C)N(C(=O)c2cc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000006872610 563334476 /nfs/dbraw/zinc/33/44/76/563334476.db2.gz YGXSIECDCBRGFF-STQMWFEESA-N 0 0 316.376 4.130 50 0 DIAARN O=C(Cc1cnc2ccccc2c1)N(Cc1ccsc1)C1CC1 ZINC000071911661 563334694 /nfs/dbraw/zinc/33/46/94/563334694.db2.gz VPYQMCNCVMEASZ-UHFFFAOYSA-N 0 0 322.433 4.030 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000006925925 563335346 /nfs/dbraw/zinc/33/53/46/563335346.db2.gz VPZXJXSCXIOZAU-UHFFFAOYSA-N 0 0 313.706 4.289 50 0 DIAARN COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000002709817 563339118 /nfs/dbraw/zinc/33/91/18/563339118.db2.gz VSUUINVWYMYQJO-UHFFFAOYSA-N 0 0 323.348 4.120 50 0 DIAARN O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000002887353 563339379 /nfs/dbraw/zinc/33/93/79/563339379.db2.gz NXWZNTXKAMMMAK-UHFFFAOYSA-N 0 0 309.793 4.351 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000007547553 563339412 /nfs/dbraw/zinc/33/94/12/563339412.db2.gz GEUIDNZIBORCNX-SFHVURJKSA-N 0 0 324.424 4.176 50 0 DIAARN Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccccc1F ZINC000002718326 563339720 /nfs/dbraw/zinc/33/97/20/563339720.db2.gz LWFFEMGITYMLJU-UHFFFAOYSA-N 0 0 314.385 4.346 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)NCCCCc1ccccc1 ZINC000002736497 563339884 /nfs/dbraw/zinc/33/98/84/563339884.db2.gz OYIYSNRBSQJVPE-UHFFFAOYSA-N 0 0 301.817 4.022 50 0 DIAARN CCc1nc([C@@H](C)Nc2cnn(CC)c2)oc1-c1ccccc1 ZINC000097377327 563340242 /nfs/dbraw/zinc/34/02/42/563340242.db2.gz KTTRTSSIQAICPD-CYBMUJFWSA-N 0 0 310.401 4.294 50 0 DIAARN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000002729103 563340543 /nfs/dbraw/zinc/34/05/43/563340543.db2.gz GYWXBHZRXDBPTC-AWNIVKPZSA-N 0 0 323.392 4.249 50 0 DIAARN CCn1nc(C)c2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002732312 563340891 /nfs/dbraw/zinc/34/08/91/563340891.db2.gz IDLPMESQCMCMED-UHFFFAOYSA-N 0 0 305.303 4.445 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000002764075 563341532 /nfs/dbraw/zinc/34/15/32/563341532.db2.gz XPXIICYRWDNJET-IAGOWNOFSA-N 0 0 311.425 4.257 50 0 DIAARN CCc1ccc([C@H](C)NC(=O)CCc2ccc(OC)cc2)cc1 ZINC000002760125 563341952 /nfs/dbraw/zinc/34/19/52/563341952.db2.gz ZBVNUGGXQQLCQM-HNNXBMFYSA-N 0 0 311.425 4.068 50 0 DIAARN O=C(NCc1ccccn1)c1sc2cc(F)ccc2c1Cl ZINC000007847605 563342813 /nfs/dbraw/zinc/34/28/13/563342813.db2.gz LCQZAIFYEXUVCM-UHFFFAOYSA-N 0 0 320.776 4.019 50 0 DIAARN CCOC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000007922639 563343462 /nfs/dbraw/zinc/34/34/62/563343462.db2.gz RFJXPLCMAONGCD-UHFFFAOYSA-N 0 0 319.360 4.269 50 0 DIAARN O=C(NCCSCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000002846168 563343468 /nfs/dbraw/zinc/34/34/68/563343468.db2.gz JSAVEDRWFJKFEU-UHFFFAOYSA-N 0 0 323.820 4.142 50 0 DIAARN CC[C@H](C)[C@H](N)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000007952021 563343485 /nfs/dbraw/zinc/34/34/85/563343485.db2.gz ALDQXBYSACIHTH-CABZTGNLSA-N 0 0 311.838 4.061 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000008315792 563346037 /nfs/dbraw/zinc/34/60/37/563346037.db2.gz TZZXFDWHCRXDLQ-UHFFFAOYSA-N 0 0 300.305 4.031 50 0 DIAARN COc1cc(C=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000008470286 563347205 /nfs/dbraw/zinc/34/72/05/563347205.db2.gz BRZNITXGYZSRTA-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1Cl ZINC000008479474 563347231 /nfs/dbraw/zinc/34/72/31/563347231.db2.gz XODCOFVAYDNVBF-AWEZNQCLSA-N 0 0 307.752 4.275 50 0 DIAARN O=C1c2c(-c3ccc(Cl)cc3)csc2N[C@@H]2CCCN12 ZINC000008739030 563349713 /nfs/dbraw/zinc/34/97/13/563349713.db2.gz CYPRSFVFWJZXMV-LBPRGKRZSA-N 0 0 304.802 4.056 50 0 DIAARN O=C(Nc1nnc(/C=C/c2ccccc2)s1)Nc1ccccc1 ZINC000009044277 563351573 /nfs/dbraw/zinc/35/15/73/563351573.db2.gz WURFELYUILOBLB-VAWYXSNFSA-N 0 0 322.393 4.353 50 0 DIAARN Fc1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000032540960 563352928 /nfs/dbraw/zinc/35/29/28/563352928.db2.gz ALKMBIXEONKULX-UHFFFAOYSA-N 0 0 318.149 4.275 50 0 in-vivo DIAARN CC(C)CC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000009259128 563352946 /nfs/dbraw/zinc/35/29/46/563352946.db2.gz MLBGEGLFVZAFEF-UHFFFAOYSA-N 0 0 324.424 4.243 50 0 DIAARN CN(C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2)c1ccccc1 ZINC000009597934 563353614 /nfs/dbraw/zinc/35/36/14/563353614.db2.gz YJSUHFPWIKGREK-ZDUSSCGKSA-N 0 0 312.413 4.102 50 0 DIAARN Cc1c(C(=O)c2cccc(Cl)c2)sc2[nH]c(=O)cc(C)c12 ZINC000009691945 563354008 /nfs/dbraw/zinc/35/40/08/563354008.db2.gz QNPHFCXCFGZFQT-UHFFFAOYSA-N 0 0 317.797 4.091 50 0 DIAARN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)CCC2 ZINC000010156896 563355075 /nfs/dbraw/zinc/35/50/75/563355075.db2.gz DWOBCNNYRCENCD-UHFFFAOYSA-N 0 0 321.302 4.066 50 0 DIAARN Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 ZINC000010156605 563355410 /nfs/dbraw/zinc/35/54/10/563355410.db2.gz GHSVKPILAUORHO-CYBMUJFWSA-N 0 0 319.364 4.034 50 0 DIAARN CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cl)c1 ZINC000010443980 563356735 /nfs/dbraw/zinc/35/67/35/563356735.db2.gz FEBOQZJFYRKFOE-UHFFFAOYSA-N 0 0 317.772 4.077 50 0 DIAARN CC[C@H]1CCc2sc(C(=O)Nc3nc(C)cs3)cc2C1 ZINC000010554454 563357290 /nfs/dbraw/zinc/35/72/90/563357290.db2.gz PRKJMECHFQEJRF-JTQLQIEISA-N 0 0 306.456 4.280 50 0 DIAARN CC[C@@H]1CCc2sc(C(=O)Nc3nc(C)cs3)cc2C1 ZINC000010554453 563357611 /nfs/dbraw/zinc/35/76/11/563357611.db2.gz PRKJMECHFQEJRF-SNVBAGLBSA-N 0 0 306.456 4.280 50 0 DIAARN Cc1c([C@@H](C)NCc2ccccc2F)cnn1-c1ccccc1 ZINC000011709117 563359281 /nfs/dbraw/zinc/35/92/81/563359281.db2.gz GTRHNRJAAGYOFV-CQSZACIVSA-N 0 0 309.388 4.171 50 0 DIAARN O=C(c1ccoc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000011815184 563359333 /nfs/dbraw/zinc/35/93/33/563359333.db2.gz PTQNTFZNGIVREW-CQSZACIVSA-N 0 0 319.351 4.043 50 0 DIAARN Brc1ccc2nc(NCc3ccccn3)sc2c1 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563449803 /nfs/dbraw/zinc/44/98/03/563449803.db2.gz SBIPYCWCFYXKAA-OAHLLOKOSA-N 0 0 312.394 4.092 50 0 DIAARN COc1ccc(OC)c2c(C)cc(NCCc3ccccc3)nc12 ZINC000023634037 563450376 /nfs/dbraw/zinc/45/03/76/563450376.db2.gz FNYVVJGYOBJFMN-UHFFFAOYSA-N 0 0 322.408 4.215 50 0 DIAARN Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc(N)cc2)s1 ZINC000005331396 563450731 /nfs/dbraw/zinc/45/07/31/563450731.db2.gz AGLYUGBZTAQPNA-UHFFFAOYSA-N 0 0 301.802 4.295 50 0 DIAARN Cc1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000034803499 563451749 /nfs/dbraw/zinc/45/17/49/563451749.db2.gz BTLFMPNCGXWJLV-YXJHDRRASA-N 0 0 303.446 4.411 50 0 DIAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000035026120 563451817 /nfs/dbraw/zinc/45/18/17/563451817.db2.gz UBYJCOQOPFVSFQ-MMBKUXRPSA-N 0 0 313.400 4.495 50 0 DIAARN Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl ZINC000035655375 563453948 /nfs/dbraw/zinc/45/39/48/563453948.db2.gz BMWOLKMQGAUCJL-UHFFFAOYSA-N 0 0 304.180 4.428 50 0 DIAARN O=C(Nc1ccccc1F)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000032971456 563454118 /nfs/dbraw/zinc/45/41/18/563454118.db2.gz JBBQJEMZQUXFHT-UHFFFAOYSA-N 0 0 323.327 4.005 50 0 DIAARN O=C(c1cccc(F)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000036620566 563455923 /nfs/dbraw/zinc/45/59/23/563455923.db2.gz PJBQIXDUYDSJAS-INIZCTEOSA-N 0 0 303.764 4.456 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000036620459 563456077 /nfs/dbraw/zinc/45/60/77/563456077.db2.gz UCPQLZKYRXINET-QGZVFWFLSA-N 0 0 314.360 4.203 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000032978362 563456975 /nfs/dbraw/zinc/45/69/75/563456975.db2.gz JBUAXNSJHJIDJZ-CQSZACIVSA-N 0 0 306.365 4.141 50 0 DIAARN Cc1ccc(N2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000036724593 563457061 /nfs/dbraw/zinc/45/70/61/563457061.db2.gz ONUOZTZADWJJOL-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN O=C(NOCc1ccccc1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000032992441 563458583 /nfs/dbraw/zinc/45/85/83/563458583.db2.gz WZFSRKUZCMHTKR-UHFFFAOYSA-N 0 0 316.360 4.183 50 0 DIAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000032988684 563458842 /nfs/dbraw/zinc/45/88/42/563458842.db2.gz DWLLUABBNAPSFN-SWLSCSKDSA-N 0 0 319.401 4.018 50 0 DIAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000032988688 563458979 /nfs/dbraw/zinc/45/89/79/563458979.db2.gz DWLLUABBNAPSFN-WFASDCNBSA-N 0 0 319.401 4.018 50 0 DIAARN Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)nc1 ZINC000037868670 563459235 /nfs/dbraw/zinc/45/92/35/563459235.db2.gz SFHNRWOKOGSQSQ-UHFFFAOYSA-N 0 0 316.360 4.266 50 0 DIAARN CSCc1c2ccccc2oc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000032997997 563459912 /nfs/dbraw/zinc/45/99/12/563459912.db2.gz OKZFSHCCJSVVIK-CHWSQXEVSA-N 0 0 317.454 4.414 50 0 DIAARN CCOc1ccccc1CNC(=O)Nc1cccc(Cl)c1 ZINC000040663235 563460706 /nfs/dbraw/zinc/46/07/06/563460706.db2.gz RAZGSKVNVWFQGQ-UHFFFAOYSA-N 0 0 304.777 4.060 50 0 DIAARN CC(C)C(=O)NCc1ccc(-c2nc(C(C)C)cs2)cc1 ZINC000097938147 563460975 /nfs/dbraw/zinc/46/09/75/563460975.db2.gz OTKRKMWVCKKUHZ-UHFFFAOYSA-N 0 0 302.443 4.206 50 0 DIAARN CC(C)c1ccccc1NC(=O)[C@H](C)Sc1ccncc1 ZINC000119292403 563461595 /nfs/dbraw/zinc/46/15/95/563461595.db2.gz PABXACUKPAJJHE-ZDUSSCGKSA-N 0 0 300.427 4.324 50 0 DIAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccncc1 ZINC000119292281 563461619 /nfs/dbraw/zinc/46/16/19/563461619.db2.gz PABXACUKPAJJHE-CYBMUJFWSA-N 0 0 300.427 4.324 50 0 DIAARN Cc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000044676316 563462547 /nfs/dbraw/zinc/46/25/47/563462547.db2.gz KCLPJRVIAAZFFV-UHFFFAOYSA-N 0 0 309.291 4.361 50 0 DIAARN O=C(Cc1cccc(F)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072313218 563465370 /nfs/dbraw/zinc/46/53/70/563465370.db2.gz PJQYGPDOXISMKX-GOSISDBHSA-N 0 0 315.363 4.261 50 0 DIAARN Cc1cc2nc(NC(=O)[C@@H]3Cc4ccccc4S3)oc2c(C)c1 ZINC000072313707 563465586 /nfs/dbraw/zinc/46/55/86/563465586.db2.gz BPNTXTQIGYRIRC-HNNXBMFYSA-N 0 0 324.405 4.100 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1 ZINC000047326777 563466337 /nfs/dbraw/zinc/46/63/37/563466337.db2.gz CRWJPKZICFFHAD-AWEZNQCLSA-N 0 0 319.792 4.314 50 0 DIAARN CCSc1nnc(SC[C@@H]2OCCc3ccccc32)s1 ZINC000071908485 563468908 /nfs/dbraw/zinc/46/89/08/563468908.db2.gz LVKOEEQWNAHGOZ-LBPRGKRZSA-N 0 0 324.496 4.056 50 0 DIAARN BrC1(Br)C23CC=CCC12CC=CC3 ZINC000068568360 563469629 /nfs/dbraw/zinc/46/96/29/563469629.db2.gz PCHFIXZVAGSBOD-UHFFFAOYSA-N 0 0 304.025 4.159 50 0 DIAARN CC(C)CN(C/C=C/c1ccccc1)C(=O)CC1CCOCC1 ZINC000055053957 563470805 /nfs/dbraw/zinc/47/08/05/563470805.db2.gz FZIPGUUKDXIFNJ-RMKNXTFCSA-N 0 0 315.457 4.001 50 0 DIAARN CCc1nn(C)c(Cl)c1CN(Cc1ccco1)[C@@H](C)C(C)C ZINC000055100118 563471217 /nfs/dbraw/zinc/47/12/17/563471217.db2.gz RISZBFKQXCQDLI-ZDUSSCGKSA-N 0 0 323.868 4.276 50 0 DIAARN Cc1nc2c(ncnc2N(C)[C@H](C)c2cccc3ccccc32)o1 ZINC000055120538 563471644 /nfs/dbraw/zinc/47/16/44/563471644.db2.gz WVYINIBKZASLRK-GFCCVEGCSA-N 0 0 318.380 4.277 50 0 DIAARN CC[C@H](C)N(Cc1ccsc1)C(=O)Cc1nc(C)sc1C ZINC000055308084 563473467 /nfs/dbraw/zinc/47/34/67/563473467.db2.gz AGWUINGTCWFQKR-NSHDSACASA-N 0 0 322.499 4.191 50 0 DIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)CCCc1cccs1 ZINC000055369580 563474585 /nfs/dbraw/zinc/47/45/85/563474585.db2.gz UAQLYROGYJMILB-HNNXBMFYSA-N 0 0 316.470 4.293 50 0 DIAARN COCCN(Cc1ccccc1F)Cc1ccnc2ccccc12 ZINC000055414787 563475241 /nfs/dbraw/zinc/47/52/41/563475241.db2.gz QVPIKNRGIOWCBT-UHFFFAOYSA-N 0 0 324.399 4.023 50 0 DIAARN CCN(C/C=C/c1ccccc1)C(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000055393460 563475388 /nfs/dbraw/zinc/47/53/88/563475388.db2.gz FSRDFTKBQLFWCN-FMIVXFBMSA-N 0 0 324.424 4.010 50 0 DIAARN CC[C@H](C)N(Cc1ccncc1)C(=O)CCc1ccccc1C ZINC000055392777 563475536 /nfs/dbraw/zinc/47/55/36/563475536.db2.gz SXORYMPSDSROSE-KRWDZBQOSA-N 0 0 310.441 4.150 50 0 DIAARN Clc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000055543635 563476406 /nfs/dbraw/zinc/47/64/06/563476406.db2.gz CFZSTAZHERQKDY-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN Cc1ccc(-c2cc3ncc4c(n3n2)-c2ccccc2OC4)cc1 ZINC000013828328 563476916 /nfs/dbraw/zinc/47/69/16/563476916.db2.gz VRSORHYMZLMFEI-UHFFFAOYSA-N 0 0 313.360 4.264 50 0 DIAARN C[C@H]1CC(C)(C)N(C(=O)c2cccs2)c2ccc(O)cc21 ZINC000057531187 563477721 /nfs/dbraw/zinc/47/77/21/563477721.db2.gz JGGGFEKHDVEXIB-NSHDSACASA-N 0 0 301.411 4.386 50 0 DIAARN Clc1ccc(-c2nn(-c3ccccc3)c3ncncc23)cc1 ZINC000035068757 563477944 /nfs/dbraw/zinc/47/79/44/563477944.db2.gz DEXNLULDWPAOHX-UHFFFAOYSA-N 0 0 306.756 4.136 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)cc2Cl)o1 ZINC000033049074 563478034 /nfs/dbraw/zinc/47/80/34/563478034.db2.gz XBNQABVUPKOSIT-UHFFFAOYSA-N 0 0 320.707 4.288 50 0 DIAARN CCOC(=O)c1cc2c(cccc2OCc2ccccc2C)[nH]1 ZINC000072332479 563478041 /nfs/dbraw/zinc/47/80/41/563478041.db2.gz LEESVSZNOZKULE-UHFFFAOYSA-N 0 0 309.365 4.232 50 0 DIAARN COc1ccc([C@H]2CCCN2c2nc(-c3ccccc3)no2)cc1 ZINC000058369175 563478626 /nfs/dbraw/zinc/47/86/26/563478626.db2.gz MHNWFCUYOKJDTC-QGZVFWFLSA-N 0 0 321.380 4.087 50 0 DIAARN CSc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1F ZINC000096435410 563481796 /nfs/dbraw/zinc/48/17/96/563481796.db2.gz KZXWNUVKRASPNK-QMMMGPOBSA-N 0 0 323.393 4.035 50 0 DIAARN COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000011210606 563482743 /nfs/dbraw/zinc/48/27/43/563482743.db2.gz JUEKOXJVZWUHKU-KRWDZBQOSA-N 0 0 315.800 4.230 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)on1 ZINC000064984981 563486663 /nfs/dbraw/zinc/48/66/63/563486663.db2.gz HEZKJCUIVKKARS-CQSZACIVSA-N 0 0 319.792 4.259 50 0 DIAARN Clc1ccccc1-c1ccnc2nc(-c3ccccc3)nn21 ZINC000067630805 563488032 /nfs/dbraw/zinc/48/80/32/563488032.db2.gz PYUCRGAIDJQNIL-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN Cc1ccoc1C(=O)NCc1cccnc1Oc1ccccc1C ZINC000067713793 563489942 /nfs/dbraw/zinc/48/99/42/563489942.db2.gz QQBXFJPHZKIKQM-UHFFFAOYSA-N 0 0 322.364 4.014 50 0 DIAARN CC(=O)Nc1cccc(-c2ccccc2-c2nnc(C)s2)c1 ZINC000067910217 563493597 /nfs/dbraw/zinc/49/35/97/563493597.db2.gz URYIYCLXMCYYSD-UHFFFAOYSA-N 0 0 309.394 4.139 50 0 DIAARN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C(C)=O)c(O)cc21 ZINC000068755279 563495592 /nfs/dbraw/zinc/49/55/92/563495592.db2.gz BFRAMWBPJVDFDG-UHFFFAOYSA-N 0 0 321.376 4.358 50 0 DIAARN CC(C)(C)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000070461142 563497782 /nfs/dbraw/zinc/49/77/82/563497782.db2.gz UTRWTYKOWAWHQS-INIZCTEOSA-N 0 0 317.816 4.406 50 0 DIAARN CC(=O)c1cccc(-c2nccc(-c3ccc(C)nc3C)n2)c1F ZINC000071615173 563500826 /nfs/dbraw/zinc/50/08/26/563500826.db2.gz LZFRTIWPEGZBOC-UHFFFAOYSA-N 0 0 321.355 4.164 50 0 DIAARN Cc1cccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)c1C ZINC000033251697 563501897 /nfs/dbraw/zinc/50/18/97/563501897.db2.gz BDNITJOAFNPLEU-UHFFFAOYSA-N 0 0 323.421 4.317 50 0 DIAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)c(C)c1 ZINC000033251618 563501949 /nfs/dbraw/zinc/50/19/49/563501949.db2.gz HHMAVJQLZULBPN-UHFFFAOYSA-N 0 0 323.421 4.317 50 0 DIAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)no1 ZINC000033254225 563502151 /nfs/dbraw/zinc/50/21/51/563502151.db2.gz RXUWYOHNMMTHGL-UHFFFAOYSA-N 0 0 321.380 4.168 50 0 DIAARN CN(C)c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000033255536 563502509 /nfs/dbraw/zinc/50/25/09/563502509.db2.gz REWOCFXPVDXFSA-UHFFFAOYSA-N 0 0 313.788 4.047 50 0 DIAARN Fc1cccc(Cc2nc(-c3ccc(N4CCCC4)cc3)no2)c1 ZINC000033255333 563502675 /nfs/dbraw/zinc/50/26/75/563502675.db2.gz RFSDNVAFIBAZQD-UHFFFAOYSA-N 0 0 323.371 4.067 50 0 DIAARN C[C@H](c1cc2ccccc2o1)N(C)Cc1nnsc1Cl ZINC000036396283 563503401 /nfs/dbraw/zinc/50/34/01/563503401.db2.gz HKIUNROFLDYSJR-SECBINFHSA-N 0 0 307.806 4.131 50 0 DIAARN Cc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 ZINC000033265821 563503774 /nfs/dbraw/zinc/50/37/74/563503774.db2.gz MZWWAYGMMSQRHF-UHFFFAOYSA-N 0 0 314.392 4.317 50 0 DIAARN CCC1(CC)Oc2ccc(NC(=O)c3ccoc3C)cc2O1 ZINC000097105198 563505569 /nfs/dbraw/zinc/50/55/69/563505569.db2.gz NJOFKNJROIEKOI-UHFFFAOYSA-N 0 0 301.342 4.128 50 0 DIAARN Cc1ccc(CN(C)C(=O)c2sc(C(C)C)nc2C)s1 ZINC000076174690 563506123 /nfs/dbraw/zinc/50/61/23/563506123.db2.gz LCXKAKDPZHWDBO-UHFFFAOYSA-N 0 0 308.472 4.217 50 0 DIAARN C[S@](=O)c1ccc(CNc2ccc(-c3ccccc3)cn2)cc1 ZINC000097147941 563506632 /nfs/dbraw/zinc/50/66/32/563506632.db2.gz DTJOMLOSCLHKTH-HSZRJFAPSA-N 0 0 322.433 4.098 50 0 DIAARN O=C(CCNc1ccc(Br)cc1)c1cccs1 ZINC000000039211 563507534 /nfs/dbraw/zinc/50/75/34/563507534.db2.gz MIXZWNKFQICKIW-UHFFFAOYSA-N 0 0 310.216 4.196 50 0 DIAARN CC(C)C[C@@H](O)C1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000077406095 563510215 /nfs/dbraw/zinc/51/02/15/563510215.db2.gz WFRUDVDDVMQLBI-QGZVFWFLSA-N 0 0 313.844 4.098 50 0 DIAARN Cc1csc(N2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000077438724 563510646 /nfs/dbraw/zinc/51/06/46/563510646.db2.gz CZCCLZPTFYVUIB-UHFFFAOYSA-N 0 0 308.834 4.153 50 0 DIAARN O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1 ZINC000000050470 563514039 /nfs/dbraw/zinc/51/40/39/563514039.db2.gz MFRVCPSFBTUKFT-UHFFFAOYSA-N 0 0 316.316 4.109 50 0 DIAARN CCc1oc2ccccc2c1C(=O)c1ccc(OC(C)=O)cc1 ZINC000000054954 563515554 /nfs/dbraw/zinc/51/55/54/563515554.db2.gz SSMXMFYKXVRQCO-UHFFFAOYSA-N 0 0 308.333 4.152 50 0 DIAARN Cc1cccc(-c2nc3ccccn3c2NC(=O)NCC(C)C)c1 ZINC000033312693 563519514 /nfs/dbraw/zinc/51/95/14/563519514.db2.gz RUYSAWMJGAZKNO-UHFFFAOYSA-N 0 0 322.412 4.087 50 0 DIAARN CCOc1ccccc1NC(=O)/C=C\c1cccc(Cl)c1 ZINC000033311074 563519931 /nfs/dbraw/zinc/51/99/31/563519931.db2.gz KOSGWXGDCYLRPL-KHPPLWFESA-N 0 0 301.773 4.391 50 0 DIAARN CC(=O)Nc1ccc(-c2nccc3c4ccccc4[nH]c32)cc1 ZINC000084690351 563519986 /nfs/dbraw/zinc/51/99/86/563519986.db2.gz TWQHEXCGCUHWNT-UHFFFAOYSA-N 0 0 301.349 4.342 50 0 DIAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2ccco2)no1 ZINC000033318154 563520534 /nfs/dbraw/zinc/52/05/34/563520534.db2.gz JJAWSFFVTOPYCC-UHFFFAOYSA-N 0 0 320.352 4.107 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)s1 ZINC000585149260 563521706 /nfs/dbraw/zinc/52/17/06/563521706.db2.gz BJGKNEFSXLRHHZ-OAHLLOKOSA-N 0 0 321.467 4.016 50 0 DIAARN CC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000033328580 563522632 /nfs/dbraw/zinc/52/26/32/563522632.db2.gz GDDFHDOCYNIZID-UHFFFAOYSA-N 0 0 313.788 4.478 50 0 DIAARN Cc1cccc2c3nc(C4C5CC6CC(C5)CC4C6)nn3cnc12 ZINC000585157920 563523208 /nfs/dbraw/zinc/52/32/08/563523208.db2.gz MOIDBMQYMIWSPH-UHFFFAOYSA-N 0 0 318.424 4.126 50 0 DIAARN CCN(CC)C(=O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000098081233 563524179 /nfs/dbraw/zinc/52/41/79/563524179.db2.gz HPSNYZOEAIUWIX-FQEVSTJZSA-N 0 0 322.452 4.197 50 0 DIAARN CCc1cccc(N[C@@H](C(=O)N(CC)CC)c2ccccc2)c1 ZINC000098081200 563524307 /nfs/dbraw/zinc/52/43/07/563524307.db2.gz XCURPJFTCLPPHN-LJQANCHMSA-N 0 0 310.441 4.271 50 0 DIAARN Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccc(Cl)cc1 ZINC000000086735 563526332 /nfs/dbraw/zinc/52/63/32/563526332.db2.gz RXNAWJOUYWUNJU-UHFFFAOYSA-N 0 0 316.744 4.242 50 0 DIAARN FC(F)(F)c1ccc(NN2CCCCC2)cc1Br ZINC000095081572 563528370 /nfs/dbraw/zinc/52/83/70/563528370.db2.gz NLRXBVSFJHZXEB-UHFFFAOYSA-N 0 0 323.156 4.281 50 0 DIAARN Fc1cc(Cl)cc(Br)c1OC(F)(F)Cl ZINC000095215454 563528958 /nfs/dbraw/zinc/52/89/58/563528958.db2.gz CSBKACKZPIKLAS-UHFFFAOYSA-N 0 0 309.896 4.410 50 0 DIAARN FC(F)(F)Oc1cc(C(F)(F)F)ccc1Br ZINC000095215728 563529069 /nfs/dbraw/zinc/52/90/69/563529069.db2.gz HDSGLMJEVICJBF-UHFFFAOYSA-N 0 0 309.003 4.367 50 0 DIAARN COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cn1 ZINC000095218051 563529083 /nfs/dbraw/zinc/52/90/83/563529083.db2.gz FBCWXWTWRGURRY-UHFFFAOYSA-N 0 0 319.360 4.114 50 0 DIAARN Cc1ccc([C@@H]2Cc3[nH]c(-c4ccccc4)nc3C(=O)C2)s1 ZINC000095117818 563529086 /nfs/dbraw/zinc/52/90/86/563529086.db2.gz ICACIVZLNVNKAK-CYBMUJFWSA-N 0 0 308.406 4.359 50 0 DIAARN Fc1cc(OC(Cl)(Cl)Cl)ccc1Br ZINC000095215683 563529147 /nfs/dbraw/zinc/52/91/47/563529147.db2.gz RITDWMGJFJOBFN-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN CC(C)(C)OC(=O)Nc1cnc2c(Br)cccc2c1 ZINC000095831045 563530510 /nfs/dbraw/zinc/53/05/10/563530510.db2.gz OLPPUZMUZMMHGO-UHFFFAOYSA-N 0 0 323.190 4.344 50 0 DIAARN COc1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1 ZINC000011550598 563531300 /nfs/dbraw/zinc/53/13/00/563531300.db2.gz BIJWOSWAYHXHMA-UHFFFAOYSA-N 0 0 310.806 4.074 50 0 DIAARN c1ccc(Oc2cccc(-c3nc([C@@H]4CCOC4)no3)c2)cc1 ZINC000096131405 563533024 /nfs/dbraw/zinc/53/30/24/563533024.db2.gz ZWPAHCNZCHDNKE-CQSZACIVSA-N 0 0 308.337 4.033 50 0 DIAARN O=C(NCCSC1CCCCC1)Nc1ccc2[nH]ccc2c1 ZINC000096141057 563534064 /nfs/dbraw/zinc/53/40/64/563534064.db2.gz AFWVLXKMNICOHC-UHFFFAOYSA-N 0 0 317.458 4.355 50 0 DIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(F)c1 ZINC000096170858 563535561 /nfs/dbraw/zinc/53/55/61/563535561.db2.gz JKYBLRKESUNKPR-UHFFFAOYSA-N 0 0 314.238 4.368 50 0 DIAARN COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1Cl ZINC000096171270 563535598 /nfs/dbraw/zinc/53/55/98/563535598.db2.gz SBQZPPHVFZBSIE-UHFFFAOYSA-N 0 0 315.800 4.480 50 0 DIAARN CC(=O)N1c2ccccc2C(C)(C)O[C@H]1C(Cl)(Cl)Cl ZINC000000098716 563538537 /nfs/dbraw/zinc/53/85/37/563538537.db2.gz OEFAUGUOGQAXKE-NSHDSACASA-N 0 0 322.619 4.001 50 0 DIAARN CC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2C)cs1 ZINC000097347022 563538578 /nfs/dbraw/zinc/53/85/78/563538578.db2.gz ZVAQDRIDQGGWJM-INIZCTEOSA-N 0 0 313.422 4.236 50 0 DIAARN Cn1c(C(=O)N2CCCCCCC2)cc2c1cccc2Cl ZINC000097578758 563540447 /nfs/dbraw/zinc/54/04/47/563540447.db2.gz PYUPAONSEXFTDM-UHFFFAOYSA-N 0 0 304.821 4.238 50 0 DIAARN CC(C)c1nc(CN2CCC[C@H]2c2nc3ccccc3n2C)co1 ZINC000097675450 563540864 /nfs/dbraw/zinc/54/08/64/563540864.db2.gz BHLJFBDCZBXWFY-KRWDZBQOSA-N 0 0 324.428 4.022 50 0 DIAARN CN(Cc1ccc(-c2cccc(Cl)c2)o1)Cc1cnccn1 ZINC000097756349 563541726 /nfs/dbraw/zinc/54/17/26/563541726.db2.gz GNPMFQHYPCIYAA-UHFFFAOYSA-N 0 0 313.788 4.022 50 0 DIAARN CC(C)N(C(=O)c1ccccc1-c1cc(C2CC2)ncn1)C(C)C ZINC000097814848 563542459 /nfs/dbraw/zinc/54/24/59/563542459.db2.gz JVXXNUHBBXUTRN-UHFFFAOYSA-N 0 0 323.440 4.280 50 0 DIAARN Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCCCCCC1 ZINC000097785014 563542861 /nfs/dbraw/zinc/54/28/61/563542861.db2.gz LMIBLCGPHWKBAD-UHFFFAOYSA-N 0 0 302.393 4.032 50 0 DIAARN Cc1ccc(SCc2cc(=O)n(-c3ccc(F)cc3)[n-]2)cc1 ZINC000100072261 563543270 /nfs/dbraw/zinc/54/32/70/563543270.db2.gz LJHBKSVTGSRGNB-UHFFFAOYSA-N 0 0 314.385 4.318 50 0 DIAARN COc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3C)nc2c1 ZINC000098086933 563544050 /nfs/dbraw/zinc/54/40/50/563544050.db2.gz ZDXDIRLEXVGNMB-UHFFFAOYSA-N 0 0 324.380 4.406 50 0 DIAARN CSc1ccc(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101014808 563555749 /nfs/dbraw/zinc/55/57/49/563555749.db2.gz FEUORKGSRAKDTF-AWEZNQCLSA-N 0 0 303.814 4.340 50 0 DIAARN c1nc2n(n1)[C@@H](c1cccc3ccccc31)CC(c1ccccc1)=N2 ZINC000100100953 563558674 /nfs/dbraw/zinc/55/86/74/563558674.db2.gz LETJYNNVXGYIQZ-HXUWFJFHSA-N 0 0 324.387 4.487 50 0 DIAARN Cc1nc2cc(C(=O)OCC(C)C)ccc2n1-c1ccccc1 ZINC000014093910 563559356 /nfs/dbraw/zinc/55/93/56/563559356.db2.gz AMZHNGLJNOZAQL-UHFFFAOYSA-N 0 0 308.381 4.147 50 0 DIAARN O=C(c1ccccc1F)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000014159377 563560555 /nfs/dbraw/zinc/56/05/55/563560555.db2.gz IIVLQRQONOSILD-UHFFFAOYSA-N 0 0 320.367 4.237 50 0 DIAARN COc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014424909 563567241 /nfs/dbraw/zinc/56/72/41/563567241.db2.gz KNEAGFUVHSDEBZ-SNVBAGLBSA-N 0 0 324.207 4.493 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)c(C)n2)cc1 ZINC000257173238 563567919 /nfs/dbraw/zinc/56/79/19/563567919.db2.gz HJNNFVQXLBNLLN-HNNXBMFYSA-N 0 0 308.425 4.238 50 0 DIAARN CCOc1cc(-c2ccc(OC)cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000111953 563570391 /nfs/dbraw/zinc/57/03/91/563570391.db2.gz MUJLVFSYBGSCQV-UHFFFAOYSA-N 0 0 324.376 4.484 50 0 biogenic DIAARN Cc1ccccc1C(=O)SCC(=O)Nc1ccc(Cl)cc1 ZINC000000112114 563571001 /nfs/dbraw/zinc/57/10/01/563571001.db2.gz ISIOZCOBAZTYIR-UHFFFAOYSA-N 0 0 319.813 4.161 50 0 DIAARN Cc1cccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000000134155 563571759 /nfs/dbraw/zinc/57/17/59/563571759.db2.gz DWQGNPMZBDZOLT-UHFFFAOYSA-N 0 0 322.433 4.224 50 0 DIAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(F)cc1 ZINC000000136952 563571785 /nfs/dbraw/zinc/57/17/85/563571785.db2.gz ICQKWYWAZGPTCD-UHFFFAOYSA-N 0 0 324.380 4.300 50 0 DIAARN CC(=O)n1c2ccccc2c2[nH]c(=S)n(Cc3ccccc3)c21 ZINC000000140435 563572843 /nfs/dbraw/zinc/57/28/43/563572843.db2.gz IMDCSUFVPPZQFB-UHFFFAOYSA-N 0 0 321.405 4.362 50 0 DIAARN CCN(CC)C(=O)Oc1ccc2ccccc2c1Br ZINC000000152126 563574073 /nfs/dbraw/zinc/57/40/73/563574073.db2.gz BKLVMZQTBJAKRV-UHFFFAOYSA-N 0 0 322.202 4.443 50 0 DIAARN CCCc1cc2c(cc1OC)oc(C)c(-c1ccccn1)c2=O ZINC000000178268 563575159 /nfs/dbraw/zinc/57/51/59/563575159.db2.gz HXISYRFATBBODQ-UHFFFAOYSA-N 0 0 309.365 4.125 50 0 biogenic DIAARN Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1C ZINC000000178077 563575239 /nfs/dbraw/zinc/57/52/39/563575239.db2.gz MZWMEQFICBNXRN-YBEGLDIGSA-N 0 0 311.768 4.301 50 0 DIAARN O=C1CS[C@H](c2ccccc2)N1c1ccc(F)c(Cl)c1 ZINC000000180318 563575549 /nfs/dbraw/zinc/57/55/49/563575549.db2.gz YLNKPJQUYXTALW-OAHLLOKOSA-N 0 0 307.777 4.258 50 0 DIAARN Cc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C ZINC000000184257 563576013 /nfs/dbraw/zinc/57/60/13/563576013.db2.gz ROWBKNSALOBOBL-UHFFFAOYSA-N 0 0 315.423 4.136 50 0 DIAARN Nc1c(-c2ccccc2)cnc2cc(-c3ccc(Cl)cc3)nn21 ZINC000000208705 563578052 /nfs/dbraw/zinc/57/80/52/563578052.db2.gz JLTOSAZWTJCDSB-UHFFFAOYSA-N 0 0 320.783 4.299 50 0 DIAARN COCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000000210190 563578381 /nfs/dbraw/zinc/57/83/81/563578381.db2.gz MXJLRKCWOVEZNV-UHFFFAOYSA-N 0 0 317.186 4.070 50 0 DIAARN Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000000222834 563579080 /nfs/dbraw/zinc/57/90/80/563579080.db2.gz FMLDXYVQALNHEZ-IAGOWNOFSA-N 0 0 324.815 4.386 50 0 DIAARN Fc1cccc(NC(=S)N2CCCC[C@H]2c2cccnc2)c1 ZINC000000240173 563580315 /nfs/dbraw/zinc/58/03/15/563580315.db2.gz VPWYACNFNQXPME-INIZCTEOSA-N 0 0 315.417 4.145 50 0 biogenic DIAARN Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000000240445 563580524 /nfs/dbraw/zinc/58/05/24/563580524.db2.gz LTGNAGPYTNVXMD-UHFFFAOYSA-N 0 0 308.425 4.484 50 0 DIAARN CC1(C)C(Br)(Br)[C@@]1(C)c1ccccc1 ZINC000000236789 563580682 /nfs/dbraw/zinc/58/06/82/563580682.db2.gz JLWDOTKMZOPRQQ-NSHDSACASA-N 0 0 318.052 4.470 50 0 DIAARN CC(=O)c1c(Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000000232088 563580692 /nfs/dbraw/zinc/58/06/92/563580692.db2.gz FIAZOXXQTRZNNL-UHFFFAOYSA-N 0 0 307.736 4.302 50 0 DIAARN COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000255909 563582206 /nfs/dbraw/zinc/58/22/06/563582206.db2.gz IHMXFFJUMJWKHB-UGSOOPFHSA-N 0 0 313.422 4.171 50 0 DIAARN CCOC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1 ZINC000000253007 563582228 /nfs/dbraw/zinc/58/22/28/563582228.db2.gz SGHKHIKFXQJJNV-UHFFFAOYSA-N 0 0 315.369 4.128 50 0 DIAARN Cc1ccc(CSCC(=O)NCc2ccccc2Cl)cc1 ZINC000000262807 563583160 /nfs/dbraw/zinc/58/31/60/563583160.db2.gz HKQQDJFQDDEJPT-UHFFFAOYSA-N 0 0 319.857 4.198 50 0 DIAARN CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1F ZINC000000266473 563583520 /nfs/dbraw/zinc/58/35/20/563583520.db2.gz YKOMMCJBRGWHDK-UHFFFAOYSA-N 0 0 314.337 4.462 50 0 DIAARN Fc1cc(F)cc(NC(=S)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000000263685 563583544 /nfs/dbraw/zinc/58/35/44/563583544.db2.gz JOTVELZBXPTAKS-CYBMUJFWSA-N 0 0 318.392 4.151 50 0 DIAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1cscn1 ZINC000050310747 563583977 /nfs/dbraw/zinc/58/39/77/563583977.db2.gz SPUHFEVLIWRRBW-ABZNLYFFSA-N 0 0 312.394 4.122 50 0 DIAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1 ZINC000000276973 563584049 /nfs/dbraw/zinc/58/40/49/563584049.db2.gz ZMIWWUATAGRZAL-UHFFFAOYSA-N 0 0 309.365 4.200 50 0 DIAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(F)cc1 ZINC000000271377 563584254 /nfs/dbraw/zinc/58/42/54/563584254.db2.gz OYJPOHFCNBZJSR-UHFFFAOYSA-N 0 0 304.371 4.263 50 0 DIAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(Cl)cc1 ZINC000000268749 563584320 /nfs/dbraw/zinc/58/43/20/563584320.db2.gz NPEQEJBUAHXKID-AWEZNQCLSA-N 0 0 320.816 4.484 50 0 DIAARN O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2Cl)o1 ZINC000000273933 563584380 /nfs/dbraw/zinc/58/43/80/563584380.db2.gz PSLHWJHWTBAFLX-UHFFFAOYSA-N 0 0 324.723 4.163 50 0 DIAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000000281552 563584843 /nfs/dbraw/zinc/58/48/43/563584843.db2.gz IMIGGDMARNWAEW-GFCCVEGCSA-N 0 0 305.830 4.137 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1cccc(Br)c1 ZINC000000299647 563585278 /nfs/dbraw/zinc/58/52/78/563585278.db2.gz QPRRIUGTGOHZRN-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN O=C(COC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000000309551 563586744 /nfs/dbraw/zinc/58/67/44/563586744.db2.gz YIJHIAPPRTZSBT-UHFFFAOYSA-N 0 0 322.385 4.455 50 0 DIAARN COc1ccc(CCCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000000304338 563586777 /nfs/dbraw/zinc/58/67/77/563586777.db2.gz HOOLAJOWMOOLIV-UHFFFAOYSA-N 0 0 301.361 4.104 50 0 DIAARN COc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1 ZINC000000317967 563587919 /nfs/dbraw/zinc/58/79/19/563587919.db2.gz SSTCHTLFFVJUGP-UHFFFAOYSA-N 0 0 320.396 4.149 50 0 DIAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1cccs1 ZINC000000325369 563588775 /nfs/dbraw/zinc/58/87/75/563588775.db2.gz QDCLPRCOPGIYSJ-LFIBNONCSA-N 0 0 305.358 4.246 50 0 DIAARN CCOc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000000356111 563590262 /nfs/dbraw/zinc/59/02/62/563590262.db2.gz QXOBDQCKYXLLLA-NRMKIYEFSA-N 0 0 307.393 4.076 50 0 DIAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCCCC1 ZINC000000371936 563590684 /nfs/dbraw/zinc/59/06/84/563590684.db2.gz OPVFMEIJHOJTPM-HNNXBMFYSA-N 0 0 303.446 4.154 50 0 DIAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCCCC1 ZINC000000371938 563590741 /nfs/dbraw/zinc/59/07/41/563590741.db2.gz OPVFMEIJHOJTPM-OAHLLOKOSA-N 0 0 303.446 4.154 50 0 DIAARN CO/C=C(/Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1 ZINC000000366698 563590844 /nfs/dbraw/zinc/59/08/44/563590844.db2.gz DOKZSCYUYPJKAG-LFIBNONCSA-N 0 0 317.772 4.154 50 0 DIAARN CC[C@@H](NC(=O)c1c(Cl)cnn1C)c1ccc(C(C)C)cc1 ZINC000000374517 563591217 /nfs/dbraw/zinc/59/12/17/563591217.db2.gz RTLFXMXCVWPPEF-OAHLLOKOSA-N 0 0 319.836 4.078 50 0 DIAARN O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000000378709 563591226 /nfs/dbraw/zinc/59/12/26/563591226.db2.gz DTPYIXJNFSQTGQ-OAHLLOKOSA-N 0 0 324.311 4.003 50 0 DIAARN S=C(NCc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000000380796 563591383 /nfs/dbraw/zinc/59/13/83/563591383.db2.gz NGEUKRDEUZFKJS-UHFFFAOYSA-N 0 0 324.493 4.163 50 0 DIAARN CC(C)c1ccccc1N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000000386883 563591880 /nfs/dbraw/zinc/59/18/80/563591880.db2.gz CDCMVYLISXCLMC-UHFFFAOYSA-N 0 0 323.440 4.164 50 0 DIAARN Cc1cccc(-n2c(=O)c3oc4ccccc4c3[nH]c2=S)c1 ZINC000100505886 563594701 /nfs/dbraw/zinc/59/47/01/563594701.db2.gz STBCNNBWHZGPPB-UHFFFAOYSA-N 0 0 308.362 4.103 50 0 DIAARN CC(C)Sc1cc(N2CCCC2)nc(-c2ccc(F)cc2)n1 ZINC000000387269 563595134 /nfs/dbraw/zinc/59/51/34/563595134.db2.gz HMQNNONMKZWJAI-UHFFFAOYSA-N 0 0 317.433 4.383 50 0 DIAARN C[C@@H]1CCc2c(sc3[nH]c(C=Cc4ccccc4)nc(=O)c23)C1 ZINC000033746639 563595954 /nfs/dbraw/zinc/59/59/54/563595954.db2.gz WNRQIDFIHGAIDK-VPUINMBXSA-N 0 0 322.433 4.280 50 0 DIAARN CCCCOC(=O)c1ccc(OC(=O)Nc2ccccc2)cc1 ZINC000001738022 563596944 /nfs/dbraw/zinc/59/69/44/563596944.db2.gz VMYWIRMFYPXNGD-UHFFFAOYSA-N 0 0 313.353 4.254 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)COc2cccc3ccccc32)c1C ZINC000005111739 563597190 /nfs/dbraw/zinc/59/71/90/563597190.db2.gz ZKIKJCJXTYYBCI-UHFFFAOYSA-N 0 0 321.376 4.249 50 0 DIAARN COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(C)cc2)cc1 ZINC000044253374 563598946 /nfs/dbraw/zinc/59/89/46/563598946.db2.gz PHCMZNXVMYVQEO-IBGZPJMESA-N 0 0 324.424 4.050 50 0 DIAARN Cc1ccsc1C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000011769938 563599037 /nfs/dbraw/zinc/59/90/37/563599037.db2.gz NWRCNYPVGRBJNP-UHFFFAOYSA-N 0 0 300.427 4.217 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccc(C)c(C)c2)on1 ZINC000248081753 563599984 /nfs/dbraw/zinc/59/99/84/563599984.db2.gz JSJMKUSLAUSVMQ-BZSNNMDCSA-N 0 0 324.424 4.067 50 0 DIAARN c1csc(C2=N[C@@H]3SC(c4cccs4)=N[C@@H]3S2)c1 ZINC000226757342 563605110 /nfs/dbraw/zinc/60/51/10/563605110.db2.gz OWGONMGDVRAGSN-VXGBXAGGSA-N 0 0 308.478 4.149 50 0 DIAARN CSc1nc(-c2ccccc2)cn1-c1ccc(NC(C)=O)cc1 ZINC000000392228 563606308 /nfs/dbraw/zinc/60/63/08/563606308.db2.gz IYUHRJHASXUFGF-UHFFFAOYSA-N 0 0 323.421 4.220 50 0 DIAARN CCc1nc2ccccc2c(SCC(=O)c2ccccc2)n1 ZINC000000412508 563610760 /nfs/dbraw/zinc/61/07/60/563610760.db2.gz YTXANJCOXDMGAF-UHFFFAOYSA-N 0 0 308.406 4.167 50 0 DIAARN Cc1cccc2nc(-c3cccnc3)c(NC3CCCCC3)n21 ZINC000000417867 563611293 /nfs/dbraw/zinc/61/12/93/563611293.db2.gz WHKWFOMGXZDAQZ-UHFFFAOYSA-N 0 0 306.413 4.449 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000000423866 563612177 /nfs/dbraw/zinc/61/21/77/563612177.db2.gz NTVNSACMJNRKJG-MRXNPFEDSA-N 0 0 323.339 4.191 50 0 DIAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000000423872 563612218 /nfs/dbraw/zinc/61/22/18/563612218.db2.gz BISHJYLLHUYEBL-QGZVFWFLSA-N 0 0 319.376 4.360 50 0 DIAARN Cc1cc2ccccc2n1CCNC(=O)c1ccccc1Cl ZINC000000427869 563612580 /nfs/dbraw/zinc/61/25/80/563612580.db2.gz FPIIQBRUAWINIY-UHFFFAOYSA-N 0 0 312.800 4.033 50 0 DIAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1ccccc1 ZINC000000431113 563613945 /nfs/dbraw/zinc/61/39/45/563613945.db2.gz ADDHNNWLDTVXAW-USFYMYEYSA-N 0 0 309.752 4.350 50 0 DIAARN O=C(Nc1cnn(-c2ccccc2)c1)c1sccc1C1CC1 ZINC000067238026 563614704 /nfs/dbraw/zinc/61/47/04/563614704.db2.gz KXPVXXCPAPQLQD-UHFFFAOYSA-N 0 0 309.394 4.064 50 0 DIAARN c1ccc(-c2noc(COc3cccc4ccccc43)n2)cc1 ZINC000000441837 563614937 /nfs/dbraw/zinc/61/49/37/563614937.db2.gz ZPMUASAYRLQUNA-UHFFFAOYSA-N 0 0 302.333 4.469 50 0 DIAARN CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012409654 563614948 /nfs/dbraw/zinc/61/49/48/563614948.db2.gz VSOAUSLQUWDBFE-UHFFFAOYSA-N 0 0 324.380 4.474 50 0 DIAARN COc1ccccc1[C@@H](C)N[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000007987446 563615753 /nfs/dbraw/zinc/61/57/53/563615753.db2.gz UNADOLPXZRCBGS-ZIAGYGMSSA-N 0 0 322.408 4.099 50 0 DIAARN Cc1nc(Cl)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000000385225 563616384 /nfs/dbraw/zinc/61/63/84/563616384.db2.gz JFFIOTZQPDAKOT-SSDOTTSWSA-N 0 0 315.225 4.249 50 0 DIAARN COc1ccccc1NC(=O)CSCc1ccccc1Cl ZINC000000460219 563617789 /nfs/dbraw/zinc/61/77/89/563617789.db2.gz MQLMVXQFNCAFPM-UHFFFAOYSA-N 0 0 321.829 4.221 50 0 DIAARN Cc1ccc2[nH]c(CCCc3nc4cc(C)ccc4[nH]3)nc2c1 ZINC000005446362 563622193 /nfs/dbraw/zinc/62/21/93/563622193.db2.gz KWGYADUYGKCUOA-UHFFFAOYSA-N 0 0 304.397 4.231 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1N1CCCCC1=O ZINC000005441854 563622308 /nfs/dbraw/zinc/62/23/08/563622308.db2.gz KLIXERVHOZMOSG-UHFFFAOYSA-N 0 0 323.396 4.156 50 0 DIAARN Oc1ccccc1-c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000005614725 563624671 /nfs/dbraw/zinc/62/46/71/563624671.db2.gz MQFPENYQMSEGAR-UHFFFAOYSA-N 0 0 304.271 4.468 50 0 DIAARN Cc1nc(C2CC2)oc1C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000273641534 563626381 /nfs/dbraw/zinc/62/63/81/563626381.db2.gz UYPMORXZCYLRTP-IFIJOSMWSA-N 0 0 324.424 4.267 50 0 DIAARN COc1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000000133608 563627775 /nfs/dbraw/zinc/62/77/75/563627775.db2.gz ITHVLKDPDLXAPI-UHFFFAOYSA-N 0 0 313.397 4.010 50 0 DIAARN COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000041705 563628221 /nfs/dbraw/zinc/62/82/21/563628221.db2.gz HCZQRUCCSODJJG-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN COC(=O)c1sccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000080426 563628717 /nfs/dbraw/zinc/62/87/17/563628717.db2.gz ABDVCOFSXBOYDJ-UHFFFAOYSA-N 0 0 317.410 4.085 50 0 DIAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1 ZINC000000265162 563629137 /nfs/dbraw/zinc/62/91/37/563629137.db2.gz NBDWNSTVBGPAOH-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN CCN(CC)c1ccc(NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000000364810 563629828 /nfs/dbraw/zinc/62/98/28/563629828.db2.gz VPPGYPMMPOWWPQ-UHFFFAOYSA-N 0 0 300.377 4.233 50 0 DIAARN COC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1Cl ZINC000000452714 563630245 /nfs/dbraw/zinc/63/02/45/563630245.db2.gz INOMBEVKFMQAON-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000452270 563630431 /nfs/dbraw/zinc/63/04/31/563630431.db2.gz IJPYOYYIBWOGGA-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000001776405 563634526 /nfs/dbraw/zinc/63/45/26/563634526.db2.gz PCGBINMGZKYMOY-UHFFFAOYSA-N 0 0 323.348 4.252 50 0 DIAARN CCc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ZINC000003159074 563641033 /nfs/dbraw/zinc/64/10/33/563641033.db2.gz YTLYRPIVSHYLPW-UHFFFAOYSA-N 0 0 305.171 4.231 50 0 DIAARN O=C(c1cccnc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206878688 563639820 /nfs/dbraw/zinc/63/98/20/563639820.db2.gz IYAWRRGKOAMBRC-INIZCTEOSA-N 0 0 314.816 4.145 50 0 DIAARN CCC(=O)c1c(OCCC(C)C)ccc2c(C)cc(=O)oc21 ZINC000000485536 563645856 /nfs/dbraw/zinc/64/58/56/563645856.db2.gz HWQOJYABGYGGPE-UHFFFAOYSA-N 0 0 302.370 4.119 50 0 biogenic DIAARN O=C1c2ccccc2C(=O)N1Sc1cc(Cl)ccc1Cl ZINC000000497163 563650946 /nfs/dbraw/zinc/65/09/46/563650946.db2.gz KPSSHPJZTYSEAP-UHFFFAOYSA-N 0 0 324.188 4.297 50 0 DIAARN COc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 ZINC000000501840 563653309 /nfs/dbraw/zinc/65/33/09/563653309.db2.gz CJJUALAHGDREPS-UHFFFAOYSA-N 0 0 320.392 4.049 50 0 DIAARN CN(Cc1cccc(F)c1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000012866978 563654086 /nfs/dbraw/zinc/65/40/86/563654086.db2.gz LSMGDRSLSZCEEZ-UHFFFAOYSA-N 0 0 324.399 4.288 50 0 DIAARN Nc1oc(=O)c2ccccc2c1Nc1ccc(Cl)cc1Cl ZINC000101425871 563655678 /nfs/dbraw/zinc/65/56/78/563655678.db2.gz UHNUSKITZMCOML-UHFFFAOYSA-N 0 0 321.163 4.426 50 0 DIAARN Nc1oc(=O)c2ccccc2c1Nc1cc(Cl)ccc1Cl ZINC000101425888 563655740 /nfs/dbraw/zinc/65/57/40/563655740.db2.gz YCMOHMPUZFKPBV-UHFFFAOYSA-N 0 0 321.163 4.426 50 0 DIAARN Cc1c(C)n(-c2ccccc2)c2ncn(C3CCCCC3)c(=N)c12 ZINC000101414531 563656062 /nfs/dbraw/zinc/65/60/62/563656062.db2.gz SXCKLENLLRPNSI-UHFFFAOYSA-N 0 0 320.440 4.429 50 0 DIAARN CCCc1nc2sc3c(ncnc3OC)c2c2c1CCCC2 ZINC000000506348 563656867 /nfs/dbraw/zinc/65/68/67/563656867.db2.gz VKDBUSRUWKPDKH-UHFFFAOYSA-N 0 0 313.426 4.079 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000000509012 563658134 /nfs/dbraw/zinc/65/81/34/563658134.db2.gz KRYFKLVCLHBANA-MRXNPFEDSA-N 0 0 311.425 4.375 50 0 DIAARN CC(C)c1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 ZINC000102564597 563660526 /nfs/dbraw/zinc/66/05/26/563660526.db2.gz KHXGRNUSQSCJOM-IBGZPJMESA-N 0 0 316.408 4.458 50 0 DIAARN CCCC[C@@H](CC)CN1CC(=O)C(c2nc(C)cs2)=C1N ZINC000102734186 563662025 /nfs/dbraw/zinc/66/20/25/563662025.db2.gz AURZVRQJBIPUDB-GFCCVEGCSA-N 0 0 307.463 4.230 50 0 DIAARN CC(=O)Oc1ccc([C@@H]2OC[C@H]3[C@@H](C)[C@@H]2C(C)=C[C@@H]3C)cc1 ZINC000000519856 563662500 /nfs/dbraw/zinc/66/25/00/563662500.db2.gz SRZZJSRTPWVXAD-MFXRXQNDSA-N 0 0 300.398 4.148 50 0 DIAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=Nc3ncnn32)cc1 ZINC000102800224 563663257 /nfs/dbraw/zinc/66/32/57/563663257.db2.gz MTCUFVSFIUGLBJ-IBGZPJMESA-N 0 0 316.408 4.259 50 0 DIAARN Cc1ccc(O)c([C@H](CC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000000523749 563664487 /nfs/dbraw/zinc/66/44/87/563664487.db2.gz UTEJXRRDXFTVNU-GOSISDBHSA-N 0 0 323.436 4.235 50 0 DIAARN COc1ccc([C@H](CC(=O)NCc2ccccc2)C(C)C)cc1 ZINC000000525151 563664578 /nfs/dbraw/zinc/66/45/78/563664578.db2.gz CUZKQJAOAGLRHM-LJQANCHMSA-N 0 0 311.425 4.141 50 0 DIAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000014230036 563666818 /nfs/dbraw/zinc/66/68/18/563666818.db2.gz NXYIHUUFTJXEPG-CQSZACIVSA-N 0 0 321.804 4.446 50 0 DIAARN O=C(CC[C@H]1CCCCC1=O)c1ccc(Br)cc1 ZINC000000538411 563667675 /nfs/dbraw/zinc/66/76/75/563667675.db2.gz IEEQNZBQNPIJCS-LLVKDONJSA-N 0 0 309.203 4.171 50 0 DIAARN COc1ccccc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000000539279 563667694 /nfs/dbraw/zinc/66/76/94/563667694.db2.gz QYNZXQXMPQZCLK-LLVKDONJSA-N 0 0 301.411 4.134 50 0 DIAARN CCC[C@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 ZINC000000544832 563668805 /nfs/dbraw/zinc/66/88/05/563668805.db2.gz MVABJVCWQSCXSK-KRWDZBQOSA-N 0 0 307.397 4.143 50 0 DIAARN Clc1ccccc1N1COc2ccc(Br)cc2C1 ZINC000000553240 563669972 /nfs/dbraw/zinc/66/99/72/563669972.db2.gz CLEBANDVSUXKQB-UHFFFAOYSA-N 0 0 324.605 4.459 50 0 DIAARN O=S1(=O)C=C(Oc2ccc3ccccc3c2)c2ccccc21 ZINC000000553363 563670001 /nfs/dbraw/zinc/67/00/01/563670001.db2.gz QWCWVNFIUXCSGG-UHFFFAOYSA-N 0 0 308.358 4.005 50 0 DIAARN CC(C)Oc1cccc(C(=O)Nc2cccc3cccnc32)c1 ZINC000000556649 563670267 /nfs/dbraw/zinc/67/02/67/563670267.db2.gz VVNKCFGZAMBRDT-UHFFFAOYSA-N 0 0 306.365 4.274 50 0 DIAARN CN(C)c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000000567756 563671422 /nfs/dbraw/zinc/67/14/22/563671422.db2.gz RMWLIBRCZGMAOZ-UHFFFAOYSA-N 0 0 316.404 4.257 50 0 DIAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000253497607 563674442 /nfs/dbraw/zinc/67/44/42/563674442.db2.gz WYZDXEKUWRCKOB-DKGRFTTNSA-N 0 0 304.474 4.349 50 0 biogenic DIAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2cccnc2)cc1 ZINC000000577171 563674910 /nfs/dbraw/zinc/67/49/10/563674910.db2.gz ZGEMBZMCFXIEJT-UHFFFAOYSA-N 0 0 302.377 4.237 50 0 DIAARN COc1ccc2c(c1C)CCC/C2=C/CC1(C)C(=O)CCC1=O ZINC000105417708 563676683 /nfs/dbraw/zinc/67/66/83/563676683.db2.gz ULEYELVYYJFQIY-KAMYIIQDSA-N 0 0 312.409 4.052 50 0 DIAARN COC(=O)c1c(Nc2ccccc2)onc1-c1ccc(F)cc1 ZINC000046914488 563678049 /nfs/dbraw/zinc/67/80/49/563678049.db2.gz WTIGILZEATVEDA-UHFFFAOYSA-N 0 0 312.300 4.011 50 0 DIAARN Cc1ccccc1-c1cc(-c2nc(-c3cccc(F)c3)no2)n[nH]1 ZINC000046914422 563678138 /nfs/dbraw/zinc/67/81/38/563678138.db2.gz BQAWSNNDUXCBQL-UHFFFAOYSA-N 0 0 320.327 4.241 50 0 DIAARN Cc1ccccc1-c1cc(-c2nc(-c3ccccc3C)no2)n[nH]1 ZINC000046914345 563678187 /nfs/dbraw/zinc/67/81/87/563678187.db2.gz HGYXKPNTROEMDH-UHFFFAOYSA-N 0 0 316.364 4.411 50 0 DIAARN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCC1 ZINC000047166707 563679055 /nfs/dbraw/zinc/67/90/55/563679055.db2.gz UPTAJAFVHRJXCG-UHFFFAOYSA-N 0 0 318.392 4.083 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000044837719 563684847 /nfs/dbraw/zinc/68/48/47/563684847.db2.gz DGZCIQCQXQGQBC-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN CC(C)c1nc(CC(=O)N2CCC[C@H]2c2ccsc2)cs1 ZINC000044940758 563687161 /nfs/dbraw/zinc/68/71/61/563687161.db2.gz QNVOSQOHDPCWTJ-AWEZNQCLSA-N 0 0 320.483 4.234 50 0 DIAARN O=C(c1cc2c(c(Cl)c1)OCO2)N(C1CC1)C1CCCCC1 ZINC000045489956 563689065 /nfs/dbraw/zinc/68/90/65/563689065.db2.gz FUOOYZAVWLUFGI-UHFFFAOYSA-N 0 0 321.804 4.006 50 0 DIAARN CC[C@H](C)[C@H](C)NC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 ZINC000109048001 563690170 /nfs/dbraw/zinc/69/01/70/563690170.db2.gz NRHUOAWRVOBDDP-ACVZPDSXSA-N 0 0 319.445 4.046 50 0 DIAARN CCOC(=O)c1nc2ccccc2nc1Nc1cccc(CC)c1 ZINC000045901080 563690730 /nfs/dbraw/zinc/69/07/30/563690730.db2.gz MHKZOQJWBYCFOF-UHFFFAOYSA-N 0 0 321.380 4.113 50 0 DIAARN O=C(Cc1cccs1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000046017910 563691029 /nfs/dbraw/zinc/69/10/29/563691029.db2.gz OQQQRHCJEWEWRE-HNNXBMFYSA-N 0 0 305.830 4.308 50 0 DIAARN CCSc1ccccc1NC(=O)N[C@@H](C)c1ccccn1 ZINC000047856493 563692826 /nfs/dbraw/zinc/69/28/26/563692826.db2.gz NCEYXOMLTHXBPV-LBPRGKRZSA-N 0 0 301.415 4.076 50 0 DIAARN Cc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000048069368 563693497 /nfs/dbraw/zinc/69/34/97/563693497.db2.gz BIIMUEYITZAAOJ-UHFFFAOYSA-N 0 0 324.243 4.091 50 0 DIAARN O=C(Cc1noc2ccccc12)Nc1cc(Cl)cc(Cl)c1 ZINC000019198032 563693974 /nfs/dbraw/zinc/69/39/74/563693974.db2.gz ZJGBWGDFFNAYIY-UHFFFAOYSA-N 0 0 321.163 4.316 50 0 DIAARN Cc1cc([C@@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)on1 ZINC000048250754 563694625 /nfs/dbraw/zinc/69/46/25/563694625.db2.gz AAAUODJCXJWWQR-KRWDZBQOSA-N 0 0 323.396 4.284 50 0 DIAARN C(=C/c1ccc2ccccc2n1)\c1csc(-c2ncccn2)n1 ZINC000048325352 563696537 /nfs/dbraw/zinc/69/65/37/563696537.db2.gz DXVHURZQMBTGDT-CMDGGOBGSA-N 0 0 316.389 4.319 50 0 DIAARN CSCc1nnc(SCc2cccc(C(F)(F)F)c2)o1 ZINC000048396397 563698060 /nfs/dbraw/zinc/69/80/60/563698060.db2.gz ZFHACADQJYJYMP-UHFFFAOYSA-N 0 0 320.361 4.244 50 0 DIAARN CN(Cc1ccsc1)C(=O)c1csc(-c2ccsc2)n1 ZINC000048380657 563698268 /nfs/dbraw/zinc/69/82/68/563698268.db2.gz WGSIMGUZHFOQMH-UHFFFAOYSA-N 0 0 320.464 4.205 50 0 DIAARN COc1ccc(Br)cc1NC(=O)c1cccc(C)c1 ZINC000048444649 563698874 /nfs/dbraw/zinc/69/88/74/563698874.db2.gz ZSRXVYLIFMZVHS-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CCOC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000048769201 563699968 /nfs/dbraw/zinc/69/99/68/563699968.db2.gz QOYGSSODZPAXFR-UHFFFAOYSA-N 0 0 317.216 4.026 50 0 DIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1c(F)cccc1F ZINC000049549192 563701538 /nfs/dbraw/zinc/70/15/38/563701538.db2.gz LFRYTJCNXXRXEB-VIFPVBQESA-N 0 0 305.328 4.040 50 0 DIAARN CC(C)C[C@H]1CN(Cc2[nH]c3ccccc3c2Cl)CCO1 ZINC000215194135 563704084 /nfs/dbraw/zinc/70/40/84/563704084.db2.gz NXQSXLUELZRWPQ-ZDUSSCGKSA-N 0 0 306.837 4.068 50 0 DIAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000002755458 563705123 /nfs/dbraw/zinc/70/51/23/563705123.db2.gz CZWJKHGVVJGPCQ-UHFFFAOYSA-N 0 0 305.377 4.232 50 0 DIAARN COc1cccc([C@@H]2CCN2C(=O)c2coc3ccccc23)c1 ZINC000216008004 563707599 /nfs/dbraw/zinc/70/75/99/563707599.db2.gz QWPGAZGBVANQKA-KRWDZBQOSA-N 0 0 307.349 4.029 50 0 DIAARN Cc1cc([C@H]2CCCCN2Cc2ccc3ccn(C)c3c2)no1 ZINC000216003498 563707629 /nfs/dbraw/zinc/70/76/29/563707629.db2.gz IQSKYMHVEFTXJW-GOSISDBHSA-N 0 0 309.413 4.202 50 0 DIAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncccn1 ZINC000006913095 563709014 /nfs/dbraw/zinc/70/90/14/563709014.db2.gz QUTMTVJYOPEAKY-CHWSQXEVSA-N 0 0 315.442 4.109 50 0 DIAARN Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2cc3ccccc3[nH]2)s1 ZINC000216286972 563709294 /nfs/dbraw/zinc/70/92/94/563709294.db2.gz UYXRTOUEYBTKIK-NSHDSACASA-N 0 0 313.426 4.074 50 0 DIAARN O=C(c1ccc(Cl)c(F)c1F)N1CCCc2ccccc21 ZINC000000796969 563716249 /nfs/dbraw/zinc/71/62/49/563716249.db2.gz PXOLDKKHOORBMM-UHFFFAOYSA-N 0 0 307.727 4.211 50 0 DIAARN CC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 ZINC000000807258 563718287 /nfs/dbraw/zinc/71/82/87/563718287.db2.gz VJLONGAKINUBAA-UHFFFAOYSA-N 0 0 320.392 4.099 50 0 DIAARN COc1ccccc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21 ZINC000000818051 563720314 /nfs/dbraw/zinc/72/03/14/563720314.db2.gz GPYXHIADJFPFMM-FQEVSTJZSA-N 0 0 319.408 4.456 50 0 DIAARN O=C(Cc1ccccc1)NCc1nc(C2CCCCC2)cs1 ZINC000390832046 563720764 /nfs/dbraw/zinc/72/07/64/563720764.db2.gz WTMIOORFHJWQBB-UHFFFAOYSA-N 0 0 314.454 4.050 50 0 DIAARN COc1ccccc1[C@H]1Nc2c(C)cccc2-c2cc(C)nn21 ZINC000000818104 563721442 /nfs/dbraw/zinc/72/14/42/563721442.db2.gz LJEDXARQLGGUKX-IBGZPJMESA-N 0 0 305.381 4.148 50 0 DIAARN O=C(Nc1ccc(Cl)c2cccnc12)c1ccc(F)cc1 ZINC000025061335 563725176 /nfs/dbraw/zinc/72/51/76/563725176.db2.gz XWDUFASLPFRXKA-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN Cn1cc(CNc2cc(F)c(F)c(F)c2)c(C2CCCCC2)n1 ZINC000225393659 563753901 /nfs/dbraw/zinc/75/39/01/563753901.db2.gz IJTYUZWFXYCFSE-UHFFFAOYSA-N 0 0 323.362 4.497 50 0 DIAARN CN(C)c1ccccc1N(C)C(=O)c1cc(Cl)ccc1Cl ZINC000225493731 563757419 /nfs/dbraw/zinc/75/74/19/563757419.db2.gz WHBSXLBTHJAGGD-UHFFFAOYSA-N 0 0 323.223 4.336 50 0 DIAARN CC(=O)c1ccccc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000225793538 563763530 /nfs/dbraw/zinc/76/35/30/563763530.db2.gz BDDCQFJVUFBKCF-UHFFFAOYSA-N 0 0 319.813 4.273 50 0 DIAARN O=C(Cn1ccc2c1cccc2Cl)Nc1ccccc1F ZINC000032102450 563768962 /nfs/dbraw/zinc/76/89/62/563768962.db2.gz CDJZVOVAYWMGMJ-UHFFFAOYSA-N 0 0 302.736 4.073 50 0 DIAARN Cc1c2c(nn1-c1cc(Cl)cc(Cl)c1)c(C)nnc2C ZINC000012390914 563769730 /nfs/dbraw/zinc/76/97/30/563769730.db2.gz WXDPZZUIYNOUBU-UHFFFAOYSA-N 0 0 307.184 4.048 50 0 DIAARN c1cc2c(s1)CCN(Cc1ccc([C@H]3CCCCO3)o1)C2 ZINC000230551912 563773418 /nfs/dbraw/zinc/77/34/18/563773418.db2.gz WGGMGDUKAFNVFN-OAHLLOKOSA-N 0 0 303.427 4.141 50 0 DIAARN Fc1cccc(F)c1-c1ccc(CNCC(F)(F)C(F)F)o1 ZINC000241644720 563777357 /nfs/dbraw/zinc/77/73/57/563777357.db2.gz PSXLXQBKDGPBHB-UHFFFAOYSA-N 0 0 323.236 4.215 50 0 DIAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCC1CCOCC1 ZINC000241630857 563777490 /nfs/dbraw/zinc/77/74/90/563777490.db2.gz PLXJOTAJXBTXHB-CQSZACIVSA-N 0 0 315.413 4.125 50 0 DIAARN CC(=O)N(C)c1cccc(NC(=O)c2ccccc2CC(C)C)c1 ZINC000241707062 563778238 /nfs/dbraw/zinc/77/82/38/563778238.db2.gz QMHVMNLWBHCQRK-UHFFFAOYSA-N 0 0 324.424 4.120 50 0 DIAARN CC1(C)C[C@]1(C(=O)NCc1ccc2cc[nH]c2c1)c1ccccc1 ZINC000244724551 563779084 /nfs/dbraw/zinc/77/90/84/563779084.db2.gz MWGAUEBQYYCJAL-OAQYLSRUSA-N 0 0 318.420 4.152 50 0 DIAARN C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CCC[C@@H]12 ZINC000254296386 563784867 /nfs/dbraw/zinc/78/48/67/563784867.db2.gz SGQIYKXGWYOMQI-NIKDIJRDSA-N 0 0 306.490 4.141 50 0 DIAARN CCC1=NN=C(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1O ZINC000000978245 563785510 /nfs/dbraw/zinc/78/55/10/563785510.db2.gz MMZXXGVJJRBXHT-LJQANCHMSA-N 0 0 318.380 4.127 50 0 DIAARN COc1cc(NC(=O)Nc2cccc(C)c2)c(OC)cc1Cl ZINC000001002101 563787014 /nfs/dbraw/zinc/78/70/14/563787014.db2.gz 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300.427 4.381 50 0 DIAARN C[C@@H]1CCCN(C(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000003252364 563799520 /nfs/dbraw/zinc/79/95/20/563799520.db2.gz UFVXQGLLDOVARI-SECBINFHSA-N 0 0 303.258 4.422 50 0 DIAARN COc1ccccc1OC(=O)Cc1c(Cl)cccc1Cl ZINC000003248792 563799527 /nfs/dbraw/zinc/79/95/27/563799527.db2.gz IKPRXXKTRNFQMF-UHFFFAOYSA-N 0 0 311.164 4.150 50 0 DIAARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccccc2)CC1 ZINC000003244226 563799844 /nfs/dbraw/zinc/79/98/44/563799844.db2.gz HFDRQVAMLKJWJJ-UHFFFAOYSA-N 0 0 317.429 4.021 50 0 DIAARN c1coc(-c2noc(CSc3nc(-c4ccccc4)c[nH]3)n2)c1 ZINC000012544440 563800244 /nfs/dbraw/zinc/80/02/44/563800244.db2.gz FXQCKVQHGJKCLC-UHFFFAOYSA-N 0 0 324.365 4.012 50 0 DIAARN Cc1cc(C(=O)CN2CCCc3ccccc32)c(C)n1C1CC1 ZINC000012545653 563800357 /nfs/dbraw/zinc/80/03/57/563800357.db2.gz ZNZVUBLXGOWIJN-UHFFFAOYSA-N 0 0 308.425 4.075 50 0 DIAARN CC(C)OCc1c2ccccc2oc1C(=O)Nc1ccncc1 ZINC000012551410 563800645 /nfs/dbraw/zinc/80/06/45/563800645.db2.gz ZSIPWSBFHNXCGN-UHFFFAOYSA-N 0 0 310.353 4.005 50 0 DIAARN O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000012555748 563800866 /nfs/dbraw/zinc/80/08/66/563800866.db2.gz UEVNVURXVUDKKA-UHFFFAOYSA-N 0 0 312.800 4.115 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000012556114 563801133 /nfs/dbraw/zinc/80/11/33/563801133.db2.gz YLIZBPUNDPGKKR-HNNXBMFYSA-N 0 0 308.425 4.231 50 0 DIAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012569363 563801849 /nfs/dbraw/zinc/80/18/49/563801849.db2.gz SVTFMRYDPCZBSH-RHSMWYFYSA-N 0 0 310.397 4.136 50 0 DIAARN Cc1ccccc1-c1noc(CN2c3ccccc3CC[C@H]2C)n1 ZINC000012563218 563802170 /nfs/dbraw/zinc/80/21/70/563802170.db2.gz ZIWGJJMLFUPFEE-OAHLLOKOSA-N 0 0 319.408 4.386 50 0 DIAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCC2CCCCC2)c1 ZINC000012578122 563802292 /nfs/dbraw/zinc/80/22/92/563802292.db2.gz DGCIFZXMVUNLLZ-ZDUSSCGKSA-N 0 0 309.837 4.112 50 0 DIAARN Cc1c2ccccc2sc1C(=O)N1CCCc2ncccc21 ZINC000012597784 563802862 /nfs/dbraw/zinc/80/28/62/563802862.db2.gz VYAWMXSRFKCMTM-UHFFFAOYSA-N 0 0 308.406 4.198 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1csc2c1CCCC2 ZINC000012607732 563803450 /nfs/dbraw/zinc/80/34/50/563803450.db2.gz YESYTUQAQDJFCX-UHFFFAOYSA-N 0 0 301.411 4.196 50 0 DIAARN O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012607564 563803585 /nfs/dbraw/zinc/80/35/85/563803585.db2.gz AQLJYTBMJVDHTI-QFBILLFUSA-N 0 0 308.425 4.272 50 0 DIAARN Cc1cc(C)cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000012609021 563803608 /nfs/dbraw/zinc/80/36/08/563803608.db2.gz SPZRIUOMLSWHGK-HXUWFJFHSA-N 0 0 316.404 4.218 50 0 DIAARN Cc1ccc(Oc2ccc(N[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000012606422 563803788 /nfs/dbraw/zinc/80/37/88/563803788.db2.gz OKRUFXUKDMUMJB-OAHLLOKOSA-N 0 0 312.413 4.112 50 0 DIAARN COc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C ZINC000299770300 563805777 /nfs/dbraw/zinc/80/57/77/563805777.db2.gz RGTONBWCAFAWKO-AWEZNQCLSA-N 0 0 310.397 4.378 50 0 DIAARN Cc1cc(C)cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000012622000 563807324 /nfs/dbraw/zinc/80/73/24/563807324.db2.gz JYYVKQVSEFQODT-INIZCTEOSA-N 0 0 315.413 4.409 50 0 DIAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000052803638 563807971 /nfs/dbraw/zinc/80/79/71/563807971.db2.gz FNRJSDNSXYYKNR-BLLLJJGKSA-N 0 0 318.417 4.051 50 0 DIAARN CCOc1ccccc1C[S@](=O)[C@@H](C)c1ccc(F)cc1 ZINC000078555957 563808374 /nfs/dbraw/zinc/80/83/74/563808374.db2.gz NSBBLXIOZIRASZ-YEJXKQKISA-N 0 0 306.402 4.234 50 0 DIAARN O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccco1 ZINC000001239011 563809115 /nfs/dbraw/zinc/80/91/15/563809115.db2.gz MMNYZUCQZFQGIX-UHFFFAOYSA-N 0 0 303.321 4.075 50 0 DIAARN Cc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)no1 ZINC000012686446 563810004 /nfs/dbraw/zinc/81/00/04/563810004.db2.gz ZFIMUNBRJZULCH-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN Cc1cccc2cc3c(NC(=O)C(C)C)nn(CC(C)C)c3nc12 ZINC000001315012 563811214 /nfs/dbraw/zinc/81/12/14/563811214.db2.gz HJAJTJVUWAWOQT-UHFFFAOYSA-N 0 0 324.428 4.143 50 0 DIAARN CC(=O)c1ccc2ccccc2c1OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000248380092 563812145 /nfs/dbraw/zinc/81/21/45/563812145.db2.gz OVLJHYZOODFASB-PIIMJCKOSA-N 0 0 308.377 4.384 50 0 DIAARN O=Cc1c(SCc2cccc(Cl)c2)nc2sccn12 ZINC000001384865 563814407 /nfs/dbraw/zinc/81/44/07/563814407.db2.gz FJMAPSRCMFZZPQ-UHFFFAOYSA-N 0 0 308.815 4.154 50 0 DIAARN COc1cnc(SCc2ccc(Cl)cc2)nc1Cl ZINC000001388489 563815068 /nfs/dbraw/zinc/81/50/68/563815068.db2.gz HVNCKXYPDAMYRC-UHFFFAOYSA-N 0 0 301.198 4.084 50 0 DIAARN COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC ZINC000001386779 563815110 /nfs/dbraw/zinc/81/51/10/563815110.db2.gz RBPYJYDXSQJZHI-UHFFFAOYSA-N 0 0 309.369 4.007 50 0 DIAARN O=C(Nc1ccccc1Cl)N1CCSc2ccccc21 ZINC000001390788 563817074 /nfs/dbraw/zinc/81/70/74/563817074.db2.gz IASWZMZMNRDQOI-UHFFFAOYSA-N 0 0 304.802 4.484 50 0 DIAARN Cc1ccc(S[C@@H]2CCS(=O)(=O)c3sccc32)cc1 ZINC000001398497 563817932 /nfs/dbraw/zinc/81/79/32/563817932.db2.gz MISSRLDOAHKKIV-CYBMUJFWSA-N 0 0 310.465 4.067 50 0 DIAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000001397607 563818002 /nfs/dbraw/zinc/81/80/02/563818002.db2.gz CKTVCXZZWVAHDP-HNNXBMFYSA-N 0 0 320.747 4.009 50 0 DIAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 ZINC000001399480 563818017 /nfs/dbraw/zinc/81/80/17/563818017.db2.gz IJHLWBFZDNDNPX-UHFFFAOYSA-N 0 0 319.191 4.405 50 0 DIAARN Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccccc1 ZINC000001396702 563818046 /nfs/dbraw/zinc/81/80/46/563818046.db2.gz BZGXDXRJJZKQDL-UHFFFAOYSA-N 0 0 311.715 4.259 50 0 DIAARN Cc1cccc(S[C@@H]2CCS(=O)(=O)c3sccc32)c1 ZINC000001398511 563818059 /nfs/dbraw/zinc/81/80/59/563818059.db2.gz FRZYCRFWIPAMPC-CYBMUJFWSA-N 0 0 310.465 4.067 50 0 DIAARN CN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000001402853 563818799 /nfs/dbraw/zinc/81/87/99/563818799.db2.gz JUSVFVAZYRGUAA-UHFFFAOYSA-N 0 0 305.830 4.236 50 0 DIAARN CCOC(=O)[C@H](Oc1ccccc1-n1cccc1)c1ccccc1 ZINC000001403244 563818875 /nfs/dbraw/zinc/81/88/75/563818875.db2.gz JCDPVAFXEVHKCM-LJQANCHMSA-N 0 0 321.376 4.161 50 0 DIAARN COc1ccc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccco3)cc2c1 ZINC000083970391 563819235 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/nfs/dbraw/zinc/82/24/67/563822467.db2.gz GSLRAQYFHHPTBC-UHFFFAOYSA-N 0 0 300.745 4.053 50 0 DIAARN Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1C ZINC000012756829 563824669 /nfs/dbraw/zinc/82/46/69/563824669.db2.gz UJYCHDHRIJPIEH-UHFFFAOYSA-N 0 0 300.427 4.281 50 0 DIAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1cccs1 ZINC000012753916 563825066 /nfs/dbraw/zinc/82/50/66/563825066.db2.gz JLYSLBHNXBXHOA-GHMZBOCLSA-N 0 0 309.818 4.046 50 0 DIAARN Cc1ccc(-c2noc([C@@H](C)Sc3ccccn3)n2)cc1F ZINC000084185390 563825072 /nfs/dbraw/zinc/82/50/72/563825072.db2.gz CTJFHBHAWFFXJM-LLVKDONJSA-N 0 0 315.373 4.432 50 0 DIAARN Cc1nc2ccc(NC(=O)CCc3ccc([C@H]4C[C@H]4C)o3)cc2o1 ZINC000084290328 563825379 /nfs/dbraw/zinc/82/53/79/563825379.db2.gz VKCXLRZTNNIHHQ-ABAIWWIYSA-N 0 0 324.380 4.424 50 0 DIAARN Clc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000084343483 563826222 /nfs/dbraw/zinc/82/62/22/563826222.db2.gz RJOWDVFJYDYGEY-OAHLLOKOSA-N 0 0 323.223 4.042 50 0 DIAARN O=C(NCc1cccs1)c1ccc(C2SCCS2)cc1 ZINC000012765729 563826510 /nfs/dbraw/zinc/82/65/10/563826510.db2.gz WUYWFEZCOBJXAN-UHFFFAOYSA-N 0 0 321.492 4.157 50 0 DIAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1C[C@@H]1c1cccnc1 ZINC000084374543 563826592 /nfs/dbraw/zinc/82/65/92/563826592.db2.gz CFJGYDBQWLLJKQ-MOPGFXCFSA-N 0 0 322.408 4.145 50 0 DIAARN CSc1ccccc1NC(=O)COc1cccc(C)c1C ZINC000012767421 563827000 /nfs/dbraw/zinc/82/70/00/563827000.db2.gz VHGARIFGIBPRDS-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN c1oc(-c2ccccc2)nc1CCNc1nc2ccccc2o1 ZINC000084564713 563827475 /nfs/dbraw/zinc/82/74/75/563827475.db2.gz AKPQFBHESYJOMS-UHFFFAOYSA-N 0 0 305.337 4.137 50 0 DIAARN Cc1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 ZINC000012769618 563827781 /nfs/dbraw/zinc/82/77/81/563827781.db2.gz DVDMCFIDFODYPC-UHFFFAOYSA-N 0 0 324.405 4.283 50 0 DIAARN C[C@@H](NC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000012770547 563828121 /nfs/dbraw/zinc/82/81/21/563828121.db2.gz SINIBXNAAYRPLV-SNVBAGLBSA-N 0 0 324.758 4.179 50 0 DIAARN Cc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 ZINC000012771200 563828528 /nfs/dbraw/zinc/82/85/28/563828528.db2.gz WUXMUZDNRWPKKB-UHFFFAOYSA-N 0 0 322.433 4.391 50 0 DIAARN CCCc1nc(C)c(C(=O)N(C2CC2)C2CCCCC2)s1 ZINC000084759019 563830537 /nfs/dbraw/zinc/83/05/37/563830537.db2.gz DNQLLPAMLKIQBP-UHFFFAOYSA-N 0 0 306.475 4.341 50 0 DIAARN CCCN(C(=O)c1sccc1C)[C@H]1CCc2ccccc2C1 ZINC000084750324 563830770 /nfs/dbraw/zinc/83/07/70/563830770.db2.gz HBYLOHLDLHCWJH-KRWDZBQOSA-N 0 0 313.466 4.466 50 0 DIAARN C[C@@H](Cc1ccoc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000084827374 563831424 /nfs/dbraw/zinc/83/14/24/563831424.db2.gz IEEBQOULZFLWJS-INIZCTEOSA-N 0 0 319.404 4.159 50 0 DIAARN Cc1ccc([S@](=O)Cc2ncc(-c3cccs3)o2)cc1C ZINC000085233336 563834185 /nfs/dbraw/zinc/83/41/85/563834185.db2.gz ZCTUWMMQWLXVMW-NRFANRHFSA-N 0 0 317.435 4.328 50 0 DIAARN CCC1CCC(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000078884851 563835410 /nfs/dbraw/zinc/83/54/10/563835410.db2.gz OOWZKVOCMCLULQ-CLRIEMFWSA-N 0 0 305.384 4.440 50 0 DIAARN O=C(C=CNc1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000005136950 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ZINC000011907659 563836839 /nfs/dbraw/zinc/83/68/39/563836839.db2.gz DKPZAJUZTVCDOS-UHFFFAOYSA-N 0 0 310.426 4.344 50 0 DIAARN O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001465339 563837100 /nfs/dbraw/zinc/83/71/00/563837100.db2.gz YWDIFCNIQONCPE-UHFFFAOYSA-N 0 0 308.164 4.205 50 0 DIAARN Cc1cc(C(=O)NC2CCCCCC2)c(C)n1Cc1ccco1 ZINC000012818267 563837619 /nfs/dbraw/zinc/83/76/19/563837619.db2.gz SLKSLQQJPQJPSY-UHFFFAOYSA-N 0 0 314.429 4.199 50 0 DIAARN O=C(c1ccsc1)N1CCC(CSCc2ccco2)CC1 ZINC000085472466 563838385 /nfs/dbraw/zinc/83/83/85/563838385.db2.gz LEUROESWEKBBOE-UHFFFAOYSA-N 0 0 321.467 4.127 50 0 DIAARN Cc1c(C(=O)Nc2ccc(C)cc2C)cnn1-c1cccc(C)c1 ZINC000012822271 563841035 /nfs/dbraw/zinc/84/10/35/563841035.db2.gz AMAUKLLTYXNNPU-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN COc1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000037083 563842270 /nfs/dbraw/zinc/84/22/70/563842270.db2.gz IAMRFWCOMLDWHL-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN Clc1sc(I)c(Cl)c1Cl ZINC000002173300 563847372 /nfs/dbraw/zinc/84/73/72/563847372.db2.gz AUNILJJPQWWXOE-UHFFFAOYSA-N 0 0 313.374 4.313 50 0 DIAARN COC(=O)c1cccc(OC)c1Cc1ccc2ccccc2c1 ZINC000043199241 563847933 /nfs/dbraw/zinc/84/79/33/563847933.db2.gz REWWEENBRCHVED-UHFFFAOYSA-N 0 0 306.361 4.226 50 0 DIAARN CC[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000012874754 563850521 /nfs/dbraw/zinc/85/05/21/563850521.db2.gz YVYZBPFLVBHXFB-HNNXBMFYSA-N 0 0 306.409 4.020 50 0 DIAARN COc1cccc(C(=O)Nc2cc(Cl)cc3cccnc32)c1 ZINC000012874804 563850524 /nfs/dbraw/zinc/85/05/24/563850524.db2.gz ZHBOCDZLUBHZEN-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN COc1ccccc1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000012892298 563852538 /nfs/dbraw/zinc/85/25/38/563852538.db2.gz GCTHCNSMMXMEOC-ZDUSSCGKSA-N 0 0 309.365 4.275 50 0 DIAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccoc1 ZINC000012909177 563853710 /nfs/dbraw/zinc/85/37/10/563853710.db2.gz LQXKKULUJYRJDT-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 DIAARN CCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000012911769 563853825 /nfs/dbraw/zinc/85/38/25/563853825.db2.gz NHZVOXKIAQNDTJ-ZDUSSCGKSA-N 0 0 309.365 4.323 50 0 DIAARN CCCc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1 ZINC000575414431 563855946 /nfs/dbraw/zinc/85/59/46/563855946.db2.gz KYWWDYSQUPSXBY-UHFFFAOYSA-N 0 0 320.392 4.224 50 0 DIAARN Clc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 ZINC000012940578 563858254 /nfs/dbraw/zinc/85/82/54/563858254.db2.gz CCRQPFNLHBXHHL-UHFFFAOYSA-N 0 0 301.802 4.222 50 0 DIAARN CCc1ccc(-c2nc(CN(C)c3nccs3)cs2)cc1 ZINC000075110242 563860187 /nfs/dbraw/zinc/86/01/87/563860187.db2.gz SVDHOICUSVQGOZ-UHFFFAOYSA-N 0 0 315.467 4.465 50 0 DIAARN C[C@H]1C[C@@H]1c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 ZINC000075134636 563860999 /nfs/dbraw/zinc/86/09/99/563860999.db2.gz GCGVPMCXKSWDRY-GWCFXTLKSA-N 0 0 318.336 4.063 50 0 DIAARN CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C ZINC000575473148 563861269 /nfs/dbraw/zinc/86/12/69/563861269.db2.gz IZHCBPDWNMXIJU-UHFFFAOYSA-N 0 0 311.381 4.017 50 0 DIAARN O=C([C@H]1CC=CCC1)N(CCc1cccs1)Cc1ccco1 ZINC000075170181 563861335 /nfs/dbraw/zinc/86/13/35/563861335.db2.gz ANJKABDHWFBFIP-HNNXBMFYSA-N 0 0 315.438 4.269 50 0 DIAARN Clc1ccc2c(c1)ON=C(c1ccc(Br)cc1)N2 ZINC000075249845 563861731 /nfs/dbraw/zinc/86/17/31/563861731.db2.gz ARCQIYMDSYXMQD-UHFFFAOYSA-N 0 0 323.577 4.269 50 0 DIAARN CCC(=O)N1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000075249399 563861738 /nfs/dbraw/zinc/86/17/38/563861738.db2.gz BAHVJWHAQCLNEW-INIZCTEOSA-N 0 0 311.406 4.193 50 0 DIAARN O=C1c2ccccc2[C@H]2O[C@@H](c3ccccc3)c3ccccc3N12 ZINC000075278522 563862132 /nfs/dbraw/zinc/86/21/32/563862132.db2.gz DFDNTTSDPJLILE-PZJWPPBQSA-N 0 0 313.356 4.465 50 0 DIAARN COc1ccc2ccncc2c1-c1c(OC)ccc2ccncc21 ZINC000075278474 563862183 /nfs/dbraw/zinc/86/21/83/563862183.db2.gz QGTIDPVWKPCAQG-UHFFFAOYSA-N 0 0 316.360 4.467 50 0 DIAARN COC(=O)[C@@H]1CC(/C=C/c2ccccc2)=N[C@H]1c1ccccc1 ZINC000075260283 563862211 /nfs/dbraw/zinc/86/22/11/563862211.db2.gz OYLFMTAITWQLSG-VUDPSUQNSA-N 0 0 305.377 4.075 50 0 DIAARN CC(=O)c1ccc(NC2=NC(=O)C[C@@H](c3ccccc3)S2)cc1 ZINC000075283740 563862660 /nfs/dbraw/zinc/86/26/60/563862660.db2.gz UHHGRMYRWWKTJS-INIZCTEOSA-N 0 0 324.405 4.062 50 0 DIAARN Fc1c(F)c(F)c2c(c1F)[C@H]1C=C[C@@]23CCc2cccc1c23 ZINC000075284251 563862961 /nfs/dbraw/zinc/86/29/61/563862961.db2.gz JTHJNJOAKPAKLL-NIVTXAMTSA-N 0 0 302.270 4.490 50 0 DIAARN CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@@H]2[C@H]1c1ccco1 ZINC000017173049 563863160 /nfs/dbraw/zinc/86/31/60/563863160.db2.gz XCUSOXGYBWDEPN-DPJPQZSBSA-N 0 0 324.380 4.262 50 0 DIAARN Cc1c(COC(C)C)cccc1NCc1nnsc1Cl ZINC000089116869 563863199 /nfs/dbraw/zinc/86/31/99/563863199.db2.gz AYVOUQCRJTWVHS-UHFFFAOYSA-N 0 0 311.838 4.037 50 0 DIAARN Cc1ccc2ccc3cc(C(=O)Nc4cccc(F)c4)[nH]c3c2n1 ZINC000075346781 563863636 /nfs/dbraw/zinc/86/36/36/563863636.db2.gz PSPIRDOYRGJNOB-UHFFFAOYSA-N 0 0 319.339 4.416 50 0 DIAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccc(Cl)cc1 ZINC000006199898 563863792 /nfs/dbraw/zinc/86/37/92/563863792.db2.gz GNROCHHGHQXURX-LBPRGKRZSA-N 0 0 317.791 4.390 50 0 DIAARN Fc1ccc2c(c1)[C@H](Nc1ncnc3ccsc31)CCCO2 ZINC000053583066 563864249 /nfs/dbraw/zinc/86/42/49/563864249.db2.gz UJRRSNWVLRKUTK-GFCCVEGCSA-N 0 0 315.373 4.156 50 0 DIAARN O=C(/C=C/c1cccs1)OCc1ncc(-c2ccccc2)o1 ZINC000007553415 563864285 /nfs/dbraw/zinc/86/42/85/563864285.db2.gz VVLAMEKRTYTVAJ-CMDGGOBGSA-N 0 0 311.362 4.160 50 0 DIAARN O=C(c1cccs1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000001651723 563864321 /nfs/dbraw/zinc/86/43/21/563864321.db2.gz UVOZQWBNNOMDKK-UHFFFAOYSA-N 0 0 314.410 4.001 50 0 DIAARN O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(F)c(F)c1 ZINC000575610500 563865562 /nfs/dbraw/zinc/86/55/62/563865562.db2.gz OQKWKOQPCWARLJ-UHFFFAOYSA-N 0 0 319.332 4.216 50 0 DIAARN CCn1cnc2cc(-c3noc(-c4cccc(Cl)c4)n3)ccc21 ZINC000035453403 563867434 /nfs/dbraw/zinc/86/74/34/563867434.db2.gz JEGXKTCSAUVNLJ-UHFFFAOYSA-N 0 0 324.771 4.427 50 0 DIAARN CCn1cnc2cc(-c3noc(Cc4ccc(C)cc4)n3)ccc21 ZINC000035453518 563867893 /nfs/dbraw/zinc/86/78/93/563867893.db2.gz PVISCUBOTNOXNJ-UHFFFAOYSA-N 0 0 318.380 4.005 50 0 DIAARN C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccsc1 ZINC000575620942 563868136 /nfs/dbraw/zinc/86/81/36/563868136.db2.gz NCNVTYAVYXABBB-NSHDSACASA-N 0 0 301.436 4.324 50 0 DIAARN CCC[C@H]1CCCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000069451686 563869127 /nfs/dbraw/zinc/86/91/27/563869127.db2.gz KXJSCEBGPJZYFV-LBPRGKRZSA-N 0 0 312.504 4.085 50 0 DIAARN COC(=O)c1c(NC2CCCCC2)onc1-c1ccc(F)cc1 ZINC000035509977 563871654 /nfs/dbraw/zinc/87/16/54/563871654.db2.gz DONYHBIUYVCSBS-UHFFFAOYSA-N 0 0 318.348 4.012 50 0 DIAARN CS[C@@H](C)CC(=O)NC(c1cccs1)c1cccs1 ZINC000122754515 563872370 /nfs/dbraw/zinc/87/23/70/563872370.db2.gz LVNAWCPSPHHQTD-JTQLQIEISA-N 0 0 311.497 4.157 50 0 DIAARN Cn1ccnc1SCc1csc(-c2ccccc2Cl)n1 ZINC000006370319 563872803 /nfs/dbraw/zinc/87/28/03/563872803.db2.gz QZVVXUZMHDXQAQ-UHFFFAOYSA-N 0 0 321.858 4.489 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012988594 563873301 /nfs/dbraw/zinc/87/33/01/563873301.db2.gz QMZWWGDNJBVARN-SMDDNHRTSA-N 0 0 314.351 4.083 50 0 DIAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(C2CC2)cs1 ZINC000026049482 563873348 /nfs/dbraw/zinc/87/33/48/563873348.db2.gz ZSUMVRHZUNVVRS-FPYGCLRLSA-N 0 0 304.802 4.326 50 0 DIAARN COc1cc(C(=O)Nc2nc3c(cccc3C)s2)ccc1C ZINC000013000735 563875034 /nfs/dbraw/zinc/87/50/34/563875034.db2.gz CAKZTJJIVDFKSP-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN O=c1[nH]c(C=Cc2cccc(Cl)c2Cl)nc2ccccc12 ZINC000035684648 563875164 /nfs/dbraw/zinc/87/51/64/563875164.db2.gz VDWWPMPZZQKUHX-HJWRWDBZSA-N 0 0 317.175 4.400 50 0 DIAARN CC(C)(C)NC(=O)CCc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000075478948 563876106 /nfs/dbraw/zinc/87/61/06/563876106.db2.gz MVLDTUBMWKUNSA-UHFFFAOYSA-N 0 0 321.424 4.077 50 0 DIAARN O=C(Nc1cccc2ncccc21)c1ccccc1OC(F)F ZINC000013011863 563876154 /nfs/dbraw/zinc/87/61/54/563876154.db2.gz WCSFFLGNPKCSJV-UHFFFAOYSA-N 0 0 314.291 4.089 50 0 DIAARN CCOc1ccccc1NC(=O)CCOc1ccc(C)c(C)c1 ZINC000013012524 563876177 /nfs/dbraw/zinc/87/61/77/563876177.db2.gz QPHKVUQNBPHFKQ-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000013017952 563876535 /nfs/dbraw/zinc/87/65/35/563876535.db2.gz JMPUDDNWSXDKFL-WOJBJXKFSA-N 0 0 305.421 4.374 50 0 DIAARN CSc1ncccc1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000013018090 563876647 /nfs/dbraw/zinc/87/66/47/563876647.db2.gz FSNFGNQXNGHBDQ-CYBMUJFWSA-N 0 0 322.433 4.448 50 0 DIAARN CCc1ccc(C(=O)Nc2cc(-c3cc[nH]n3)sc2C)cc1 ZINC000075519279 563878749 /nfs/dbraw/zinc/87/87/49/563878749.db2.gz OZYSSVFGPBAUSM-UHFFFAOYSA-N 0 0 311.410 4.261 50 0 DIAARN COc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)cc1 ZINC000000521438 563879209 /nfs/dbraw/zinc/87/92/09/563879209.db2.gz HBLAHAAAVMQJQO-UHFFFAOYSA-N 0 0 303.789 4.342 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H]2c2ccccn2)o1 ZINC000239367320 563879972 /nfs/dbraw/zinc/87/99/72/563879972.db2.gz AIFPTSBRZJKFMB-KYJSFNMBSA-N 0 0 324.424 4.094 50 0 DIAARN O=C(CCc1ccc2cc[nH]c2c1)NCc1ccc(Cl)cc1 ZINC000075550829 563883860 /nfs/dbraw/zinc/88/38/60/563883860.db2.gz MNPMXIYBRAPHRU-UHFFFAOYSA-N 0 0 312.800 4.070 50 0 DIAARN CCn1ccc2cc(CCC(=O)NCc3ccc(F)cc3)ccc21 ZINC000075550630 563884050 /nfs/dbraw/zinc/88/40/50/563884050.db2.gz CQYFEQOIWIMDNL-UHFFFAOYSA-N 0 0 324.399 4.049 50 0 DIAARN COc1ccc2c(c1)CCCC2=NNc1ccc2ccccc2n1 ZINC000252475267 563885715 /nfs/dbraw/zinc/88/57/15/563885715.db2.gz XKGUGFYKZUCXPZ-UHFFFAOYSA-N 0 0 317.392 4.396 50 0 DIAARN COC(=O)N1CCc2nc3ccccc3c(-c3ccccc3)c2C1 ZINC000089401085 563885750 /nfs/dbraw/zinc/88/57/50/563885750.db2.gz QMPDBFKMYUMPKI-UHFFFAOYSA-N 0 0 318.376 4.026 50 0 DIAARN CCC(C)(C)C1CCC(NC(=O)/C=C/c2cccnc2)CC1 ZINC000026895984 563886205 /nfs/dbraw/zinc/88/62/05/563886205.db2.gz RTXFFWSNJKJCHS-KPKJPENVSA-N 0 0 300.446 4.206 50 0 DIAARN CCOc1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000000293492 563886566 /nfs/dbraw/zinc/88/65/66/563886566.db2.gz QTXQKUNJVNTGPB-UHFFFAOYSA-N 0 0 306.409 4.125 50 0 biogenic DIAARN CC(=O)Oc1ccc2c(c1)occ(-c1cc3ccccc3o1)c2=O ZINC000000138808 563886788 /nfs/dbraw/zinc/88/67/88/563886788.db2.gz QFXMGXDJEBPJBD-UHFFFAOYSA-N 0 0 320.300 4.132 50 0 biogenic DIAARN CCc1c(C)c2ccc(OCc3ccccc3OC)cc2oc1=O ZINC000000488502 563887115 /nfs/dbraw/zinc/88/71/15/563887115.db2.gz URDRWRKMMWXXIK-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN CCc1cc(=O)oc2cc(C)cc(OCc3ccc(OC)cc3)c12 ZINC000000488959 563887117 /nfs/dbraw/zinc/88/71/17/563887117.db2.gz ZWXFVXNGHOUJDX-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN CO[C@@H](c1nnc(COc2cc(C)cc(C)c2)o1)c1ccccc1 ZINC000521393789 563887819 /nfs/dbraw/zinc/88/78/19/563887819.db2.gz ZXFGPEBAVGKFNM-GOSISDBHSA-N 0 0 324.380 4.001 50 0 DIAARN C[C@@H](Oc1ccc2ccccc2c1)c1nnc([C@H]2CCCOC2)o1 ZINC000521393876 563887900 /nfs/dbraw/zinc/88/79/00/563887900.db2.gz FKWFHJJFNHIRGE-CJNGLKHVSA-N 0 0 324.380 4.257 50 0 DIAARN C1CC1c1nc2sc3c(c2c(N2CCCCC2)n1)CCCC3 ZINC000035848769 563889372 /nfs/dbraw/zinc/88/93/72/563889372.db2.gz IZTPBGDQUWKKEW-UHFFFAOYSA-N 0 0 313.470 4.438 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000002030196 563890286 /nfs/dbraw/zinc/89/02/86/563890286.db2.gz PBNQPBIBTPLVRC-UHFFFAOYSA-N 0 0 319.430 4.093 50 0 DIAARN C/C=C\Cn1c(C(=O)N[C@H](C)CC)cc2c1cccc2OCC ZINC000035927899 563890329 /nfs/dbraw/zinc/89/03/29/563890329.db2.gz RMPCEPAIGYBYGD-BMWLXYDHSA-N 0 0 314.429 4.144 50 0 DIAARN CCOc1ccccc1NC(=O)CNc1ccc(C)cc1Cl ZINC000007972380 563890448 /nfs/dbraw/zinc/89/04/48/563890448.db2.gz LDVUJEXZRYMXLG-UHFFFAOYSA-N 0 0 318.804 4.098 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc12 ZINC000006727307 563894139 /nfs/dbraw/zinc/89/41/39/563894139.db2.gz BTOVPKVJYPZHJA-AWEZNQCLSA-N 0 0 306.409 4.286 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000006767537 563894777 /nfs/dbraw/zinc/89/47/77/563894777.db2.gz LRBYHMIIGGKLFD-UHFFFAOYSA-N 0 0 315.442 4.003 50 0 DIAARN Cc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1ccccn1 ZINC000006745329 563894799 /nfs/dbraw/zinc/89/47/99/563894799.db2.gz GZFJUMONKXHIKO-LJQANCHMSA-N 0 0 315.376 4.161 50 0 DIAARN CC[C@@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000006745661 563894827 /nfs/dbraw/zinc/89/48/27/563894827.db2.gz JKUUZQVGGIOKER-MRXNPFEDSA-N 0 0 318.779 4.321 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cncc(-c2ccc(F)cc2)c1 ZINC000036348848 563895357 /nfs/dbraw/zinc/89/53/57/563895357.db2.gz GXTSCKVKIXUWND-UHFFFAOYSA-N 0 0 310.303 4.279 50 0 DIAARN CC[C@H](C)NC(=O)c1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000036346925 563895510 /nfs/dbraw/zinc/89/55/10/563895510.db2.gz JRJPKMGFGUYIOS-NSHDSACASA-N 0 0 322.330 4.296 50 0 DIAARN CC(C)c1nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2o1 ZINC000064968242 563895553 /nfs/dbraw/zinc/89/55/53/563895553.db2.gz JPWKKZFTJFXLMI-UHFFFAOYSA-N 0 0 316.307 4.482 50 0 DIAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccccc2)c1 ZINC000036357294 563896247 /nfs/dbraw/zinc/89/62/47/563896247.db2.gz NFZWKQOXQYNFNT-INIZCTEOSA-N 0 0 319.364 4.005 50 0 DIAARN COc1cccc(NC(=O)N2C[C@H](C)Sc3ccccc32)c1 ZINC000006876886 563897966 /nfs/dbraw/zinc/89/79/66/563897966.db2.gz OCVRYRDOUXKLFD-LBPRGKRZSA-N 0 0 314.410 4.228 50 0 DIAARN COc1ccc(C)cc1[C@H](C)NC(=O)CCCc1ccccc1 ZINC000036391027 563898009 /nfs/dbraw/zinc/89/80/09/563898009.db2.gz NFAQYHYYLCPEBQ-INIZCTEOSA-N 0 0 311.425 4.204 50 0 DIAARN CCn1cc(Nc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000036395266 563898263 /nfs/dbraw/zinc/89/82/63/563898263.db2.gz UUMVSFJWNHEBIM-UHFFFAOYSA-N 0 0 321.409 4.318 50 0 DIAARN CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1 ZINC000036394041 563898281 /nfs/dbraw/zinc/89/82/81/563898281.db2.gz FKDDUMVRTGSNKA-INIZCTEOSA-N 0 0 316.401 4.496 50 0 DIAARN Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000036393421 563898439 /nfs/dbraw/zinc/89/84/39/563898439.db2.gz PGDQRLNFFIHMKQ-QWHCGFSZSA-N 0 0 318.367 4.395 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1F ZINC000036393396 563898450 /nfs/dbraw/zinc/89/84/50/563898450.db2.gz XAQLAPPWWPEIJD-UHFFFAOYSA-N 0 0 306.768 4.106 50 0 DIAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 ZINC000006888740 563898719 /nfs/dbraw/zinc/89/87/19/563898719.db2.gz SONNYPUEXHWBIR-UHFFFAOYSA-N 0 0 303.736 4.460 50 0 DIAARN Cc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137123 563899650 /nfs/dbraw/zinc/89/96/50/563899650.db2.gz DGSMMYPXUBEECB-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN Cc1ccc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000006934666 563899780 /nfs/dbraw/zinc/89/97/80/563899780.db2.gz PMONMXYZQWVVNB-UHFFFAOYSA-N 0 0 310.393 4.279 50 0 DIAARN CCCCN(CCCC)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000006942548 563900012 /nfs/dbraw/zinc/90/00/12/563900012.db2.gz SQBJOUXOQZBLCD-UHFFFAOYSA-N 0 0 317.408 4.258 50 0 DIAARN CCCn1cc(C(=O)Nc2cccc(Cl)c2)c2cccnc21 ZINC000065216742 563900861 /nfs/dbraw/zinc/90/08/61/563900861.db2.gz VTPFRXABXPLTCE-UHFFFAOYSA-N 0 0 313.788 4.352 50 0 DIAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000006997287 563900918 /nfs/dbraw/zinc/90/09/18/563900918.db2.gz OGGGSDPIMHWUSG-UHFFFAOYSA-N 0 0 315.756 4.485 50 0 DIAARN CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21 ZINC000065216685 563901017 /nfs/dbraw/zinc/90/10/17/563901017.db2.gz AHBFHUFSXJNCRH-UHFFFAOYSA-N 0 0 317.751 4.101 50 0 DIAARN Cc1cc(NC(=O)c2cccc(C)c2)n(-c2ccc(C)cc2)n1 ZINC000036632724 563901756 /nfs/dbraw/zinc/90/17/56/563901756.db2.gz TWFFQRCCPBEOCF-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN COc1ccc(NC(=O)c2nc(C3CCC3)oc2C)cc1Cl ZINC000065293530 563902727 /nfs/dbraw/zinc/90/27/27/563902727.db2.gz RIZDUFMIYGOJKB-UHFFFAOYSA-N 0 0 320.776 4.165 50 0 DIAARN Cc1cc2occ(CC(=O)NCCc3cccs3)c2cc1C ZINC000036712667 563903540 /nfs/dbraw/zinc/90/35/40/563903540.db2.gz PKWVHPGIZOGKNQ-UHFFFAOYSA-N 0 0 313.422 4.013 50 0 DIAARN CCCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000036714438 563903669 /nfs/dbraw/zinc/90/36/69/563903669.db2.gz FAOWYPPUKLAWJD-UHFFFAOYSA-N 0 0 316.470 4.316 50 0 DIAARN C[C@@H](O)CN=c1cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000238882032 563903981 /nfs/dbraw/zinc/90/39/81/563903981.db2.gz BVYUNABCYSKLSX-GFCCVEGCSA-N 0 0 313.784 4.035 50 0 DIAARN O=C(CCc1ccc(F)c(Cl)c1)N1CCC(=C2CC2)CC1 ZINC000238870360 563904026 /nfs/dbraw/zinc/90/40/26/563904026.db2.gz MTEWXQNHUZEDGZ-UHFFFAOYSA-N 0 0 307.796 4.125 50 0 DIAARN CC[C@H](NC(=O)C[C@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036752656 563904028 /nfs/dbraw/zinc/90/40/28/563904028.db2.gz NLGGYOWEYQKNGW-HYLHYLHVSA-N 0 0 301.474 4.454 50 0 DIAARN COc1ccc(-c2oc3ncnc(N)c3c2-c2ccccc2)cc1 ZINC000002870723 563904053 /nfs/dbraw/zinc/90/40/53/563904053.db2.gz FXZGACQGWCUFQC-UHFFFAOYSA-N 0 0 317.348 4.148 50 0 DIAARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(=C2CC2)CC1 ZINC000238973380 563904550 /nfs/dbraw/zinc/90/45/50/563904550.db2.gz ZPVFNNJYJXBLNH-UHFFFAOYSA-N 0 0 323.358 4.351 50 0 DIAARN CC[C@H](C)[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000007305804 563905038 /nfs/dbraw/zinc/90/50/38/563905038.db2.gz MCAOELKIXCXSQQ-KXBFYZLASA-N 0 0 311.425 4.141 50 0 DIAARN COc1ccc2[nH]c(SCc3cc(C)ccc3OC)nc2c1 ZINC000007286833 563905128 /nfs/dbraw/zinc/90/51/28/563905128.db2.gz ZEKIBKYKOFKQJH-UHFFFAOYSA-N 0 0 314.410 4.181 50 0 DIAARN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC1(Cl)Cl ZINC000007344708 563905367 /nfs/dbraw/zinc/90/53/67/563905367.db2.gz BQQBKLLESZFEFP-CQSZACIVSA-N 0 0 320.219 4.410 50 0 DIAARN Cc1cc(C)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1C ZINC000007364373 563905430 /nfs/dbraw/zinc/90/54/30/563905430.db2.gz LSVHRSMKRQSCJO-IBGZPJMESA-N 0 0 306.409 4.341 50 0 DIAARN Cc1ccc2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1 ZINC000007342802 563905470 /nfs/dbraw/zinc/90/54/70/563905470.db2.gz PPYUJVQEHGFFDG-UHFFFAOYSA-N 0 0 304.349 4.262 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(C)c2C)c1C ZINC000007370197 563905528 /nfs/dbraw/zinc/90/55/28/563905528.db2.gz LHXAVZWWSVOYGG-CQSZACIVSA-N 0 0 312.413 4.134 50 0 DIAARN Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000007428499 563906291 /nfs/dbraw/zinc/90/62/91/563906291.db2.gz DCAVEVSKIBZEMK-UHFFFAOYSA-N 0 0 307.390 4.058 50 0 DIAARN C[C@@H](Nc1cccc(C[S@@](C)=O)c1)c1ccc(F)cc1F ZINC000170592784 563906639 /nfs/dbraw/zinc/90/66/39/563906639.db2.gz AMWIJYVHPIIGFY-WSVYEEACSA-N 0 0 309.381 4.016 50 0 DIAARN Fc1ccc2ncnc(NCCc3nc4ccccc4s3)c2c1 ZINC000170591491 563906688 /nfs/dbraw/zinc/90/66/88/563906688.db2.gz QGEXXDWRDVWJAY-UHFFFAOYSA-N 0 0 324.384 4.033 50 0 DIAARN COC(=O)N(C)c1ccc(NCC(C)(C)c2ccccc2)cc1 ZINC000170591648 563906705 /nfs/dbraw/zinc/90/67/05/563906705.db2.gz JLUVVCQBZDJPFP-UHFFFAOYSA-N 0 0 312.413 4.279 50 0 DIAARN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1cccnc1 ZINC000170596156 563907016 /nfs/dbraw/zinc/90/70/16/563907016.db2.gz ZCVQVUYLEJFLPJ-GHTZIAJQSA-N 0 0 322.452 4.090 50 0 DIAARN Fc1cccc(CCNc2ncnc3cc(Cl)ccc32)c1 ZINC000170596985 563907019 /nfs/dbraw/zinc/90/70/19/563907019.db2.gz RZWOTULDRYWRST-UHFFFAOYSA-N 0 0 301.752 4.077 50 0 DIAARN CCCCCC(=O)NC(C)(C)CN(C(=O)CCCCC)C1CC1 ZINC000170595607 563907097 /nfs/dbraw/zinc/90/70/97/563907097.db2.gz LQBQVJUSFINETN-UHFFFAOYSA-N 0 0 324.509 4.033 50 0 DIAARN CC(=O)c1sccc1OCc1nc2cc(Cl)ccc2n1C ZINC000170598580 563907179 /nfs/dbraw/zinc/90/71/79/563907179.db2.gz MNNAGTULXAGORD-UHFFFAOYSA-N 0 0 320.801 4.070 50 0 DIAARN Fc1ccc(F)c(SCc2ccc(-n3cccn3)cc2)c1 ZINC000170595874 563907185 /nfs/dbraw/zinc/90/71/85/563907185.db2.gz WYIPTAKNRMBLCG-UHFFFAOYSA-N 0 0 302.349 4.443 50 0 DIAARN Cc1cccc2ncnc(N3CC[C@H](C(F)(F)F)C3(C)C)c12 ZINC000170610795 563907724 /nfs/dbraw/zinc/90/77/24/563907724.db2.gz XVOMXBHHAXKTTI-LBPRGKRZSA-N 0 0 309.335 4.105 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc2c(O)cccc12 ZINC000007519927 563907774 /nfs/dbraw/zinc/90/77/74/563907774.db2.gz LSAAWOVDWYGGFQ-SWLSCSKDSA-N 0 0 314.454 4.411 50 0 DIAARN Cc1ccc(Cl)c(NCc2nc(C(C)C)no2)c1Cl ZINC000170616336 563908386 /nfs/dbraw/zinc/90/83/86/563908386.db2.gz OFDSORQXXQOMHA-UHFFFAOYSA-N 0 0 300.189 4.420 50 0 DIAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cccc(Cl)c1 ZINC000170620056 563908640 /nfs/dbraw/zinc/90/86/40/563908640.db2.gz JGPHHWIHRHUDSA-GOSISDBHSA-N 0 0 312.800 4.346 50 0 DIAARN CCS[C@@H]1CCCCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC000170625534 563908728 /nfs/dbraw/zinc/90/87/28/563908728.db2.gz KPUBCJJGCAHVBM-PMPSAXMXSA-N 0 0 309.519 4.359 50 0 DIAARN CC(C)COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 ZINC000170625840 563908735 /nfs/dbraw/zinc/90/87/35/563908735.db2.gz SWEHFZSTKFUIGG-UHFFFAOYSA-N 0 0 310.349 4.200 50 0 DIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1csc(C2CC2)n1 ZINC000170626307 563908838 /nfs/dbraw/zinc/90/88/38/563908838.db2.gz FFEXTVVGVFLXCH-KZVDOYCCSA-N 0 0 321.490 4.205 50 0 DIAARN Cc1nc2c(cc(-c3nc(Cl)ncc3F)cc2F)n1C(C)C ZINC000143696294 563908965 /nfs/dbraw/zinc/90/89/65/563908965.db2.gz BDVDXNYOCBUMNP-UHFFFAOYSA-N 0 0 322.746 4.314 50 0 DIAARN O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000010216921 563909244 /nfs/dbraw/zinc/90/92/44/563909244.db2.gz NHTWPHUTAKFJDR-HIFRSBDPSA-N 0 0 312.438 4.316 50 0 DIAARN O=C(NCCc1cccs1)c1cc2c(cccc2F)s1 ZINC000010218522 563909278 /nfs/dbraw/zinc/90/92/78/563909278.db2.gz JIRBCSQLCVLTHI-UHFFFAOYSA-N 0 0 305.399 4.074 50 0 DIAARN COc1cc(OC)c(NC(=O)Nc2cccc(C)c2)cc1Cl ZINC000013321286 563909507 /nfs/dbraw/zinc/90/95/07/563909507.db2.gz XBCRKBBUTDYVJZ-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccn1 ZINC000013331892 563909682 /nfs/dbraw/zinc/90/96/82/563909682.db2.gz CYFXDQGTGKZLMY-VIFPVBQESA-N 0 0 310.184 4.271 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F ZINC000013736991 563909917 /nfs/dbraw/zinc/90/99/17/563909917.db2.gz KAXQAXVKWBLJFJ-UHFFFAOYSA-N 0 0 324.258 4.078 50 0 DIAARN Cc1ccc(CNC(=O)Nc2ccccc2Br)cc1 ZINC000013745452 563910089 /nfs/dbraw/zinc/91/00/89/563910089.db2.gz ZLCYTUNZGWPHPU-UHFFFAOYSA-N 0 0 319.202 4.079 50 0 DIAARN Cc1ccc(SCC(=O)Nc2cncc3ccccc32)cc1 ZINC000089639232 563910958 /nfs/dbraw/zinc/91/09/58/563910958.db2.gz CJKJAQQGQCFKIU-UHFFFAOYSA-N 0 0 308.406 4.274 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000089774654 563911287 /nfs/dbraw/zinc/91/12/87/563911287.db2.gz LLDPMJZKMYPPMK-FZMZJTMJSA-N 0 0 322.742 4.296 50 0 DIAARN Fc1cccc(F)c1CN(Cc1ccncc1)C1CCCC1 ZINC000089768117 563911345 /nfs/dbraw/zinc/91/13/45/563911345.db2.gz STRCOOUPHUUECT-UHFFFAOYSA-N 0 0 302.368 4.305 50 0 DIAARN CN(C(=O)Nc1ccccc1N1CCCC1)C1CCCCC1 ZINC000076035473 563911956 /nfs/dbraw/zinc/91/19/56/563911956.db2.gz KPBFOCXFTSKIPD-UHFFFAOYSA-N 0 0 301.434 4.083 50 0 DIAARN CC(=O)c1c(F)cccc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000089937044 563912374 /nfs/dbraw/zinc/91/23/74/563912374.db2.gz BYKZATKQQYIETI-MEDUHNTESA-N 0 0 319.401 4.056 50 0 DIAARN C[C@@H]1CN(c2ccccc2CNc2ccc(F)cc2)C[C@H](C)O1 ZINC000089936857 563912391 /nfs/dbraw/zinc/91/23/91/563912391.db2.gz OFTDESNYWQFRMO-GASCZTMLSA-N 0 0 314.404 4.051 50 0 DIAARN Cc1noc([C@@H](C)SCc2cc(-c3cccs3)on2)n1 ZINC000076323142 563912764 /nfs/dbraw/zinc/91/27/64/563912764.db2.gz MKSCGCOYIUAQLX-MRVPVSSYSA-N 0 0 307.400 4.089 50 0 DIAARN COC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)cc21 ZINC000002877377 563913036 /nfs/dbraw/zinc/91/30/36/563913036.db2.gz WTPJASOHPLMTDL-UHFFFAOYSA-N 0 0 315.756 4.085 50 0 DIAARN COc1ccc(-c2cc(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000002870658 563913089 /nfs/dbraw/zinc/91/30/89/563913089.db2.gz DNXIOVRFAHLVLH-UHFFFAOYSA-N 0 0 315.376 4.380 50 0 DIAARN COc1ccc2cc(C(=O)NCCC3=CCCCC3)c(C)nc2c1 ZINC000027107772 563913147 /nfs/dbraw/zinc/91/31/47/563913147.db2.gz OECLBYFAXIETSE-UHFFFAOYSA-N 0 0 324.424 4.172 50 0 DIAARN Cc1cccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 ZINC000002116879 563914630 /nfs/dbraw/zinc/91/46/30/563914630.db2.gz RKVGHQATDQDRAN-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN Cc1ccc(C)c(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 ZINC000002121110 563914857 /nfs/dbraw/zinc/91/48/57/563914857.db2.gz MLTZTRYTIVCMFD-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN Clc1ccsc1CNCc1csc(-c2ccco2)n1 ZINC000193153753 563915127 /nfs/dbraw/zinc/91/51/27/563915127.db2.gz WHUZCGYXLOMMFX-UHFFFAOYSA-N 0 0 310.831 4.408 50 0 DIAARN CC(=O)Nc1cc2c(cc1Br)-c1ccc(F)cc1C2 ZINC000000398873 563915474 /nfs/dbraw/zinc/91/54/74/563915474.db2.gz SQCSAVDHXLGTOS-UHFFFAOYSA-N 0 0 320.161 4.118 50 0 DIAARN CSc1ccc(CNc2ncnc3cc(F)c(F)cc32)cc1 ZINC000170642788 563915584 /nfs/dbraw/zinc/91/55/84/563915584.db2.gz LJSXOMPCXMECDU-UHFFFAOYSA-N 0 0 317.364 4.242 50 0 DIAARN CCN(C(=O)CSCc1ccccn1)c1ccccc1Cl ZINC000252485993 563915909 /nfs/dbraw/zinc/91/59/09/563915909.db2.gz HGURCQRASRSORV-UHFFFAOYSA-N 0 0 320.845 4.021 50 0 DIAARN O=C(C1CCC1)N1[C@@H]2CCCC[C@H]2C[C@H]1c1nc2ccccc2[nH]1 ZINC000252498055 563916240 /nfs/dbraw/zinc/91/62/40/563916240.db2.gz LYUZNTSJFSMTOL-QGTPRVQTSA-N 0 0 323.440 4.195 50 0 DIAARN Cc1nc(C2CC2)oc1C(=O)N1CCCC[C@H]2CCCC[C@H]21 ZINC000252527823 563916827 /nfs/dbraw/zinc/91/68/27/563916827.db2.gz DLICUDJEIGAGDD-UKRRQHHQSA-N 0 0 302.418 4.045 50 0 DIAARN CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc2[nH]c(C)cc2c1 ZINC000170650939 563916941 /nfs/dbraw/zinc/91/69/41/563916941.db2.gz DGNLMKKVTUNUOH-PBHICJAKSA-N 0 0 313.445 4.068 50 0 DIAARN O=C(c1ccn(C2CCCC2)n1)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000252532868 563917009 /nfs/dbraw/zinc/91/70/09/563917009.db2.gz FJCCQXHUKZSPCI-QAPCUYQASA-N 0 0 315.461 4.183 50 0 DIAARN CN=c1sc(-c2ccc(F)cc2)c(C)n1Cc1ccccc1 ZINC000252593567 563917415 /nfs/dbraw/zinc/91/74/15/563917415.db2.gz BKZJLMMWRVJIML-UHFFFAOYSA-N 0 0 312.413 4.243 50 0 DIAARN CCn1c(SCc2nc3ccccc3s2)nnc1C1CC1 ZINC000007618208 563917434 /nfs/dbraw/zinc/91/74/34/563917434.db2.gz YXDHBJBZCDFEBF-UHFFFAOYSA-N 0 0 316.455 4.077 50 0 DIAARN O=C(Nc1nc(-c2cccs2)cs1)c1cc(F)cc(F)c1 ZINC000007670491 563917881 /nfs/dbraw/zinc/91/78/81/563917881.db2.gz GALLNCOIFGKDSN-UHFFFAOYSA-N 0 0 322.361 4.402 50 0 DIAARN COc1cccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1O ZINC000007719276 563918073 /nfs/dbraw/zinc/91/80/73/563918073.db2.gz TWZHJEMVUJAOFK-ZDUSSCGKSA-N 0 0 321.376 4.045 50 0 DIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1 ZINC000007706038 563918092 /nfs/dbraw/zinc/91/80/92/563918092.db2.gz FQFGSVUUGJFGSK-NSHDSACASA-N 0 0 314.385 4.269 50 0 DIAARN CCCNC(=O)c1cc2sccc2n1Cc1ccccc1C ZINC000037526381 563918191 /nfs/dbraw/zinc/91/81/91/563918191.db2.gz WFYGPJNAVXOTHW-UHFFFAOYSA-N 0 0 312.438 4.199 50 0 DIAARN Cc1cc2nc(Sc3ccc(F)cc3)c3ccccc3n2n1 ZINC000007735858 563918466 /nfs/dbraw/zinc/91/84/66/563918466.db2.gz GYFVJBHGGSUZFB-UHFFFAOYSA-N 0 0 309.369 4.481 50 0 DIAARN Cc1cc(-c2csc(-c3ccccc3)n2)c(C)n1-c1nc[nH]n1 ZINC000007736092 563918494 /nfs/dbraw/zinc/91/84/94/563918494.db2.gz KQQFOLLBAQYGDA-UHFFFAOYSA-N 0 0 321.409 4.003 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1cnc(Cl)c(Cl)c1 ZINC000007767968 563918963 /nfs/dbraw/zinc/91/89/63/563918963.db2.gz TZAFOGKZLOESJY-UHFFFAOYSA-N 0 0 324.192 4.250 50 0 DIAARN Cc1nc2ccccc2c(S[C@H](C)C(=O)c2ccccc2)n1 ZINC000007777262 563919056 /nfs/dbraw/zinc/91/90/56/563919056.db2.gz OIHVQHWPJMBOJW-GFCCVEGCSA-N 0 0 308.406 4.302 50 0 DIAARN Cc1ccc(C)c([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 ZINC000007785787 563919292 /nfs/dbraw/zinc/91/92/92/563919292.db2.gz BLFUDQBPMQQOBE-QZTJIDSGSA-N 0 0 304.397 4.041 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000007782357 563919308 /nfs/dbraw/zinc/91/93/08/563919308.db2.gz WRMDXSUWBDODMX-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN Cc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)s1 ZINC000195559001 563919807 /nfs/dbraw/zinc/91/98/07/563919807.db2.gz ORIUWJYEQHSIMP-IBGZPJMESA-N 0 0 313.875 4.201 50 0 DIAARN Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)s1 ZINC000195558999 563919866 /nfs/dbraw/zinc/91/98/66/563919866.db2.gz ORIUWJYEQHSIMP-LJQANCHMSA-N 0 0 313.875 4.201 50 0 DIAARN c1ccc(OCCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000007833333 563920055 /nfs/dbraw/zinc/92/00/55/563920055.db2.gz YLLTULMEGZHDAZ-UHFFFAOYSA-N 0 0 311.410 4.033 50 0 DIAARN Cc1ccccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000007918109 563920666 /nfs/dbraw/zinc/92/06/66/563920666.db2.gz VLVKMGWWTGTCEY-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN CCCCNc1c2c(nc3c(-c4ccccc4)c(C)nn31)CCC2 ZINC000002242069 563920749 /nfs/dbraw/zinc/92/07/49/563920749.db2.gz WBDPNFYOHPAAOI-UHFFFAOYSA-N 0 0 320.440 4.405 50 0 DIAARN COc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1OC ZINC000002686548 563920787 /nfs/dbraw/zinc/92/07/87/563920787.db2.gz WVIYJGYAUZWYSO-UHFFFAOYSA-N 0 0 312.394 4.219 50 0 DIAARN COc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1F ZINC000007919683 563920833 /nfs/dbraw/zinc/92/08/33/563920833.db2.gz ZIEYIGPPZVAVNN-UHFFFAOYSA-N 0 0 301.361 4.139 50 0 DIAARN Cc1cccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)c1 ZINC000027519682 563921115 /nfs/dbraw/zinc/92/11/15/563921115.db2.gz LCHBHFWIDYRVOG-LSQIQBGYSA-N 0 0 323.779 4.462 50 0 DIAARN C=C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000016889983 563923666 /nfs/dbraw/zinc/92/36/66/563923666.db2.gz ILGPJZIKYMIGMU-PZAQWVNCSA-N 0 0 314.469 4.435 50 0 DIAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]21 ZINC000101365123 563924187 /nfs/dbraw/zinc/92/41/87/563924187.db2.gz AZQAIRJYCUWZPD-WAPOTWQKSA-N 0 0 300.442 4.302 50 0 DIAARN COc1cccc2c1O[C@@H](C(C)C)N1N=C(c3ccccc3)C[C@H]21 ZINC000100738541 563924243 /nfs/dbraw/zinc/92/42/43/563924243.db2.gz HMYJRLOFUIUWFT-XLIONFOSSA-N 0 0 322.408 4.221 50 0 DIAARN CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccccc1 ZINC000002283388 563924888 /nfs/dbraw/zinc/92/48/88/563924888.db2.gz XYAUTAKAOZYYTJ-HNNXBMFYSA-N 0 0 300.335 4.216 50 0 DIAARN CC(C)c1ccoc1C(=O)Nc1c(-c2ccccc2)ncn1C ZINC000253416206 563924989 /nfs/dbraw/zinc/92/49/89/563924989.db2.gz XWOQZYWIMOTYPB-UHFFFAOYSA-N 0 0 309.369 4.056 50 0 DIAARN O=C(Nc1ncccc1-c1ccccc1)[C@@H]1Cc2ccccc21 ZINC000253425636 563925150 /nfs/dbraw/zinc/92/51/50/563925150.db2.gz JSXYUFGOXUCQLU-GOSISDBHSA-N 0 0 300.361 4.027 50 0 DIAARN O=C(Nc1ncccc1-c1ccccc1)[C@H]1Cc2ccccc21 ZINC000253425638 563925231 /nfs/dbraw/zinc/92/52/31/563925231.db2.gz JSXYUFGOXUCQLU-SFHVURJKSA-N 0 0 300.361 4.027 50 0 DIAARN CCCCOCc1ccc(CP(=O)(OCC)OCC)o1 ZINC000002299449 563925710 /nfs/dbraw/zinc/92/57/10/563925710.db2.gz WXSHRMQLNNUCOH-UHFFFAOYSA-N 0 0 304.323 4.362 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 ZINC000253499792 563926435 /nfs/dbraw/zinc/92/64/35/563926435.db2.gz NJVFRSJSXBLKOW-QYYVTAPASA-N 0 0 314.469 4.245 50 0 biogenic DIAARN CCCCC[C@H]1C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O ZINC000002375180 563927384 /nfs/dbraw/zinc/92/73/84/563927384.db2.gz OTOSIXWPCRAVKE-STQMWFEESA-N 0 0 318.442 4.167 50 0 DIAARN Cc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1C ZINC000055123715 563927443 /nfs/dbraw/zinc/92/74/43/563927443.db2.gz ICBJDTXGCRFNHV-UHFFFAOYSA-N 0 0 309.409 4.029 50 0 DIAARN CCCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000002394996 563927964 /nfs/dbraw/zinc/92/79/64/563927964.db2.gz YJPHUJGOALBHKC-UHFFFAOYSA-N 0 0 306.409 4.345 50 0 DIAARN COc1nc2ccc(C)cc2cc1-c1noc(-c2cccs2)n1 ZINC000002423159 563928097 /nfs/dbraw/zinc/92/80/97/563928097.db2.gz MCFWRYVJBNQKCG-UHFFFAOYSA-N 0 0 323.377 4.330 50 0 DIAARN O=C(NCC1CCCC1)c1cccnc1SC1CCCC1 ZINC000055298481 563928459 /nfs/dbraw/zinc/92/84/59/563928459.db2.gz ZOESIWMCICPVFX-UHFFFAOYSA-N 0 0 304.459 4.036 50 0 DIAARN CC[C@@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn31)CCC2 ZINC000002442252 563928575 /nfs/dbraw/zinc/92/85/75/563928575.db2.gz WMAJCZDQNGXZKD-CYBMUJFWSA-N 0 0 320.440 4.404 50 0 DIAARN Cc1ccc(-c2nnc(SCc3cccc(C)c3)n2C)cc1 ZINC000002447143 563928722 /nfs/dbraw/zinc/92/87/22/563928722.db2.gz GOLJTNYZLPNWDS-UHFFFAOYSA-N 0 0 309.438 4.391 50 0 DIAARN CCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000012942155 563929039 /nfs/dbraw/zinc/92/90/39/563929039.db2.gz PSQLIDMKCJJIDF-UHFFFAOYSA-N 0 0 322.360 4.335 50 0 DIAARN Cc1cc(OCC(=O)NC2CCC(C)CC2)cc(C(C)C)c1 ZINC000013165416 563929391 /nfs/dbraw/zinc/92/93/91/563929391.db2.gz WWQSVUTXKKFMTH-UHFFFAOYSA-N 0 0 303.446 4.192 50 0 DIAARN CC(=O)Nc1ccc(SCc2nc3ccccc3nc2C)cc1 ZINC000013365387 563929454 /nfs/dbraw/zinc/92/94/54/563929454.db2.gz KSBNRBMUJZMPKI-UHFFFAOYSA-N 0 0 323.421 4.189 50 0 DIAARN Cc1nn(C)c(NC(=O)c2ccc(C)cc2)c1C1=CCCCC1 ZINC000013365402 563929552 /nfs/dbraw/zinc/92/95/52/563929552.db2.gz HBJPBNXTSOBDNU-UHFFFAOYSA-N 0 0 309.413 4.247 50 0 DIAARN CCOc1ccccc1-c1nnc(-c2ccccc2Cl)o1 ZINC000013364296 563929574 /nfs/dbraw/zinc/92/95/74/563929574.db2.gz PSHAMFVGXLYDCN-UHFFFAOYSA-N 0 0 300.745 4.456 50 0 DIAARN O=C(NCC1CCCCC1)c1cnc(-c2ccccc2F)s1 ZINC000078702648 563929984 /nfs/dbraw/zinc/92/99/84/563929984.db2.gz DPSIIPPMKHVQDI-UHFFFAOYSA-N 0 0 318.417 4.259 50 0 DIAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000078954105 563930080 /nfs/dbraw/zinc/93/00/80/563930080.db2.gz XLNCYVIHCQOVSB-WQVCFCJDSA-N 0 0 318.465 4.266 50 0 DIAARN Cc1cccc([C@H]2CCCN2Cc2cnn(C)c2C(F)(F)F)c1 ZINC000079092939 563930266 /nfs/dbraw/zinc/93/02/66/563930266.db2.gz ZZCAEQQJBATUFJ-OAHLLOKOSA-N 0 0 323.362 4.084 50 0 DIAARN CC(C)(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCC1 ZINC000079495737 563930573 /nfs/dbraw/zinc/93/05/73/563930573.db2.gz GPCKOSMANNTUEF-GFCCVEGCSA-N 0 0 309.435 4.126 50 0 DIAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000390829882 563930696 /nfs/dbraw/zinc/93/06/96/563930696.db2.gz HGMRGRMZRNKITG-INIZCTEOSA-N 0 0 323.477 4.281 50 0 DIAARN Cc1ccc(OC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1C ZINC000095350019 563931133 /nfs/dbraw/zinc/93/11/33/563931133.db2.gz SNTFNOGSIFJDEK-KBXCAEBGSA-N 0 0 323.392 4.117 50 0 DIAARN Cc1ccc(OC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1C ZINC000095350022 563931135 /nfs/dbraw/zinc/93/11/35/563931135.db2.gz SNTFNOGSIFJDEK-KDOFPFPSSA-N 0 0 323.392 4.117 50 0 DIAARN CC(C)Cn1ccnc1CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000095423176 563931547 /nfs/dbraw/zinc/93/15/47/563931547.db2.gz DBGMRWJXRZIQSL-JSGCOSHPSA-N 0 0 321.515 4.316 50 0 DIAARN COC1(c2nc(C(C)(C)c3ccccc3)cs2)CCOCC1 ZINC000280827761 563931768 /nfs/dbraw/zinc/93/17/68/563931768.db2.gz SAEOYPIMBJPHQP-UHFFFAOYSA-N 0 0 317.454 4.121 50 0 DIAARN CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccccc2)C(=S)N1 ZINC000020642120 563931817 /nfs/dbraw/zinc/93/18/17/563931817.db2.gz AAQWSZAXMYHCEV-VQIMIIECSA-N 0 0 324.449 4.184 50 0 DIAARN CC(C)n1ccc(=O)nc1S[C@@H](C)c1ccccc1Cl ZINC000095948587 563932122 /nfs/dbraw/zinc/93/21/22/563932122.db2.gz CZMHAZJVQJGXJP-NSHDSACASA-N 0 0 308.834 4.331 50 0 DIAARN CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000095945228 563932174 /nfs/dbraw/zinc/93/21/74/563932174.db2.gz RMPWUAWGSDGYIB-HNNXBMFYSA-N 0 0 322.792 4.238 50 0 DIAARN O=C(c1coc2ccccc12)N(Cc1ccccc1)CC(F)F ZINC000095962169 563932535 /nfs/dbraw/zinc/93/25/35/563932535.db2.gz NQGDTRIPDIQWHT-UHFFFAOYSA-N 0 0 315.319 4.340 50 0 DIAARN C[C@H](Nc1ncc(Cl)cn1)c1ccccc1Br ZINC000095963387 563932638 /nfs/dbraw/zinc/93/26/38/563932638.db2.gz DVHCADFATQAYKA-QMMMGPOBSA-N 0 0 312.598 4.066 50 0 DIAARN CC(=O)N(C)c1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000095963257 563932754 /nfs/dbraw/zinc/93/27/54/563932754.db2.gz XMMDTPQZTUPANG-GFCCVEGCSA-N 0 0 315.417 4.128 50 0 DIAARN COC[C@H](N[C@H]1C[C@@H](C)Sc2ccccc21)c1ccco1 ZINC000095968845 563933155 /nfs/dbraw/zinc/93/31/55/563933155.db2.gz SYQUNUCFCQBUAN-SNPRPXQTSA-N 0 0 303.427 4.182 50 0 DIAARN CC1(C)CCC(N[C@@H](Cc2ccncc2)C(F)(F)F)CC1 ZINC000095968499 563933291 /nfs/dbraw/zinc/93/32/91/563933291.db2.gz XKIUDMVJMXZFNV-AWEZNQCLSA-N 0 0 300.368 4.113 50 0 DIAARN CSc1ccccc1N(C)C(=O)c1c(F)cc(F)cc1F ZINC000095971633 563933510 /nfs/dbraw/zinc/93/35/10/563933510.db2.gz LOCSSYRYYMSPMA-UHFFFAOYSA-N 0 0 311.328 4.102 50 0 DIAARN C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1cccs1 ZINC000095969109 563933520 /nfs/dbraw/zinc/93/35/20/563933520.db2.gz TWCIOFQSTHWYPY-OLZOCXBDSA-N 0 0 313.426 4.134 50 0 DIAARN COC1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000095975035 563933613 /nfs/dbraw/zinc/93/36/13/563933613.db2.gz SFEQGQWRQUKZNP-IDZDRKKHSA-N 0 0 307.478 4.009 50 0 DIAARN CC(C)c1nnc(CN[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000095985437 563934099 /nfs/dbraw/zinc/93/40/99/563934099.db2.gz PECXSDOJGKGCFH-SNVBAGLBSA-N 0 0 313.323 4.063 50 0 DIAARN CC(C)C[C@@H]1C[C@H](Nc2ncccc2C(F)(F)F)CCO1 ZINC000095990649 563934126 /nfs/dbraw/zinc/93/41/26/563934126.db2.gz TUGJGASTIVRGHQ-VXGBXAGGSA-N 0 0 302.340 4.106 50 0 DIAARN CC(C)CSC[C@H](C)Nc1cccc(Cn2cccn2)c1 ZINC000095990762 563934401 /nfs/dbraw/zinc/93/44/01/563934401.db2.gz CVZCPYAYBPUNKN-HNNXBMFYSA-N 0 0 303.475 4.121 50 0 DIAARN CC(C)CSC[C@@H](C)Nc1cccc(Cn2cccn2)c1 ZINC000095990761 563934514 /nfs/dbraw/zinc/93/45/14/563934514.db2.gz CVZCPYAYBPUNKN-OAHLLOKOSA-N 0 0 303.475 4.121 50 0 DIAARN O=C(CCCc1ccccn1)NC1(Cc2ccccc2)CCCC1 ZINC000096014039 563934845 /nfs/dbraw/zinc/93/48/45/563934845.db2.gz GSSZCLFJXRTWDG-UHFFFAOYSA-N 0 0 322.452 4.076 50 0 DIAARN CC1(C)CC(=O)Nc2ccc(NC(=O)CCC3CCCC3)cc21 ZINC000096182965 563935814 /nfs/dbraw/zinc/93/58/14/563935814.db2.gz OVLGTGDODBCKHK-UHFFFAOYSA-N 0 0 314.429 4.215 50 0 DIAARN O=C(/C=C\c1ccccn1)Nc1cccc(OC2CCCC2)c1 ZINC000096179377 563935851 /nfs/dbraw/zinc/93/58/51/563935851.db2.gz BRCBBNBGDPFXKY-QXMHVHEDSA-N 0 0 308.381 4.055 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1C ZINC000096182970 563935872 /nfs/dbraw/zinc/93/58/72/563935872.db2.gz ZZERYEPBEFALJL-UHFFFAOYSA-N 0 0 322.408 4.176 50 0 DIAARN CC[C@@H](C)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000007969378 563936173 /nfs/dbraw/zinc/93/61/73/563936173.db2.gz YITIZNZCPDTEMD-BEFAXECRSA-N 0 0 311.425 4.141 50 0 DIAARN Cc1cc(C)cc(-c2ncnc(Oc3cccc(F)c3)c2N)c1 ZINC000096282140 563936219 /nfs/dbraw/zinc/93/62/19/563936219.db2.gz DDFZOFNEDBYJNS-UHFFFAOYSA-N 0 0 309.344 4.274 50 0 DIAARN Cc1csc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000007968945 563936345 /nfs/dbraw/zinc/93/63/45/563936345.db2.gz KOXXJBZZVATNHN-ZDUSSCGKSA-N 0 0 308.834 4.483 50 0 DIAARN CCc1ccc([C@H]2CCCN2C(=O)CCc2ccsc2)o1 ZINC000096409939 563936911 /nfs/dbraw/zinc/93/69/11/563936911.db2.gz WABQQSIPNJRYKL-OAHLLOKOSA-N 0 0 303.427 4.200 50 0 DIAARN C[C@@H]1CCC[C@H](n2c(=O)c3cc(Cl)ccc3[n-]c2=S)[C@H]1C ZINC000334158858 563937607 /nfs/dbraw/zinc/93/76/07/563937607.db2.gz UZAJGLDQDXMKTL-BFVZDQMLSA-N 0 0 322.861 4.336 50 0 DIAARN C[C@@H]1CCC[C@@H](n2c(=O)c3cc(Cl)ccc3[n-]c2=S)[C@H]1C ZINC000334158859 563937635 /nfs/dbraw/zinc/93/76/35/563937635.db2.gz UZAJGLDQDXMKTL-ISTVAULSSA-N 0 0 322.861 4.336 50 0 DIAARN O=C(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000097165275 563937914 /nfs/dbraw/zinc/93/79/14/563937914.db2.gz PBGSLYTYVRUBRQ-GOSISDBHSA-N 0 0 316.360 4.271 50 0 DIAARN CCc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)cc1 ZINC000002471877 563937976 /nfs/dbraw/zinc/93/79/76/563937976.db2.gz TTYGMDAQUSLJMP-RBUKOAKNSA-N 0 0 318.424 4.295 50 0 DIAARN Cc1cccc(-c2noc(CNc3ccccc3OC(C)C)n2)c1 ZINC000055843465 563939237 /nfs/dbraw/zinc/93/92/37/563939237.db2.gz KWBDJRMHZDDFIH-UHFFFAOYSA-N 0 0 323.396 4.444 50 0 DIAARN O=C(Nc1cccc(Cl)c1)OCn1cnc(Cl)c1Cl ZINC000002577555 563939376 /nfs/dbraw/zinc/93/93/76/563939376.db2.gz PHIRIKSXQTZDMP-UHFFFAOYSA-N 0 0 320.563 4.050 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1F ZINC000002624456 563939522 /nfs/dbraw/zinc/93/95/22/563939522.db2.gz GAQTVNNYWFXGEH-UHFFFAOYSA-N 0 0 301.361 4.384 50 0 DIAARN Oc1ccc(Nc2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000002633443 563939899 /nfs/dbraw/zinc/93/98/99/563939899.db2.gz FUGZCSZGQXMFPD-UHFFFAOYSA-N 0 0 320.396 4.069 50 0 DIAARN Cc1cnc(NC(=O)c2ccc(OCCC(C)C)cc2)s1 ZINC000002639349 563939926 /nfs/dbraw/zinc/93/99/26/563939926.db2.gz DJWUQODBZRQNCA-UHFFFAOYSA-N 0 0 304.415 4.129 50 0 DIAARN COc1cccc(CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000002644945 563940032 /nfs/dbraw/zinc/94/00/32/563940032.db2.gz QZQDOMSMRUVJJH-UHFFFAOYSA-N 0 0 323.364 4.191 50 0 DIAARN CC(C)(C)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000002725727 563940338 /nfs/dbraw/zinc/94/03/38/563940338.db2.gz MATWDAHCOJJYMS-UHFFFAOYSA-N 0 0 318.486 4.451 50 0 DIAARN CCC(=O)NCCSc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002721150 563940377 /nfs/dbraw/zinc/94/03/77/563940377.db2.gz VIBSFOJCLNQPID-UHFFFAOYSA-N 0 0 324.449 4.453 50 0 DIAARN O=C(/C=C/c1ccccc1)NCCSc1c[nH]c2ccccc12 ZINC000002720995 563940429 /nfs/dbraw/zinc/94/04/29/563940429.db2.gz MPUJGTLZDBDZCW-ZHACJKMWSA-N 0 0 322.433 4.090 50 0 biogenic DIAARN Cc1sc2ncn3nc([C@@H]4C[C@@H]4c4ccccc4)nc3c2c1C ZINC000002808690 563940963 /nfs/dbraw/zinc/94/09/63/563940963.db2.gz BXGFPNXNEPLFSP-ZIAGYGMSSA-N 0 0 320.421 4.227 50 0 DIAARN Cc1nc2c3ccccc3nc(SCc3ccccc3F)n2n1 ZINC000002968894 563941480 /nfs/dbraw/zinc/94/14/80/563941480.db2.gz UKAFVFNTTFDDJH-UHFFFAOYSA-N 0 0 324.384 4.017 50 0 DIAARN Cc1nc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c(C)s1 ZINC000230185011 563941972 /nfs/dbraw/zinc/94/19/72/563941972.db2.gz IFDZAFZWQJJIGA-XHBSWPGZSA-N 0 0 314.454 4.167 50 0 DIAARN COc1ccccc1COC(=O)N/C=C/c1ccc(Cl)cc1 ZINC000003105688 563942047 /nfs/dbraw/zinc/94/20/47/563942047.db2.gz VAIICKUOWUJZMJ-ZHACJKMWSA-N 0 0 317.772 4.246 50 0 DIAARN COc1ccc(CC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000003093906 563942166 /nfs/dbraw/zinc/94/21/66/563942166.db2.gz VQHUWZLOHCMNOG-UHFFFAOYSA-N 0 0 321.376 4.038 50 0 DIAARN Clc1ccccc1SCCCSc1nncs1 ZINC000057744743 563942424 /nfs/dbraw/zinc/94/24/24/563942424.db2.gz YBPDWRBBAMPGIQ-UHFFFAOYSA-N 0 0 302.877 4.466 50 0 DIAARN c1sc(-c2ccccc2)nc1CSc1nnc2ccccn21 ZINC000003182887 563942659 /nfs/dbraw/zinc/94/26/59/563942659.db2.gz KMHIJJGNNLQJQD-UHFFFAOYSA-N 0 0 324.434 4.145 50 0 DIAARN FC(F)(F)Oc1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000003231846 563942946 /nfs/dbraw/zinc/94/29/46/563942946.db2.gz XZMWFOJYOKAUFT-UHFFFAOYSA-N 0 0 318.364 4.204 50 0 DIAARN O=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCCC1 ZINC000003262092 563943326 /nfs/dbraw/zinc/94/33/26/563943326.db2.gz JPIKAGRWLZYIBW-UHFFFAOYSA-N 0 0 324.833 4.022 50 0 DIAARN c1ccc2c(c1)CCCN2c1ncnc2sc3c(c21)CCC3 ZINC000003261430 563943329 /nfs/dbraw/zinc/94/33/29/563943329.db2.gz BOSLXDXQRJVAES-UHFFFAOYSA-N 0 0 307.422 4.264 50 0 DIAARN Brc1cccc(Oc2ncnc3sccc32)c1 ZINC000003260978 563943375 /nfs/dbraw/zinc/94/33/75/563943375.db2.gz KMHUMANCMQMBKG-UHFFFAOYSA-N 0 0 307.172 4.246 50 0 DIAARN Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 ZINC000031092096 563944228 /nfs/dbraw/zinc/94/42/28/563944228.db2.gz HQTOSEKNBLLXJM-UHFFFAOYSA-N 0 0 310.784 4.378 50 0 DIAARN Cc1cccc(OCC(=O)Nc2ccc(C)c3ncccc23)c1C ZINC000031093922 563944243 /nfs/dbraw/zinc/94/42/43/563944243.db2.gz NNZAZZRWZVKBPX-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN CC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000228676764 563944313 /nfs/dbraw/zinc/94/43/13/563944313.db2.gz GSILBSANXVWBMR-CEIYQTNSSA-N 0 0 310.353 4.016 50 0 DIAARN O=C(C1CC=CC1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000163715533 563944370 /nfs/dbraw/zinc/94/43/70/563944370.db2.gz ZKFVZKMXCTWMIV-UHFFFAOYSA-N 0 0 318.420 4.206 50 0 DIAARN Cc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000031455966 563944537 /nfs/dbraw/zinc/94/45/37/563944537.db2.gz AGKDHOGAGCGBLM-UHFFFAOYSA-N 0 0 318.376 4.221 50 0 DIAARN COc1ccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 ZINC000031662796 563944552 /nfs/dbraw/zinc/94/45/52/563944552.db2.gz MUTVPGKSBQXISU-NSHDSACASA-N 0 0 304.415 4.256 50 0 DIAARN Cc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)o1 ZINC000003999947 563944772 /nfs/dbraw/zinc/94/47/72/563944772.db2.gz KSIOCLDAHJHVIW-XETPZZHUSA-N 0 0 322.408 4.456 50 0 biogenic DIAARN CC(C)COCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000031734599 563944781 /nfs/dbraw/zinc/94/47/81/563944781.db2.gz OLYOJCCLMCUUKH-UHFFFAOYSA-N 0 0 313.397 4.480 50 0 DIAARN O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc2cc[nH]c2c1 ZINC000032124228 563945304 /nfs/dbraw/zinc/94/53/04/563945304.db2.gz JFWFIXJDKDJDLQ-UHFFFAOYSA-N 0 0 323.783 4.415 50 0 biogenic DIAARN c1ccc(-c2nnc(CN3CCCSc4ccccc43)o2)cc1 ZINC000032511255 563945665 /nfs/dbraw/zinc/94/56/65/563945665.db2.gz GQXKPLMTKSPZRF-UHFFFAOYSA-N 0 0 323.421 4.239 50 0 DIAARN Cc1ccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)o1 ZINC000007975137 563945819 /nfs/dbraw/zinc/94/58/19/563945819.db2.gz XGYIYUNTMLLMLN-AWEZNQCLSA-N 0 0 310.397 4.081 50 0 DIAARN Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](C)c1ccccn1 ZINC000007979415 563945978 /nfs/dbraw/zinc/94/59/78/563945978.db2.gz KQTSHHSHZRTXII-LLVKDONJSA-N 0 0 314.772 4.281 50 0 DIAARN CCCCCCNC(=O)c1sc(-c2ccccc2)nc1C ZINC000007995881 563946131 /nfs/dbraw/zinc/94/61/31/563946131.db2.gz AEAGKFJKVJLNEL-UHFFFAOYSA-N 0 0 302.443 4.429 50 0 DIAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCc1ccccc1 ZINC000007995995 563946185 /nfs/dbraw/zinc/94/61/85/563946185.db2.gz RLBHJNXBYBMQRK-UHFFFAOYSA-N 0 0 322.433 4.091 50 0 DIAARN CSc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000008039876 563946249 /nfs/dbraw/zinc/94/62/49/563946249.db2.gz CRPLHZXYSQSQFH-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN Cc1ccccc1-c1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000263449231 563946318 /nfs/dbraw/zinc/94/63/18/563946318.db2.gz ZANQSRUICGYQOR-LJQANCHMSA-N 0 0 309.409 4.101 50 0 DIAARN COc1ccc(-c2ccc3cnn(Cc4cccs4)c3n2)cc1 ZINC000008037883 563946320 /nfs/dbraw/zinc/94/63/20/563946320.db2.gz QKDSZRNLNRSPHJ-UHFFFAOYSA-N 0 0 321.405 4.217 50 0 DIAARN CCc1ccc(-c2cn3nc(-c4ccccc4)cnc3n2)cc1 ZINC000038151028 563946536 /nfs/dbraw/zinc/94/65/36/563946536.db2.gz KDDRHXQVNUBFHT-UHFFFAOYSA-N 0 0 300.365 4.021 50 0 DIAARN CCc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000008075886 563946656 /nfs/dbraw/zinc/94/66/56/563946656.db2.gz HALPNKYCQKJZFM-UHFFFAOYSA-N 0 0 319.408 4.304 50 0 DIAARN Cc1ccc(C)c(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000008180699 563946939 /nfs/dbraw/zinc/94/69/39/563946939.db2.gz PHJTUEWBAQARML-UHFFFAOYSA-N 0 0 310.422 4.484 50 0 DIAARN Cc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 ZINC000008208727 563947113 /nfs/dbraw/zinc/94/71/13/563947113.db2.gz KGIBZAFNIXUZDJ-UHFFFAOYSA-N 0 0 306.390 4.280 50 0 DIAARN CCc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000008238386 563947279 /nfs/dbraw/zinc/94/72/79/563947279.db2.gz FUSDMFVZOREPAM-AWEZNQCLSA-N 0 0 323.392 4.251 50 0 DIAARN O=C(CCc1ccsc1)Nc1ccc(Br)cc1 ZINC000008263009 563947360 /nfs/dbraw/zinc/94/73/60/563947360.db2.gz PLNCXQQYIPBWTL-UHFFFAOYSA-N 0 0 310.216 4.082 50 0 DIAARN C[C@H]1C[C@H](C)CN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000008232535 563947434 /nfs/dbraw/zinc/94/74/34/563947434.db2.gz GBJUIRCRZKYMLU-QWRGUYRKSA-N 0 0 309.335 4.131 50 0 DIAARN C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cc2ccccc2o1 ZINC000008238671 563947443 /nfs/dbraw/zinc/94/74/43/563947443.db2.gz FAQZURPEGXPLOY-LLVKDONJSA-N 0 0 311.406 4.474 50 0 DIAARN CN1C(=O)Cc2cc(-c3csc(-c4cccs4)n3)ccc21 ZINC000008297168 563947463 /nfs/dbraw/zinc/94/74/63/563947463.db2.gz WVSKKOTZORJDMZ-UHFFFAOYSA-N 0 0 312.419 4.058 50 0 DIAARN CN1C(=O)Cc2cc(-c3csc(-c4cccc(F)c4)n3)ccc21 ZINC000008296707 563947527 /nfs/dbraw/zinc/94/75/27/563947527.db2.gz XUMSORNLILACRK-UHFFFAOYSA-N 0 0 324.380 4.135 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000008345014 563948117 /nfs/dbraw/zinc/94/81/17/563948117.db2.gz BPNJVVYTHHVTMK-UHFFFAOYSA-N 0 0 301.198 4.319 50 0 DIAARN Cc1sc2nc(-c3cccs3)nc(-n3ccnc3)c2c1C ZINC000008339981 563948131 /nfs/dbraw/zinc/94/81/31/563948131.db2.gz URLNCBMIQJIQJJ-UHFFFAOYSA-N 0 0 312.423 4.222 50 0 DIAARN COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2ccccc2n1 ZINC000038486575 563948282 /nfs/dbraw/zinc/94/82/82/563948282.db2.gz HMLLACCVDYTIJA-UHFFFAOYSA-N 0 0 306.365 4.382 50 0 DIAARN c1ccc2c(c1)oc1c2ncnc1SC[C@@H]1CCCCO1 ZINC000008393360 563948508 /nfs/dbraw/zinc/94/85/08/563948508.db2.gz RFUKQVCJKCQWFN-NSHDSACASA-N 0 0 300.383 4.037 50 0 DIAARN Cc1ccc(OCCCc2nc(-c3ccccc3C)no2)cc1 ZINC000008428321 563948572 /nfs/dbraw/zinc/94/85/72/563948572.db2.gz JRSOTLPWZMRDFW-UHFFFAOYSA-N 0 0 308.381 4.365 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1cccc(Cl)c1Cl ZINC000008500188 563948745 /nfs/dbraw/zinc/94/87/45/563948745.db2.gz AIXXKEJZMDTGRD-UHFFFAOYSA-N 0 0 322.147 4.492 50 0 DIAARN CC(=O)Nc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008555332 563949001 /nfs/dbraw/zinc/94/90/01/563949001.db2.gz DEUCSBSWILZCGA-UHFFFAOYSA-N 0 0 311.381 4.162 50 0 DIAARN CC(C)CC(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000008560361 563949132 /nfs/dbraw/zinc/94/91/32/563949132.db2.gz OYYBNXMPRSDSIP-UHFFFAOYSA-N 0 0 321.380 4.388 50 0 DIAARN CC(C)CNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000008603556 563949301 /nfs/dbraw/zinc/94/93/01/563949301.db2.gz SNPHUVGHJDHMQJ-UHFFFAOYSA-N 0 0 302.765 4.006 50 0 DIAARN CSc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000008704543 563949688 /nfs/dbraw/zinc/94/96/88/563949688.db2.gz NESNUWZUYFLIOG-UHFFFAOYSA-N 0 0 308.406 4.452 50 0 DIAARN CC(C)C[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 ZINC000008719853 563950232 /nfs/dbraw/zinc/95/02/32/563950232.db2.gz DHIGGTSWPVKQCN-QGZVFWFLSA-N 0 0 322.412 4.472 50 0 DIAARN O=C(CN(Cc1ccc(F)cc1)C1CC1)c1c[nH]c2ccccc12 ZINC000008723483 563950247 /nfs/dbraw/zinc/95/02/47/563950247.db2.gz WXGXRANPHJZJSI-UHFFFAOYSA-N 0 0 322.383 4.154 50 0 DIAARN O=C(CCc1cccc(F)c1)N[C@H]1CCSc2ccccc21 ZINC000008769877 563950722 /nfs/dbraw/zinc/95/07/22/563950722.db2.gz DPQDYCNRXLUKPE-INIZCTEOSA-N 0 0 315.413 4.112 50 0 DIAARN Cc1ccc([S@](=O)/C(F)=C\COCc2ccccc2)cc1 ZINC000039175228 563950735 /nfs/dbraw/zinc/95/07/35/563950735.db2.gz YFGXJTYNLNXOEZ-DGJFXRHUSA-N 0 0 304.386 4.130 50 0 DIAARN O=C1Nc2ccccc2/C1=C/c1cscc1Br ZINC000008855251 563950889 /nfs/dbraw/zinc/95/08/89/563950889.db2.gz XSBZWHMATWICJZ-YHYXMXQVSA-N 0 0 306.184 4.003 50 0 DIAARN CCN(CC)c1c(=O)[nH]c2ccc(C)cc2c1-c1ccccc1 ZINC000008855121 563950915 /nfs/dbraw/zinc/95/09/15/563950915.db2.gz GXKHEWGQIZFJCT-UHFFFAOYSA-N 0 0 306.409 4.350 50 0 DIAARN Cc1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)o1 ZINC000008816274 563950943 /nfs/dbraw/zinc/95/09/43/563950943.db2.gz JLYZIFLOPVNDSO-UHFFFAOYSA-N 0 0 320.392 4.259 50 0 DIAARN c1cn(CCOc2ccccc2-c2cccc3[nH]ccc32)cn1 ZINC000067983523 563950965 /nfs/dbraw/zinc/95/09/65/563950965.db2.gz BOORNOZMZZTPTO-UHFFFAOYSA-N 0 0 303.365 4.110 50 0 DIAARN Cc1ccc2oc(C(=O)Nc3cc(Cl)ccc3C)cc2n1 ZINC000008798710 563951015 /nfs/dbraw/zinc/95/10/15/563951015.db2.gz LVRSKLYZLDMCRV-UHFFFAOYSA-N 0 0 300.745 4.350 50 0 DIAARN O=C(c1cccc(F)c1)N1CCSc2ccc(Cl)cc21 ZINC000040071171 563951333 /nfs/dbraw/zinc/95/13/33/563951333.db2.gz JFOUEGPOYJSSNI-UHFFFAOYSA-N 0 0 307.777 4.232 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1cc(=O)c2cc(C)ccc2o1 ZINC000008936880 563951429 /nfs/dbraw/zinc/95/14/29/563951429.db2.gz XVNAXDXJLYJYDR-UHFFFAOYSA-N 0 0 321.376 4.225 50 0 DIAARN O=C(NCc1ccccc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000008944029 563951464 /nfs/dbraw/zinc/95/14/64/563951464.db2.gz GTZDMQYOKRINRO-UHFFFAOYSA-N 0 0 311.381 4.484 50 0 DIAARN O=C1[C@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000040156579 563951625 /nfs/dbraw/zinc/95/16/25/563951625.db2.gz ZAJJPROABUPSOI-VQTJNVASSA-N 0 0 315.372 4.222 50 0 DIAARN O=C(Nc1ccccc1O)c1cccnc1SC1CCCC1 ZINC000040156616 563951642 /nfs/dbraw/zinc/95/16/42/563951642.db2.gz STTITGIZTSMLAO-UHFFFAOYSA-N 0 0 314.410 4.074 50 0 DIAARN CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1 ZINC000008972974 563951717 /nfs/dbraw/zinc/95/17/17/563951717.db2.gz UIXKXYGHZOJILO-UHFFFAOYSA-N 0 0 324.380 4.165 50 0 DIAARN Cc1cc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)on1 ZINC000244942698 563951846 /nfs/dbraw/zinc/95/18/46/563951846.db2.gz CVPUVCOEOOGJJG-UHFFFAOYSA-N 0 0 320.392 4.013 50 0 DIAARN CO[C@H](CNC(=O)Nc1ccccc1C)c1cc2ccccc2o1 ZINC000244975011 563951909 /nfs/dbraw/zinc/95/19/09/563951909.db2.gz HXHXUTJGTOLFPD-GOSISDBHSA-N 0 0 324.380 4.250 50 0 DIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)cc1F ZINC000245170854 563952052 /nfs/dbraw/zinc/95/20/52/563952052.db2.gz XJGAADNIMPDSSI-LLVKDONJSA-N 0 0 315.319 4.072 50 0 DIAARN O=C(Nc1ccccc1OCc1cscn1)c1cccs1 ZINC000069350609 563952309 /nfs/dbraw/zinc/95/23/09/563952309.db2.gz MEOLEMYVECOORP-UHFFFAOYSA-N 0 0 316.407 4.036 50 0 DIAARN CC(N=Nc1ccc(Cl)nn1)c1ccc(Cl)cc1Cl ZINC000245264319 563952377 /nfs/dbraw/zinc/95/23/77/563952377.db2.gz CSNCMHAOCAGPTM-UHFFFAOYSA-N 0 0 315.591 4.273 50 0 DIAARN CCSc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cn1 ZINC000069370169 563952536 /nfs/dbraw/zinc/95/25/36/563952536.db2.gz RZMIFHYHTFVQNB-HUUCEWRRSA-N 0 0 316.401 4.075 50 0 DIAARN C[C@@H](c1ccccc1F)N(Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000069484618 563952946 /nfs/dbraw/zinc/95/29/46/563952946.db2.gz AMNCFPZGWRTWFY-LBPRGKRZSA-N 0 0 317.408 4.232 50 0 DIAARN COc1cccc2cc(C(=O)Nc3ccccc3SC)oc21 ZINC000009133714 563953329 /nfs/dbraw/zinc/95/33/29/563953329.db2.gz KCPMDDVBWJRBEY-UHFFFAOYSA-N 0 0 313.378 4.416 50 0 DIAARN CC(C)CCC(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000069530275 563953422 /nfs/dbraw/zinc/95/34/22/563953422.db2.gz QGQXUMMTYDZWOL-LJQANCHMSA-N 0 0 314.404 4.205 50 0 DIAARN Clc1ccc2nc(SCc3nnc(C4CC4)o3)oc2c1 ZINC000069565591 563953510 /nfs/dbraw/zinc/95/35/10/563953510.db2.gz RGPRITKBYOKVRI-UHFFFAOYSA-N 0 0 307.762 4.034 50 0 DIAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3c(C)cccc3C)oc2c1 ZINC000009194368 563953932 /nfs/dbraw/zinc/95/39/32/563953932.db2.gz ZVZDLIRKEGQTKD-UHFFFAOYSA-N 0 0 321.376 4.279 50 0 DIAARN CCn1cc(C=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21 ZINC000009185210 563953951 /nfs/dbraw/zinc/95/39/51/563953951.db2.gz SCXVMHLKMPTNFY-VAWYXSNFSA-N 0 0 315.376 4.068 50 0 DIAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(Cl)cc3)oc2c1 ZINC000009194308 563954018 /nfs/dbraw/zinc/95/40/18/563954018.db2.gz STASXSMJFGBRTB-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN Cc1oc(-c2ccco2)nc1CNC1(c2ccccc2)CCC1 ZINC000069736877 563954304 /nfs/dbraw/zinc/95/43/04/563954304.db2.gz HHGMEZBNOHIZQH-UHFFFAOYSA-N 0 0 308.381 4.412 50 0 DIAARN O=[S@](Cc1csc(C2CCCC2)n1)Cc1cccc(F)c1 ZINC000069743429 563954622 /nfs/dbraw/zinc/95/46/22/563954622.db2.gz PKNWAKCTRSVHHZ-OAQYLSRUSA-N 0 0 323.458 4.389 50 0 DIAARN O=C(Nc1scnc1-c1ccc(F)cc1)c1ccccc1F ZINC000069813057 563954788 /nfs/dbraw/zinc/95/47/88/563954788.db2.gz ZTHSEBHCEJSKKO-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000009316500 563954974 /nfs/dbraw/zinc/95/49/74/563954974.db2.gz LROSFVVCGSQPCN-UHFFFAOYSA-N 0 0 318.376 4.044 50 0 DIAARN Cc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3O)oc2c(C)c1 ZINC000009341408 563955393 /nfs/dbraw/zinc/95/53/93/563955393.db2.gz CDTGZGNXXFIDJU-UHFFFAOYSA-N 0 0 324.380 4.412 50 0 DIAARN CCn1nc(NC(=O)C2CCCCC2)c2cc3ccccc3nc21 ZINC000009361341 563955424 /nfs/dbraw/zinc/95/54/24/563955424.db2.gz KLZWDELKQQKWSK-UHFFFAOYSA-N 0 0 322.412 4.123 50 0 DIAARN Cc1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1C ZINC000009376466 563955558 /nfs/dbraw/zinc/95/55/58/563955558.db2.gz RZTCATAEXLOZLH-UHFFFAOYSA-N 0 0 321.424 4.470 50 0 DIAARN Cc1cnc(NC(=O)c2cc(C3CC3)nc3ccccc32)s1 ZINC000009377041 563955661 /nfs/dbraw/zinc/95/56/61/563955661.db2.gz SBVXJRJTQZZLSS-UHFFFAOYSA-N 0 0 309.394 4.129 50 0 DIAARN c1ccc(CNc2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000041148749 563955789 /nfs/dbraw/zinc/95/57/89/563955789.db2.gz LGRLLFJNGXKRJW-UHFFFAOYSA-N 0 0 318.424 4.232 50 0 DIAARN O=C(c1cc(-c2ccccc2)on1)N1CCSc2ccccc21 ZINC000041155137 563955814 /nfs/dbraw/zinc/95/58/14/563955814.db2.gz VMFYHUHRTOWFCM-UHFFFAOYSA-N 0 0 322.389 4.094 50 0 DIAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1 ZINC000009390039 563955833 /nfs/dbraw/zinc/95/58/33/563955833.db2.gz FLPPBZHBECIYMM-UHFFFAOYSA-N 0 0 300.408 4.053 50 0 DIAARN C[C@H]1CCCN(c2nc3ccccc3c(NC3CCCC3)n2)C1 ZINC000041152231 563955852 /nfs/dbraw/zinc/95/58/52/563955852.db2.gz AUTDPMOLZJNOKP-AWEZNQCLSA-N 0 0 310.445 4.221 50 0 DIAARN COc1cc(-c2cc(=O)c3cc(Cl)cc(C)c3o2)ccc1O ZINC000041181952 563955857 /nfs/dbraw/zinc/95/58/57/563955857.db2.gz VSSBVVMPFCZCEQ-UHFFFAOYSA-N 0 0 316.740 4.136 50 0 DIAARN CSCc1c2ccccc2oc1C(=O)N1CCC(C)CC1 ZINC000009449386 563955944 /nfs/dbraw/zinc/95/59/44/563955944.db2.gz ZFKYRBAVHIMTAX-UHFFFAOYSA-N 0 0 303.427 4.168 50 0 DIAARN Cc1ccc(C2N=NC(=S)N2c2cccc3ncccc32)cc1 ZINC000009422390 563956035 /nfs/dbraw/zinc/95/60/35/563956035.db2.gz GCEDHHKIDYPDTN-UHFFFAOYSA-N 0 0 318.405 4.080 50 0 DIAARN COc1ccccc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000009502644 563956380 /nfs/dbraw/zinc/95/63/80/563956380.db2.gz AJSFHPUVFWQVQR-UHFFFAOYSA-N 0 0 309.365 4.239 50 0 DIAARN COc1ccccc1-c1nc(CN(C)c2ccccc2)cs1 ZINC000009513297 563956435 /nfs/dbraw/zinc/95/64/35/563956435.db2.gz WKZCUOKAPOQDIU-UHFFFAOYSA-N 0 0 310.422 4.455 50 0 DIAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1ccc(C)cc1C ZINC000009528163 563956630 /nfs/dbraw/zinc/95/66/30/563956630.db2.gz FAQFOOMQJDQHBW-SFHVURJKSA-N 0 0 311.429 4.494 50 0 DIAARN CCc1ccccc1NC(=O)c1ncoc1-c1cccc(C)c1 ZINC000009527341 563956660 /nfs/dbraw/zinc/95/66/60/563956660.db2.gz KQDVYNAYZMAHRU-UHFFFAOYSA-N 0 0 306.365 4.465 50 0 DIAARN COc1ccc(-c2ocnc2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000009527245 563956680 /nfs/dbraw/zinc/95/66/80/563956680.db2.gz AZNIZYFKOIVNHU-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c1C ZINC000009528260 563956805 /nfs/dbraw/zinc/95/68/05/563956805.db2.gz NCDNAONGGLVRKI-SFHVURJKSA-N 0 0 311.429 4.350 50 0 DIAARN CCOc1ccc2ccccc2c1C(=O)NCc1cc(C)oc1C ZINC000070640396 563956890 /nfs/dbraw/zinc/95/68/90/563956890.db2.gz NVVOXZQVUVFXIL-UHFFFAOYSA-N 0 0 323.392 4.378 50 0 DIAARN Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1C1CC1 ZINC000009591810 563956983 /nfs/dbraw/zinc/95/69/83/563956983.db2.gz VOWVLYOQMFZFRW-AWEZNQCLSA-N 0 0 317.458 4.154 50 0 DIAARN Cc1ccc(CNC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000009577436 563957038 /nfs/dbraw/zinc/95/70/38/563957038.db2.gz CVLZUNDMPSAWDB-CYBMUJFWSA-N 0 0 302.805 4.209 50 0 DIAARN Cc1cccc2c1ccn2CC(=O)Nc1cccc2[nH]ccc21 ZINC000070666602 563957154 /nfs/dbraw/zinc/95/71/54/563957154.db2.gz ISMMPQRFMVDJAM-UHFFFAOYSA-N 0 0 303.365 4.070 50 0 biogenic DIAARN Cc1ccc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1C ZINC000009728275 563957421 /nfs/dbraw/zinc/95/74/21/563957421.db2.gz QVJLDAOFIQTCIA-UHFFFAOYSA-N 0 0 317.392 4.044 50 0 DIAARN Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000009710988 563957606 /nfs/dbraw/zinc/95/76/06/563957606.db2.gz BKLYWCDVJVWWPE-AWEZNQCLSA-N 0 0 300.377 4.037 50 0 DIAARN CC[C@]1(C)Cc2ccccc2-c2nc(SC(C)C)[nH]c(=O)c21 ZINC000009692020 563957609 /nfs/dbraw/zinc/95/76/09/563957609.db2.gz RYDFVMMMYFSBEA-GOSISDBHSA-N 0 0 314.454 4.161 50 0 DIAARN O=C(N[C@H](c1ccccc1)C1CC1)N[C@@H]1CCc2ccccc21 ZINC000009878376 563957729 /nfs/dbraw/zinc/95/77/29/563957729.db2.gz UIOPHCNALRIZJM-RTBURBONSA-N 0 0 306.409 4.124 50 0 DIAARN COc1ccccc1CSCC(=O)Nc1ccc(Cl)cc1 ZINC000009752462 563957771 /nfs/dbraw/zinc/95/77/71/563957771.db2.gz PJDSTZWAFSGWET-UHFFFAOYSA-N 0 0 321.829 4.221 50 0 DIAARN COc1cccc([C@H]2SCC(=O)Nc3ccsc32)c1OC ZINC000071279382 563957958 /nfs/dbraw/zinc/95/79/58/563957958.db2.gz IYDNEGPDBDVFFQ-CQSZACIVSA-N 0 0 321.423 4.190 50 0 DIAARN COCCOc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000010155131 563958097 /nfs/dbraw/zinc/95/80/97/563958097.db2.gz QFWMUZISOOZKPR-UHFFFAOYSA-N 0 0 320.776 4.009 50 0 DIAARN O=C(c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000010109570 563958112 /nfs/dbraw/zinc/95/81/12/563958112.db2.gz RMVYABOPEYEPKE-HNNXBMFYSA-N 0 0 308.406 4.274 50 0 DIAARN O=C(NCc1ccccc1Cl)Nc1nc2ccccc2s1 ZINC000010037273 563958214 /nfs/dbraw/zinc/95/82/14/563958214.db2.gz LLRLIYPVAGVELG-UHFFFAOYSA-N 0 0 317.801 4.271 50 0 DIAARN COc1cc(C)c(NC(=O)c2cc3ccccc3o2)cc1OC ZINC000010276053 563958285 /nfs/dbraw/zinc/95/82/85/563958285.db2.gz COSDCZBJCKMHJY-UHFFFAOYSA-N 0 0 311.337 4.011 50 0 DIAARN COc1cccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2)c1 ZINC000010166009 563958288 /nfs/dbraw/zinc/95/82/88/563958288.db2.gz ZIKWFNOZVUYDDT-UHFFFAOYSA-N 0 0 323.396 4.234 50 0 DIAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccno1 ZINC000010253871 563958388 /nfs/dbraw/zinc/95/83/88/563958388.db2.gz CDYWZNVXXOIJOT-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN O=C(NOCc1ccccc1)c1ccccc1Nc1ccccc1 ZINC000010318826 563958450 /nfs/dbraw/zinc/95/84/50/563958450.db2.gz VFMSPHMFPMZQQI-UHFFFAOYSA-N 0 0 318.376 4.292 50 0 DIAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)nc1 ZINC000071844285 563959194 /nfs/dbraw/zinc/95/91/94/563959194.db2.gz PESRCGYUOCIALE-RBUKOAKNSA-N 0 0 308.425 4.188 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1C ZINC000071837353 563959245 /nfs/dbraw/zinc/95/92/45/563959245.db2.gz UERKSSQVRWAKMP-JENIJYKNSA-N 0 0 308.425 4.099 50 0 DIAARN Cc1ccc(-c2nc(CC(=O)OC[C@@H]3CC=CCC3)cs2)o1 ZINC000071878256 563959404 /nfs/dbraw/zinc/95/94/04/563959404.db2.gz BXVMKOVAZKUQFE-CYBMUJFWSA-N 0 0 317.410 4.154 50 0 DIAARN Cc1cccc(-c2noc(CCc3nc4ccccc4o3)n2)c1F ZINC000485970642 563959520 /nfs/dbraw/zinc/95/95/20/563959520.db2.gz OAGIRKHZWUINRO-UHFFFAOYSA-N 0 0 323.327 4.111 50 0 DIAARN FC(F)Oc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000078505554 563960891 /nfs/dbraw/zinc/96/08/91/563960891.db2.gz LSCBSLAWPBJKHN-UHFFFAOYSA-N 0 0 304.321 4.474 50 0 DIAARN Cc1nc(CS[C@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000078555827 563961171 /nfs/dbraw/zinc/96/11/71/563961171.db2.gz NIRVSTYVWVYNGD-SNVBAGLBSA-N 0 0 324.446 4.159 50 0 DIAARN CCc1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)cc1 ZINC000020597589 563961638 /nfs/dbraw/zinc/96/16/38/563961638.db2.gz NXXJMOJLNAXDSM-QGZVFWFLSA-N 0 0 321.424 4.270 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2cc(-c3ccccc3)no2)cc1 ZINC000013624995 568412521 /nfs/dbraw/zinc/41/25/21/568412521.db2.gz XAFIJQVIHVKKDR-FMIVXFBMSA-N 0 0 320.348 4.002 50 0 DIAARN Cc1c(C)n(-c2ccccc2)c2ncnc(N3CCC(C)CC3)c12 ZINC000032960416 568412904 /nfs/dbraw/zinc/41/29/04/568412904.db2.gz LVBWHPTXKXENRN-UHFFFAOYSA-N 0 0 320.440 4.274 50 0 DIAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1csc(C2CC2)n1 ZINC000252477656 568413756 /nfs/dbraw/zinc/41/37/56/568413756.db2.gz SEHDJQKHEMKGQD-CQDKDKBSSA-N 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314.404 4.074 50 0 DIAARN CCCc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 ZINC000007452433 568419601 /nfs/dbraw/zinc/41/96/01/568419601.db2.gz BPIHUTWHHPLNLN-UHFFFAOYSA-N 0 0 318.380 4.087 50 0 DIAARN Cc1nnc(-c2cc3ccccc3n2Cc2ccccc2F)o1 ZINC000007451561 568419684 /nfs/dbraw/zinc/41/96/84/568419684.db2.gz JPQAAAAPOUCDGU-UHFFFAOYSA-N 0 0 307.328 4.187 50 0 DIAARN CC[C@@H]1CCCCCN1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000170635695 568420435 /nfs/dbraw/zinc/42/04/35/568420435.db2.gz ANPREKXQZULBIR-BBWFWOEESA-N 0 0 324.509 4.192 50 0 DIAARN O=C(/C=C/c1ccccn1)Nc1cccc(OC2CCCC2)c1 ZINC000055178923 568421952 /nfs/dbraw/zinc/42/19/52/568421952.db2.gz BRCBBNBGDPFXKY-VAWYXSNFSA-N 0 0 308.381 4.055 50 0 DIAARN N#CSc1nc2ccccc2cc1C=NNc1ccccc1 ZINC000254836793 1035732730 /nfs/dbraw/zinc/73/27/30/1035732730.db2.gz SVLZZILGJTWZBL-UHFFFAOYSA-N 0 0 304.378 4.254 50 0 DIAARN C[C@H](c1cccc(O)c1)N(C)Cc1csc(-c2ccoc2)n1 ZINC000109783079 1036221715 /nfs/dbraw/zinc/22/17/15/1036221715.db2.gz ATSUHOALPDICNH-GFCCVEGCSA-N 0 0 314.410 4.302 50 0 DIAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CO1 ZINC000049034785 1036267743 /nfs/dbraw/zinc/26/77/43/1036267743.db2.gz LKDLANDMNIFZOI-IJMQKCTASA-N 0 0 302.458 4.079 50 0 DIAARN Cc1cc(CN(C)C(=O)c2sc3ccccc3c2Cl)no1 ZINC000025137121 1036271056 /nfs/dbraw/zinc/27/10/56/1036271056.db2.gz KFOGSTXZBIUPLQ-UHFFFAOYSA-N 0 0 320.801 4.123 50 0 DIAARN CC(C)[C@@H]1CCO[C@@H]1c1nc(-c2ccc3ncccc3c2)no1 ZINC000289123229 1036630678 /nfs/dbraw/zinc/63/06/78/1036630678.db2.gz MPMOXTXCFWKMPW-HOCLYGCPSA-N 0 0 309.369 4.018 50 0 DIAARN c1ccc(CNc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000005903 1036860368 /nfs/dbraw/zinc/86/03/68/1036860368.db2.gz AELMNLIYFALJIR-UHFFFAOYSA-N 0 0 312.376 4.304 50 0 in-vivo DIAARN CCCC(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C ZINC000033020573 1036931187 /nfs/dbraw/zinc/93/11/87/1036931187.db2.gz SZUZDDRCCLJFLS-UHFFFAOYSA-N 0 0 321.424 4.097 50 0 DIAARN Cc1cc(C)c(OCC(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000011211426 1037508765 /nfs/dbraw/zinc/50/87/65/1037508765.db2.gz BHIWYXUTDOCBDQ-HXUWFJFHSA-N 0 0 323.436 4.258 50 0 DIAARN COc1ccccc1O[C@H](c1ccccc1)P(=O)(OC)OC ZINC000002479029 1037537939 /nfs/dbraw/zinc/53/79/39/1037537939.db2.gz HWTLJEKFXVKYDV-INIZCTEOSA-N 0 0 322.297 4.259 50 0 DIAARN Cc1ncsc1C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000097086103 1037786915 /nfs/dbraw/zinc/78/69/15/1037786915.db2.gz VBLJOHMWAWLWQZ-UHFFFAOYSA-N 0 0 315.423 4.136 50 0 DIAARN Cc1nnc([C@@H](C)Nc2ccc(-c3cccc(F)c3)c(F)c2)o1 ZINC000097085793 1037787074 /nfs/dbraw/zinc/78/70/74/1037787074.db2.gz UOZXDGKXZRHLMC-SNVBAGLBSA-N 0 0 315.323 4.496 50 0 DIAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1 ZINC000008042399 1038106210 /nfs/dbraw/zinc/10/62/10/1038106210.db2.gz XDRHOVAMFXBDJM-UHFFFAOYSA-N 0 0 308.406 4.295 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1-n1cccc1 ZINC000011329629 1038111091 /nfs/dbraw/zinc/11/10/91/1038111091.db2.gz QRGZWDVJQMLXLD-UHFFFAOYSA-N 0 0 312.319 4.316 50 0 DIAARN CCc1c[nH]nc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000079022869 1038156865 /nfs/dbraw/zinc/15/68/65/1038156865.db2.gz WWDSZQRVAWRFNI-UHFFFAOYSA-N 0 0 323.183 4.013 50 0 DIAARN O=C(Nc1ccc2ncsc2c1)N1CCC[C@@H]1C1CCC1 ZINC000171076699 1038318732 /nfs/dbraw/zinc/31/87/32/1038318732.db2.gz ZAOXHULXIWRMLE-CQSZACIVSA-N 0 0 301.415 4.093 50 0 DIAARN O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCCc2ccccc21 ZINC000194228817 1038412563 /nfs/dbraw/zinc/41/25/63/1038412563.db2.gz WQVBJJMQGJTZGA-QGZVFWFLSA-N 0 0 305.381 4.367 50 0 DIAARN CC[C@H]1CCCN(C(=O)Nc2ccc3sncc3c2)CC1 ZINC000194251901 1038473076 /nfs/dbraw/zinc/47/30/76/1038473076.db2.gz CABYABHNNHSTNE-LBPRGKRZSA-N 0 0 303.431 4.340 50 0 DIAARN CO[C@H](C)c1cccc(NC(=O)N2CCCC3(CC3)CC2)c1 ZINC000626354420 1038644169 /nfs/dbraw/zinc/64/41/69/1038644169.db2.gz MMPZKXYBJXJUJU-CQSZACIVSA-N 0 0 302.418 4.192 50 0 DIAARN CCCCSC[C@H](COC(C)C)OC(=O)c1ccccc1 ZINC000002978109 1038964172 /nfs/dbraw/zinc/96/41/72/1038964172.db2.gz UXBNYTZFCQNNEL-INIZCTEOSA-N 0 0 310.459 4.170 50 0 DIAARN CC(=O)c1ccc(F)cc1-c1ccc(-c2csc(N)n2)cc1 ZINC000032565298 1039534297 /nfs/dbraw/zinc/53/42/97/1039534297.db2.gz JWQBNGSNFIOWBD-UHFFFAOYSA-N 0 0 312.369 4.401 50 0 DIAARN Oc1cccc(C=NN(Cc2ccccc2)c2ccccc2)c1 ZINC000254554850 1039956436 /nfs/dbraw/zinc/95/64/36/1039956436.db2.gz GAKKRBBXFRSTSG-UHFFFAOYSA-N 0 0 302.377 4.433 50 0 DIAARN Cc1nc2ccccc2nc1NCc1ccccc1OCC1CC1 ZINC000170635488 1039980004 /nfs/dbraw/zinc/98/00/04/1039980004.db2.gz WXBFKTLSXMGUAG-UHFFFAOYSA-N 0 0 319.408 4.339 50 0 DIAARN CC(C)CC(N=Nc1nncc2ccccc21)c1ccccc1 ZINC000254579626 1039990918 /nfs/dbraw/zinc/99/09/18/1039990918.db2.gz YGLGDLXHFHTKOO-UHFFFAOYSA-N 0 0 304.397 4.492 50 0 DIAARN Cc1noc2ccc(-c3nc4c(C)[nH]n(C5CCCC5)c-4n3)cc12 ZINC000102415683 1040258937 /nfs/dbraw/zinc/25/89/37/1040258937.db2.gz TYGGJAMQQKCJRM-UHFFFAOYSA-N 0 0 321.384 4.300 50 0 DIAARN Cc1nnc(-c2ccccc2-c2cccc(-c3cc[nH]n3)c2)o1 ZINC000102584767 1040448296 /nfs/dbraw/zinc/44/82/96/1040448296.db2.gz HHXSFFYMZRJFJW-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN 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CCC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2CC)cc1C ZINC000095459124 185370493 /nfs/dbraw/zinc/37/04/93/185370493.db2.gz IQBAJFGSGWHSJZ-ZFWWWQNUSA-N 0 0 317.433 4.138 50 0 DIAARN Cc1ccc(Cl)c2ccc(NC[C@@H](C)Cn3ccnc3)nc12 ZINC000095460609 185370644 /nfs/dbraw/zinc/37/06/44/185370644.db2.gz VRHZMLQXQAESEN-GFCCVEGCSA-N 0 0 314.820 4.141 50 0 DIAARN CCC[C@]1(C(F)(F)F)CCCN1Cc1ccc(OC)c(O)c1 ZINC000097032758 185399385 /nfs/dbraw/zinc/39/93/85/185399385.db2.gz OQHMKPLSJGMCGA-OAHLLOKOSA-N 0 0 317.351 4.098 50 0 DIAARN Cc1nccc(-c2cccc(NC(=O)/C=C\c3cccs3)c2)n1 ZINC000097044280 185402298 /nfs/dbraw/zinc/40/22/98/185402298.db2.gz CDIVABMEIMEFAN-FPLPWBNLSA-N 0 0 321.405 4.165 50 0 DIAARN COc1ccc(-c2nc(COc3cccc(C(C)=O)c3)co2)cc1 ZINC000025472899 190650245 /nfs/dbraw/zinc/65/02/45/190650245.db2.gz WBLOXUXWZPETMX-UHFFFAOYSA-N 0 0 323.348 4.132 50 0 DIAARN Cc1nc(C(=O)O[C@H](C)c2nccs2)c(-c2ccccc2)o1 ZINC000097136959 185413953 /nfs/dbraw/zinc/41/39/53/185413953.db2.gz YJIDPQIPJUUOKU-SNVBAGLBSA-N 0 0 314.366 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/nfs/dbraw/zinc/03/79/77/191037977.db2.gz VDIUSAJPBJGQPG-INIZCTEOSA-N 0 0 309.413 4.089 50 0 DIAARN Clc1cccc(Cl)c1OCc1nc(-c2ccccn2)no1 ZINC000072145131 191050896 /nfs/dbraw/zinc/05/08/96/191050896.db2.gz YWXFNMVFXQEKFP-UHFFFAOYSA-N 0 0 322.151 4.017 50 0 DIAARN c1ncn(C2CCCCC2)c1CN1CCC[C@@H]1c1ccccn1 ZINC000072156183 191059335 /nfs/dbraw/zinc/05/93/35/191059335.db2.gz NYICGRMPXPJVQQ-LJQANCHMSA-N 0 0 310.445 4.120 50 0 DIAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)cs1 ZINC000072259975 191088932 /nfs/dbraw/zinc/08/89/32/191088932.db2.gz HMYLYUXLBXAKIA-UHFFFAOYSA-N 0 0 301.342 4.077 50 0 DIAARN Cc1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)o1 ZINC000072243331 191086233 /nfs/dbraw/zinc/08/62/33/191086233.db2.gz QQMULYQUUOYCRQ-UHFFFAOYSA-N 0 0 309.340 4.324 50 0 DIAARN O=C(NCc1ccc(F)cc1)c1ccc(Oc2ccccc2)o1 ZINC000072264847 191089295 /nfs/dbraw/zinc/08/92/95/191089295.db2.gz QFLFOVDOHANHLH-UHFFFAOYSA-N 0 0 311.312 4.141 50 0 DIAARN Cc1nc([C@H](C)NC(=O)N(Cc2ccccc2)C(C)C)cs1 ZINC000072271612 191094622 /nfs/dbraw/zinc/09/46/22/191094622.db2.gz CCYRRWUUQJPRJV-ZDUSSCGKSA-N 0 0 317.458 4.133 50 0 DIAARN C[C@@H](CC(=O)N1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000072285905 191104554 /nfs/dbraw/zinc/10/45/54/191104554.db2.gz AZRHEDBYFSMDCY-GOEBONIOSA-N 0 0 314.454 4.391 50 0 DIAARN Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000072285957 191104623 /nfs/dbraw/zinc/10/46/23/191104623.db2.gz RYGXLFUJRGEYDT-MRXNPFEDSA-N 0 0 314.454 4.138 50 0 DIAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1nc(C2CC2)cs1 ZINC000072289031 191107311 /nfs/dbraw/zinc/10/73/11/191107311.db2.gz ZUDTZIKURFCQSV-OSMZGAPFSA-N 0 0 305.447 4.205 50 0 DIAARN Cc1coc(-c2cccc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c2)n1 ZINC000253370942 186301614 /nfs/dbraw/zinc/30/16/14/186301614.db2.gz YNAZOTTYJCTMPU-GVDBMIGSSA-N 0 0 310.397 4.020 50 0 DIAARN CC[C@H](O)CCCNC(=O)c1sccc1-c1ccc(C)cc1 ZINC000072306625 191117899 /nfs/dbraw/zinc/11/78/99/191117899.db2.gz LSJBMGHPJNTGPA-HNNXBMFYSA-N 0 0 317.454 4.004 50 0 DIAARN Cc1ccc(S(=O)(=O)[C@H](C)c2ncc(C(C)(C)C)o2)cc1C ZINC000072312669 191120193 /nfs/dbraw/zinc/12/01/93/191120193.db2.gz ANSKRYXMIJXQRX-CYBMUJFWSA-N 0 0 321.442 4.124 50 0 DIAARN Cc1ccc2c(ccn2CCC(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000072324658 191123450 /nfs/dbraw/zinc/12/34/50/191123450.db2.gz MVEXWDDQOKWHOV-UHFFFAOYSA-N 0 0 317.392 4.460 50 0 biogenic DIAARN CCc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000072329179 191123797 /nfs/dbraw/zinc/12/37/97/191123797.db2.gz HSGZRWSRNZDLQU-AWEZNQCLSA-N 0 0 319.408 4.130 50 0 DIAARN Cc1ccc(-c2n[nH]cc2C(=O)NCCC2=CCCCC2)cc1 ZINC000072328915 191124130 /nfs/dbraw/zinc/12/41/30/191124130.db2.gz XZJPYHBJYFJXRO-UHFFFAOYSA-N 0 0 309.413 4.005 50 0 DIAARN O=C(NCc1ccc(F)cc1Cl)c1cc(F)ccc1Cl ZINC000072331792 191125150 /nfs/dbraw/zinc/12/51/50/191125150.db2.gz PJLYPFDEWWXJAJ-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN O=C(NCc1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000072331434 191125164 /nfs/dbraw/zinc/12/51/64/191125164.db2.gz CTXZNUVDWZYHMA-UHFFFAOYSA-N 0 0 313.706 4.289 50 0 DIAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(F)cc1Cl ZINC000072331678 191125299 /nfs/dbraw/zinc/12/52/99/191125299.db2.gz WXICBLNGYSAAOI-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN CC(C)Oc1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 ZINC000072331810 191125332 /nfs/dbraw/zinc/12/53/32/191125332.db2.gz CVTZVWQFYZAMDM-UHFFFAOYSA-N 0 0 321.779 4.196 50 0 DIAARN O=C(NCc1ccc(F)cc1Cl)c1c(F)cccc1Cl ZINC000072331816 191125344 /nfs/dbraw/zinc/12/53/44/191125344.db2.gz HAEHYUZPWYUGNJ-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000072331443 191125496 /nfs/dbraw/zinc/12/54/96/191125496.db2.gz WWBIMEIPHAVFGG-UHFFFAOYSA-N 0 0 303.789 4.059 50 0 DIAARN CN(C(=O)Nc1ccccc1N1CCCCC1)C1CCCC1 ZINC000172290139 198071294 /nfs/dbraw/zinc/07/12/94/198071294.db2.gz OLZHIHGZNHZSKT-UHFFFAOYSA-N 0 0 301.434 4.083 50 0 DIAARN CCc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl ZINC000000001203 180667644 /nfs/dbraw/zinc/66/76/44/180667644.db2.gz SONHVLIDLXLSOL-UHFFFAOYSA-N 0 0 319.191 4.255 50 0 in-man DIAARN COC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000000030125 180671421 /nfs/dbraw/zinc/67/14/21/180671421.db2.gz VQTJSSZRIMXCMX-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 ZINC000000056954 180680176 /nfs/dbraw/zinc/68/01/76/180680176.db2.gz OCWYEMOEOGEQAN-UHFFFAOYSA-N 0 0 315.804 4.385 50 0 in-man DIAARN CCOc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O ZINC000000070988 180683492 /nfs/dbraw/zinc/68/34/92/180683492.db2.gz OPHWBTXQDRYMNW-MIFVOYFBSA-N 0 0 319.360 4.095 50 0 DIAARN COc1ccccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000042005 180675325 /nfs/dbraw/zinc/67/53/25/180675325.db2.gz NFBQBJNPBOTHQI-ZANVPECISA-N 0 0 314.212 4.225 50 0 DIAARN Cc1oc2ccc(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C ZINC000000044515 180676558 /nfs/dbraw/zinc/67/65/58/180676558.db2.gz MSHNHUTYKOUGEH-UHFFFAOYSA-N 0 0 318.369 4.258 50 0 biogenic DIAARN O=C(Cc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000000045866 180677227 /nfs/dbraw/zinc/67/72/27/180677227.db2.gz AVTDAHWQYFWOCD-UHFFFAOYSA-N 0 0 324.605 4.284 50 0 DIAARN Cc1nc(C(=O)Nc2cc(Cl)ccc2O)c(C(C)C)s1 ZINC000072402182 191151297 /nfs/dbraw/zinc/15/12/97/191151297.db2.gz WSOIUUMJXRJOJX-UHFFFAOYSA-N 0 0 310.806 4.186 50 0 DIAARN Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000050425 180678327 /nfs/dbraw/zinc/67/83/27/180678327.db2.gz OTPUIPZIPYDMAC-UHFFFAOYSA-N 0 0 304.349 4.313 50 0 DIAARN O=C(CCCc1ccccc1)Nc1nc(-c2cccnc2)cs1 ZINC000072401584 191151457 /nfs/dbraw/zinc/15/14/57/191151457.db2.gz SHARFVJYTBVTQE-UHFFFAOYSA-N 0 0 323.421 4.167 50 0 DIAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1 ZINC000000072532 180684048 /nfs/dbraw/zinc/68/40/48/180684048.db2.gz NWYYCFCJPSVIQI-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN NC(=S)S[C@H](CC(=O)c1ccccc1)c1ccsc1 ZINC000000074464 180684654 /nfs/dbraw/zinc/68/46/54/180684654.db2.gz PEGKBRXZOKOCGM-CYBMUJFWSA-N 0 0 307.465 4.039 50 0 DIAARN C[C@H](c1ccon1)N(C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072418137 191157747 /nfs/dbraw/zinc/15/77/47/191157747.db2.gz UVVXGCSQOFNGNC-GFCCVEGCSA-N 0 0 322.368 4.004 50 0 DIAARN Cc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 ZINC000000076112 180685094 /nfs/dbraw/zinc/68/50/94/180685094.db2.gz KGPWWUWHPFZUBA-UHFFFAOYSA-N 0 0 302.786 4.071 50 0 DIAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)C1CCCCC1 ZINC000000078593 180685650 /nfs/dbraw/zinc/68/56/50/180685650.db2.gz XRVKLDLFUWAQJZ-UHFFFAOYSA-N 0 0 307.393 4.436 50 0 DIAARN CCn1c2ccccc2nc1[C@@H](O)c1cccc2ccccc21 ZINC000000079143 180686184 /nfs/dbraw/zinc/68/61/84/180686184.db2.gz DQIFGQGNTNUKJV-IBGZPJMESA-N 0 0 302.377 4.291 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1 ZINC000000080842 180686256 /nfs/dbraw/zinc/68/62/56/180686256.db2.gz FBQLHSPREUMECT-UHFFFAOYSA-N 0 0 313.360 4.482 50 0 DIAARN COc1ccc(NC(=S)Nc2ccc(SC)cc2)cc1 ZINC000000093899 180690318 /nfs/dbraw/zinc/69/03/18/180690318.db2.gz LGQDCWBABSOHLG-UHFFFAOYSA-N 0 0 304.440 4.226 50 0 DIAARN COC(=O)c1sc2nc(C)c(Cl)c(C)c2c1-n1cccc1 ZINC000000095105 180690815 /nfs/dbraw/zinc/69/08/15/180690815.db2.gz AZZSQZCOFLJCGC-UHFFFAOYSA-N 0 0 320.801 4.144 50 0 DIAARN Cc1cc(C[C@@H](C)n2ccnc2-c2ccc(Cl)s2)n[nH]1 ZINC000072421451 191158072 /nfs/dbraw/zinc/15/80/72/191158072.db2.gz LMTQHMAXBRKXQH-SNVBAGLBSA-N 0 0 306.822 4.100 50 0 DIAARN Clc1cc(NCc2cc(-c3ccco3)on2)nc2[nH]ccc21 ZINC000072425982 191160027 /nfs/dbraw/zinc/16/00/27/191160027.db2.gz MZFDDIATKASOMU-UHFFFAOYSA-N 0 0 314.732 4.076 50 0 DIAARN O=C1OC(c2ccccc2)=N/C1=C/c1cc(Cl)cc(Cl)c1 ZINC000000111606 180696639 /nfs/dbraw/zinc/69/66/39/180696639.db2.gz FVTCBXIOCLAOFH-RIYZIHGNSA-N 0 0 318.159 4.338 50 0 DIAARN Cc1cccn2cc(CSc3cccc4cccnc43)nc12 ZINC000000125968 180701146 /nfs/dbraw/zinc/70/11/46/180701146.db2.gz FKIOXOGTTQIVNY-UHFFFAOYSA-N 0 0 305.406 4.483 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)cc1 ZINC000072437349 191165463 /nfs/dbraw/zinc/16/54/63/191165463.db2.gz BMVFVWCNWPVARC-UHFFFAOYSA-N 0 0 319.364 4.138 50 0 DIAARN COc1cccc(CC[C@H]2CCCN(c3nccs3)C2)c1 ZINC000072429905 191163318 /nfs/dbraw/zinc/16/33/18/191163318.db2.gz MROKRDDDROLQQX-OAHLLOKOSA-N 0 0 302.443 4.001 50 0 DIAARN O=C(CCc1ccccc1)Nc1ccccc1Br ZINC000000135954 180704613 /nfs/dbraw/zinc/70/46/13/180704613.db2.gz IKFFKHBEKDTROE-UHFFFAOYSA-N 0 0 304.187 4.020 50 0 DIAARN CC(C)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000000138202 180704972 /nfs/dbraw/zinc/70/49/72/180704972.db2.gz TYRXHZZIANOXSC-UHFFFAOYSA-N 0 0 319.202 4.220 50 0 DIAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000000144500 180707378 /nfs/dbraw/zinc/70/73/78/180707378.db2.gz RJUJBJDFMHZSRP-LFYBBSHMSA-N 0 0 302.757 4.358 50 0 DIAARN O=c1oc(-c2ccccc2F)nc2sc3c(c21)CCCCC3 ZINC000000130318 180702885 /nfs/dbraw/zinc/70/28/85/180702885.db2.gz LKUMQIGOOJWQEK-UHFFFAOYSA-N 0 0 315.369 4.325 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000000132036 180703262 /nfs/dbraw/zinc/70/32/62/180703262.db2.gz ZAIVPCBDPAIPNN-UHFFFAOYSA-N 0 0 321.332 4.060 50 0 DIAARN C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1 ZINC000072454240 191171565 /nfs/dbraw/zinc/17/15/65/191171565.db2.gz OQDPSEVZWFMGCM-HNNXBMFYSA-N 0 0 315.457 4.009 50 0 DIAARN Cc1cccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)c1 ZINC000000146438 180708392 /nfs/dbraw/zinc/70/83/92/180708392.db2.gz VOWQEJCLMCCQGU-UHFFFAOYSA-N 0 0 312.438 4.047 50 0 DIAARN COC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000148935 180708729 /nfs/dbraw/zinc/70/87/29/180708729.db2.gz OQYGAWVGXRDZHE-UHFFFAOYSA-N 0 0 324.405 4.009 50 0 DIAARN c1ccc(CSc2nccc(-c3ccc4c(c3)CCO4)n2)cc1 ZINC000000150013 180709390 /nfs/dbraw/zinc/70/93/90/180709390.db2.gz KFWKDEZSMZJJJD-UHFFFAOYSA-N 0 0 320.417 4.371 50 0 DIAARN CCOC(=O)c1c(Cl)c2cc(Cl)ccc2nc1SC ZINC000000161520 180712121 /nfs/dbraw/zinc/71/21/21/180712121.db2.gz NRGNGBKXHHRCBD-UHFFFAOYSA-N 0 0 316.209 4.440 50 0 DIAARN Clc1ccc([C@H]2CN(c3nccs3)CCO2)cc1Cl ZINC000072477416 191179028 /nfs/dbraw/zinc/17/90/28/191179028.db2.gz CTQAKKCXIIFMQQ-GFCCVEGCSA-N 0 0 315.225 4.028 50 0 DIAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000000208391 180725845 /nfs/dbraw/zinc/72/58/45/180725845.db2.gz ICEBPVYZLBWHKE-FQEVSTJZSA-N 0 0 314.388 4.453 50 0 DIAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1/C=C/c1ccccc1 ZINC000000194805 180721860 /nfs/dbraw/zinc/72/18/60/180721860.db2.gz JDCIBUHMPXHPAP-PCUGXKRQSA-N 0 0 312.409 4.171 50 0 biogenic DIAARN Cc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 ZINC000000199300 180723076 /nfs/dbraw/zinc/72/30/76/180723076.db2.gz VISZWKRMRJGJSB-UHFFFAOYSA-N 0 0 300.358 4.476 50 0 DIAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCCC1 ZINC000000200552 180723488 /nfs/dbraw/zinc/72/34/88/180723488.db2.gz GBFJGXCHGTUEFO-UHFFFAOYSA-N 0 0 308.406 4.199 50 0 DIAARN CC(C)CCOc1ccccc1Cn1c2ccccc2oc1=O ZINC000000203176 180724117 /nfs/dbraw/zinc/72/41/17/180724117.db2.gz RXDZIUDKYYWITI-UHFFFAOYSA-N 0 0 311.381 4.068 50 0 DIAARN COc1ccc(CCC(=O)Nc2cccc3ccc(C)nc32)cc1 ZINC000000204951 180724571 /nfs/dbraw/zinc/72/45/71/180724571.db2.gz NODBJFYQYVUCCT-UHFFFAOYSA-N 0 0 320.392 4.123 50 0 DIAARN Cc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222926 180731185 /nfs/dbraw/zinc/73/11/85/180731185.db2.gz KIBNYUGLVAQCCK-QZTJIDSGSA-N 0 0 304.397 4.041 50 0 DIAARN O=C(CSCc1cccc(F)c1)NCc1ccccc1Cl ZINC000000260408 180740360 /nfs/dbraw/zinc/74/03/60/180740360.db2.gz STSUCUFIDNZXBV-UHFFFAOYSA-N 0 0 323.820 4.029 50 0 DIAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CC1 ZINC000000260838 180740571 /nfs/dbraw/zinc/74/05/71/180740571.db2.gz RPZXMEULKLOILP-UHFFFAOYSA-N 0 0 316.404 4.356 50 0 DIAARN COc1ccc2c(c1)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000271624 180744629 /nfs/dbraw/zinc/74/46/29/180744629.db2.gz JZRSBOQDYDZQKK-FQEVSTJZSA-N 0 0 307.393 4.225 50 0 DIAARN COc1ccc(CNc2cccc(F)c2)cc1Br ZINC000000280055 180745632 /nfs/dbraw/zinc/74/56/32/180745632.db2.gz KJHFOKLYIDHBEJ-UHFFFAOYSA-N 0 0 310.166 4.209 50 0 DIAARN O=C(Nc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000000312193 180756188 /nfs/dbraw/zinc/75/61/88/180756188.db2.gz FZQKWVYLIVFTAR-UHFFFAOYSA-N 0 0 315.682 4.398 50 0 DIAARN COc1ccc(CCCC(=O)Nc2cc(F)ccc2C)c(C)c1 ZINC000000314542 180756868 /nfs/dbraw/zinc/75/68/68/180756868.db2.gz JWDDAOGBLFHLKJ-UHFFFAOYSA-N 0 0 315.388 4.413 50 0 DIAARN O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1cccc(F)c1 ZINC000000296608 180751346 /nfs/dbraw/zinc/75/13/46/180751346.db2.gz CMBKPKHZUSNLAP-WOJGMQOQSA-N 0 0 317.319 4.323 50 0 DIAARN COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000000303060 180752997 /nfs/dbraw/zinc/75/29/97/180752997.db2.gz KZDMDWTWPJSEQG-UHFFFAOYSA-N 0 0 320.270 4.431 50 0 DIAARN COc1ccccc1OC(=O)/C=C/c1cccc2ccccc12 ZINC000000306430 180754236 /nfs/dbraw/zinc/75/42/36/180754236.db2.gz GMSLDDDMPPEZLN-BUHFOSPRSA-N 0 0 304.345 4.467 50 0 DIAARN O=C(/C=C/c1ccnc2ccccc12)NCc1ccc(Cl)cc1 ZINC000000338861 180761171 /nfs/dbraw/zinc/76/11/71/180761171.db2.gz TUXNNHHKCGWUPI-JXMROGBWSA-N 0 0 322.795 4.218 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000000341399 180761881 /nfs/dbraw/zinc/76/18/81/180761881.db2.gz HDNRRPCKROKAFT-UHFFFAOYSA-N 0 0 322.364 4.260 50 0 DIAARN CC[C@@]1(c2csc(Nc3ccccc3C)n2)CCC(=O)O1 ZINC000000345971 180762551 /nfs/dbraw/zinc/76/25/51/180762551.db2.gz VZQYOGBMAINOEG-INIZCTEOSA-N 0 0 302.399 4.137 50 0 DIAARN O=C(c1ccccc1)N(c1ccccc1)C1=NCCCCS1 ZINC000000336324 180760486 /nfs/dbraw/zinc/76/04/86/180760486.db2.gz UQKAQSDDFXXTKQ-UHFFFAOYSA-N 0 0 310.422 4.216 50 0 DIAARN Cc1cc(C)n(C(=O)c2sc3cc(C)ccc3c2Cl)n1 ZINC000000372106 180769234 /nfs/dbraw/zinc/76/92/34/180769234.db2.gz RPLZDGWJFUDOPM-UHFFFAOYSA-N 0 0 304.802 4.365 50 0 DIAARN Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000000347671 180763436 /nfs/dbraw/zinc/76/34/36/180763436.db2.gz GDKQIWUTAZIASG-UHFFFAOYSA-N 0 0 305.164 4.001 50 0 DIAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC)ccc32)cc1 ZINC000000348954 180763733 /nfs/dbraw/zinc/76/37/33/180763733.db2.gz DDKSFLLFPDQYKG-UHFFFAOYSA-N 0 0 309.365 4.159 50 0 DIAARN CCc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000000363658 180766857 /nfs/dbraw/zinc/76/68/57/180766857.db2.gz XKJJJIWCBFMMTQ-GFCCVEGCSA-N 0 0 317.458 4.041 50 0 DIAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000000365096 180768129 /nfs/dbraw/zinc/76/81/29/180768129.db2.gz VQPSLUJOJGYAEF-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 ZINC000000365083 180768387 /nfs/dbraw/zinc/76/83/87/180768387.db2.gz DBPOVYRITHHGRH-ZDUSSCGKSA-N 0 0 301.411 4.123 50 0 DIAARN O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 ZINC000000404148 180778239 /nfs/dbraw/zinc/77/82/39/180778239.db2.gz QCWBJFYOEHCELV-IBGZPJMESA-N 0 0 315.372 4.411 50 0 DIAARN O=C1c2ccccc2CC[C@@H]1n1nc(-c2ccccc2)oc1=S ZINC000000392171 180775554 /nfs/dbraw/zinc/77/55/54/180775554.db2.gz CYSXRDZPZVMRAN-HNNXBMFYSA-N 0 0 322.389 4.243 50 0 DIAARN CCc1cc2c(cc1OC)occ(Oc1ccccc1F)c2=O ZINC000000396044 180776687 /nfs/dbraw/zinc/77/66/87/180776687.db2.gz IJLYDOGXMDUYAE-UHFFFAOYSA-N 0 0 314.312 4.295 50 0 DIAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000434364 180790020 /nfs/dbraw/zinc/79/00/20/180790020.db2.gz TUMWBGCQYGXRJI-LLVKDONJSA-N 0 0 321.829 4.468 50 0 DIAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000439348 180791195 /nfs/dbraw/zinc/79/11/95/180791195.db2.gz JLIOZTSQXREISZ-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3C)sc2n1 ZINC000000422672 180784591 /nfs/dbraw/zinc/78/45/91/180784591.db2.gz VVPPTSIQGANBGA-UHFFFAOYSA-N 0 0 311.410 4.056 50 0 DIAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccccc1F ZINC000000424016 180785145 /nfs/dbraw/zinc/78/51/45/180785145.db2.gz IJVGZJIVFSHUQS-OAHLLOKOSA-N 0 0 307.777 4.258 50 0 DIAARN CCc1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000000423688 180785293 /nfs/dbraw/zinc/78/52/93/180785293.db2.gz JGNFPKBGTCSXRV-UHFFFAOYSA-N 0 0 322.364 4.165 50 0 DIAARN COc1ccc2c(c1)oc(C)c(-c1ccccc1Cl)c2=O ZINC000000458618 180797502 /nfs/dbraw/zinc/79/75/02/180797502.db2.gz HFLJUMCNZOHOTH-UHFFFAOYSA-N 0 0 300.741 4.430 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000000461327 180798037 /nfs/dbraw/zinc/79/80/37/180798037.db2.gz YPLJIJRQNDNTDH-WDEREUQCSA-N 0 0 316.228 4.162 50 0 DIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000000462169 180798590 /nfs/dbraw/zinc/79/85/90/180798590.db2.gz GLPJKHZQIMLZCY-UHFFFAOYSA-N 0 0 309.837 4.336 50 0 DIAARN Cc1oc(C(=O)Nc2ccc(O)cc2)cc1COc1ccccc1 ZINC000000446427 180793526 /nfs/dbraw/zinc/79/35/26/180793526.db2.gz ZJFWEPODJBPURP-UHFFFAOYSA-N 0 0 323.348 4.125 50 0 DIAARN O=C(CNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000000446231 180793915 /nfs/dbraw/zinc/79/39/15/180793915.db2.gz OIRRSJPCKIXCNZ-UHFFFAOYSA-N 0 0 324.605 4.397 50 0 DIAARN Cc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000449609 180794270 /nfs/dbraw/zinc/79/42/70/180794270.db2.gz KEDRGXROQGOSLQ-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1 ZINC000000471998 180801531 /nfs/dbraw/zinc/80/15/31/180801531.db2.gz KASHXJGJSKQHKS-UHFFFAOYSA-N 0 0 320.751 4.080 50 0 DIAARN CCc1cccc(CC)c1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000473385 180802015 /nfs/dbraw/zinc/80/20/15/180802015.db2.gz PDJFTPKVXOGVRO-PKNBQFBNSA-N 0 0 323.392 4.192 50 0 DIAARN Cc1noc(C)c1[C@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000072946923 191255554 /nfs/dbraw/zinc/25/55/54/191255554.db2.gz MQSUIICVVUWGJC-QMMMGPOBSA-N 0 0 302.403 4.086 50 0 DIAARN CC(C)Oc1ccc([C@@H](CC(=O)N2CCCC2)C(C)C)cc1 ZINC000000488682 180806000 /nfs/dbraw/zinc/80/60/00/180806000.db2.gz CDFFRFDEYZWEEU-SFHVURJKSA-N 0 0 303.446 4.226 50 0 biogenic DIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000000505791 180809331 /nfs/dbraw/zinc/80/93/31/180809331.db2.gz VIXGPCUXOJWAOC-AWEZNQCLSA-N 0 0 313.397 4.226 50 0 DIAARN O=C(C[C@@H](Cc1ccccc1)c1ccco1)Nc1nccs1 ZINC000000510144 180810245 /nfs/dbraw/zinc/81/02/45/180810245.db2.gz XCBKVSRNHRCRML-CQSZACIVSA-N 0 0 312.394 4.091 50 0 DIAARN O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 ZINC000000522242 180812519 /nfs/dbraw/zinc/81/25/19/180812519.db2.gz GYPHHDMJCMYUSU-UHFFFAOYSA-N 0 0 313.788 4.186 50 0 DIAARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1C1CCCCC1 ZINC000000528833 180813982 /nfs/dbraw/zinc/81/39/82/180813982.db2.gz UDNNIJBLRQHNPK-UHFFFAOYSA-N 0 0 301.777 4.036 50 0 DIAARN CCCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000000550034 180819859 /nfs/dbraw/zinc/81/98/59/180819859.db2.gz JPJAJKLCYRZVNH-UHFFFAOYSA-N 0 0 317.410 4.330 50 0 DIAARN C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000000611414 180828508 /nfs/dbraw/zinc/82/85/08/180828508.db2.gz AEIKCMFXPQGJLK-SECBINFHSA-N 0 0 310.184 4.271 50 0 DIAARN CC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000000611861 180828558 /nfs/dbraw/zinc/82/85/58/180828558.db2.gz KZBVNTFEPXUPIN-UHFFFAOYSA-N 0 0 306.724 4.326 50 0 DIAARN COc1ccccc1[C@@H]1Nc2c(C)cccc2-c2cc(C)nn21 ZINC000000818103 180835304 /nfs/dbraw/zinc/83/53/04/180835304.db2.gz LJEDXARQLGGUKX-LJQANCHMSA-N 0 0 305.381 4.148 50 0 DIAARN CCCc1noc(-c2c(C)onc2-c2ccccc2Cl)n1 ZINC000000861667 180836360 /nfs/dbraw/zinc/83/63/60/180836360.db2.gz SVIPXQRSSGGANP-UHFFFAOYSA-N 0 0 303.749 4.306 50 0 DIAARN CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000000620747 180831240 /nfs/dbraw/zinc/83/12/40/180831240.db2.gz LDZYOFBCCSLLOK-VIFPVBQESA-N 0 0 304.217 4.066 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000001056632 180844250 /nfs/dbraw/zinc/84/42/50/180844250.db2.gz ISZVVCZSPYSGEP-UHFFFAOYSA-N 0 0 310.378 4.112 50 0 DIAARN Cc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000000912356 180837373 /nfs/dbraw/zinc/83/73/73/180837373.db2.gz FMXJDHDCPXNHAJ-UHFFFAOYSA-N 0 0 320.417 4.469 50 0 DIAARN C[C@H]1CCc2c(sc3ncnc(NCCc4ccccc4)c23)C1 ZINC000001006964 180840396 /nfs/dbraw/zinc/84/03/96/180840396.db2.gz YMLWLCLBGIKDOE-ZDUSSCGKSA-N 0 0 323.465 4.471 50 0 DIAARN CC(C)c1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1 ZINC000001021571 180841799 /nfs/dbraw/zinc/84/17/99/180841799.db2.gz FEWVXAXUJHNMPA-FMIVXFBMSA-N 0 0 305.421 4.408 50 0 DIAARN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(Cl)s2)C1=O ZINC000001162164 180848236 /nfs/dbraw/zinc/84/82/36/180848236.db2.gz NLIVGMUSTNNFES-AXDULGOBSA-N 0 0 301.820 4.236 50 0 DIAARN Cc1cc(Cl)ccc1OC(F)(F)C(=O)NC1CCCCC1 ZINC000001400369 180861603 /nfs/dbraw/zinc/86/16/03/180861603.db2.gz AFSBMHSJFMHJBR-UHFFFAOYSA-N 0 0 317.763 4.069 50 0 DIAARN c1ccc(Cn2c3ccccc3n3nc(-c4ccccc4)nc23)cc1 ZINC000001404590 180862505 /nfs/dbraw/zinc/86/25/05/180862505.db2.gz ZLECLFCUZKMAFG-UHFFFAOYSA-N 0 0 324.387 4.399 50 0 DIAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccnc1Cl ZINC000001418815 180863628 /nfs/dbraw/zinc/86/36/28/180863628.db2.gz LOTCNIKGJJGAFR-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN Oc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000001414060 180864093 /nfs/dbraw/zinc/86/40/93/180864093.db2.gz PCJUWMIOZDQJIM-UHFFFAOYSA-N 0 0 304.271 4.264 50 0 DIAARN CSCc1cc(Oc2ccccc2)nc(-c2ccccn2)n1 ZINC000001382547 180857448 /nfs/dbraw/zinc/85/74/48/180857448.db2.gz DCCGWHMCYDVJHP-UHFFFAOYSA-N 0 0 309.394 4.194 50 0 DIAARN FC(F)(F)c1nnc(-c2ccccc2)nc1Oc1ccccc1 ZINC000001390221 180858811 /nfs/dbraw/zinc/85/88/11/180858811.db2.gz VVHDGOHGCRRHHF-UHFFFAOYSA-N 0 0 317.270 4.350 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1cc(Cl)cc(Cl)c1N ZINC000001392093 180859739 /nfs/dbraw/zinc/85/97/39/180859739.db2.gz SPWSUKSDKCJIBE-UHFFFAOYSA-N 0 0 309.196 4.445 50 0 DIAARN CCOC(=O)N[C@H](c1ccccc1F)[C@H]1CCCCCCC1=O ZINC000001394474 180860104 /nfs/dbraw/zinc/86/01/04/180860104.db2.gz VWADWCHWRONRRC-WMLDXEAASA-N 0 0 321.392 4.152 50 0 DIAARN COc1ccc(OCCCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000001778178 180895711 /nfs/dbraw/zinc/89/57/11/180895711.db2.gz OOESGNAGKOVSIR-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN CCCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000001777979 180895776 /nfs/dbraw/zinc/89/57/76/180895776.db2.gz CLHOLHMGLHWWSU-UKYUDJEDSA-N 0 0 309.409 4.366 50 0 DIAARN CCCCn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000001780726 180896038 /nfs/dbraw/zinc/89/60/38/180896038.db2.gz VYJZUAZOWWBINS-UHFFFAOYSA-N 0 0 316.401 4.373 50 0 DIAARN CCCC[C@@H](NC(C)=O)c1nc2ccccc2n1CCCC ZINC000001927002 180902752 /nfs/dbraw/zinc/90/27/52/180902752.db2.gz QIPPZIORWVMEBJ-MRXNPFEDSA-N 0 0 301.434 4.204 50 0 DIAARN CCO[P@@](=O)(NC(C)C)Oc1ccc(SC)c(C)c1 ZINC000002015645 180906143 /nfs/dbraw/zinc/90/61/43/180906143.db2.gz ZCJPOPBZHLUFHF-SFHVURJKSA-N 0 0 303.364 4.238 50 0 endogenous,in-man DIAARN Cc1ccccc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000002048797 180908388 /nfs/dbraw/zinc/90/83/88/180908388.db2.gz CNLBEUPHUDJNIA-UHFFFAOYSA-N 0 0 324.401 4.430 50 0 DIAARN CC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000002167860 180913677 /nfs/dbraw/zinc/91/36/77/180913677.db2.gz TWVJQUFUSZRCGW-UHFFFAOYSA-N 0 0 302.761 4.495 50 0 DIAARN CCCSc1nc2ccccc2c(=O)n1CC1CCCCC1 ZINC000002179066 180914127 /nfs/dbraw/zinc/91/41/27/180914127.db2.gz MEDPLYZSAAUSBA-UHFFFAOYSA-N 0 0 316.470 4.479 50 0 DIAARN Cc1cccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)c1 ZINC000002194120 180914888 /nfs/dbraw/zinc/91/48/88/180914888.db2.gz QJZZXTSOTHZWLG-ZDUSSCGKSA-N 0 0 319.364 4.034 50 0 DIAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000002206060 180915145 /nfs/dbraw/zinc/91/51/45/180915145.db2.gz IKZTWEDSPREIPW-WJDWOHSUSA-N 0 0 309.390 4.232 50 0 DIAARN O=C(CSc1nc2cccnc2[nH]1)c1ccc2ccccc2c1 ZINC000002344133 180920598 /nfs/dbraw/zinc/92/05/98/180920598.db2.gz LCONQYJMHPJVCJ-UHFFFAOYSA-N 0 0 319.389 4.086 50 0 DIAARN CCCCCCNc1nc(Cl)nc(Nc2ccccc2)n1 ZINC000002359475 180920948 /nfs/dbraw/zinc/92/09/48/180920948.db2.gz ZNSBTKQZRZZRGG-UHFFFAOYSA-N 0 0 305.813 4.261 50 0 DIAARN CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(F)cc1 ZINC000002414632 180923189 /nfs/dbraw/zinc/92/31/89/180923189.db2.gz KZZSQGRCKCLCRL-OAHLLOKOSA-N 0 0 318.325 4.355 50 0 DIAARN Cc1cccc(-c2nnc(SCc3ccc(F)cc3)n2C)c1 ZINC000002531725 180932647 /nfs/dbraw/zinc/93/26/47/180932647.db2.gz LAGVSRFNSMIDKF-UHFFFAOYSA-N 0 0 313.401 4.222 50 0 DIAARN COc1cccc(CCC(=O)c2cccc(Br)c2)c1 ZINC000002516505 180930173 /nfs/dbraw/zinc/93/01/73/180930173.db2.gz RNLDWFPGXRUKSI-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN CCOC(=O)c1ccc(C(=O)CCc2cc(C)ccc2C)cc1 ZINC000002517535 180930721 /nfs/dbraw/zinc/93/07/21/180930721.db2.gz JAYAIZJCFGYHOU-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN Cc1cc(C)n(C(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000002737559 180950331 /nfs/dbraw/zinc/95/03/31/180950331.db2.gz MSFYJQMWCPXNTN-UHFFFAOYSA-N 0 0 304.393 4.362 50 0 DIAARN CCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000002733983 180950376 /nfs/dbraw/zinc/95/03/76/180950376.db2.gz NRWODUFCOAXXBA-NSHDSACASA-N 0 0 323.458 4.178 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000002752409 180952415 /nfs/dbraw/zinc/95/24/15/180952415.db2.gz UUSDTUYTQCRMHS-KUCQQTCKSA-N 0 0 322.246 4.253 50 0 DIAARN Cc1ccc(NC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000002764154 180953300 /nfs/dbraw/zinc/95/33/00/180953300.db2.gz WRFMKPTWCQFXAY-NSHDSACASA-N 0 0 301.415 4.220 50 0 DIAARN CCc1ccc(NC(=O)N2CCn3c(C)ccc3[C@H]2CC)cc1 ZINC000002908285 180969921 /nfs/dbraw/zinc/96/99/21/180969921.db2.gz MCBIYTZORPNGNK-QGZVFWFLSA-N 0 0 311.429 4.358 50 0 DIAARN CCCCC1CCC(C(=O)Nc2nnc(CCC)s2)CC1 ZINC000002866576 180965436 /nfs/dbraw/zinc/96/54/36/180965436.db2.gz CSMAYCVQUFNRAA-UHFFFAOYSA-N 0 0 309.479 4.426 50 0 DIAARN Cc1cc2ncn(C(=O)CCSc3ccccc3)c2cc1C ZINC000002873137 180965787 /nfs/dbraw/zinc/96/57/87/180965787.db2.gz AKFGIJCXNNLSKT-UHFFFAOYSA-N 0 0 310.422 4.476 50 0 DIAARN COc1ccc(OCCCOc2ccccc2OC(C)C)cc1 ZINC000002985008 180973884 /nfs/dbraw/zinc/97/38/84/180973884.db2.gz GKYKNUVEZXSODT-UHFFFAOYSA-N 0 0 316.397 4.330 50 0 DIAARN COc1ccccc1OCCOc1cc(C)c(Cl)c(C)c1 ZINC000002985117 180974026 /nfs/dbraw/zinc/97/40/26/180974026.db2.gz ZGZGJMTXJSNRIW-UHFFFAOYSA-N 0 0 306.789 4.423 50 0 DIAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2ccccc21 ZINC000003200143 180991060 /nfs/dbraw/zinc/99/10/60/180991060.db2.gz KTLSVPONIZTUTC-UHFFFAOYSA-N 0 0 313.400 4.485 50 0 DIAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2s1 ZINC000003252741 180996111 /nfs/dbraw/zinc/99/61/11/180996111.db2.gz QMECJZKVVMMGPL-LBPRGKRZSA-N 0 0 320.483 4.180 50 0 DIAARN O=C(CCc1ccccc1Cl)NCc1ccccc1Cl ZINC000003328084 181006260 /nfs/dbraw/zinc/00/62/60/181006260.db2.gz JENYLNWSBQCAIV-UHFFFAOYSA-N 0 0 308.208 4.242 50 0 DIAARN Cc1ccccc1CN(C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000003326530 181005497 /nfs/dbraw/zinc/00/54/97/181005497.db2.gz GFVXCTGIMAPMEN-UHFFFAOYSA-N 0 0 324.468 4.497 50 0 DIAARN Cc1nc(NCc2ccccc2)sc1C(=O)Nc1ccccc1 ZINC000003325104 181005577 /nfs/dbraw/zinc/00/55/77/181005577.db2.gz KVJGRJZOBHIBFH-UHFFFAOYSA-N 0 0 323.421 4.316 50 0 DIAARN COc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1 ZINC000003297293 181001347 /nfs/dbraw/zinc/00/13/47/181001347.db2.gz LJELUQZTEOENIL-UHFFFAOYSA-N 0 0 321.829 4.001 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000003303625 181002394 /nfs/dbraw/zinc/00/23/94/181002394.db2.gz SCDBWROCPZMOJV-MFKMUULPSA-N 0 0 314.401 4.153 50 0 DIAARN c1ccc(-c2ccc(OCc3nnc4n3CCCCC4)cc2)cc1 ZINC000003299401 181002445 /nfs/dbraw/zinc/00/24/45/181002445.db2.gz LDQAFZJQXKRICT-UHFFFAOYSA-N 0 0 319.408 4.251 50 0 DIAARN CCCSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000003305716 181002963 /nfs/dbraw/zinc/00/29/63/181002963.db2.gz VTBNLPMUVDWZBU-UHFFFAOYSA-N 0 0 310.426 4.140 50 0 DIAARN c1ccc(-c2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000003360116 181011762 /nfs/dbraw/zinc/01/17/62/181011762.db2.gz ZHAPWJMNWGTPSB-UHFFFAOYSA-N 0 0 314.348 4.122 50 0 DIAARN Cc1cc(C)c(C(=O)COC(=O)C=Cc2cccs2)c(C)c1 ZINC000003330067 181006934 /nfs/dbraw/zinc/00/69/34/181006934.db2.gz BGLIKCINRONJKK-VOTSOKGWSA-N 0 0 314.406 4.113 50 0 DIAARN CC(C)(C)c1csc(-c2cnn(-c3ccc(F)cc3)c2N)n1 ZINC000003331672 181007182 /nfs/dbraw/zinc/00/71/82/181007182.db2.gz WAHWAQUSYARFMW-UHFFFAOYSA-N 0 0 316.405 4.015 50 0 DIAARN Cc1csc(SCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000003344851 181009326 /nfs/dbraw/zinc/00/93/26/181009326.db2.gz JVMNVKZNPBWJLE-UHFFFAOYSA-N 0 0 306.456 4.306 50 0 DIAARN CCC(=O)Nc1ccc(-c2csc(N[C@@H](C)CC)n2)cc1 ZINC000003346861 181009832 /nfs/dbraw/zinc/00/98/32/181009832.db2.gz KMIOAAYQRMAWTK-NSHDSACASA-N 0 0 303.431 4.369 50 0 DIAARN CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000003347852 181010092 /nfs/dbraw/zinc/01/00/92/181010092.db2.gz SACIGAWNHNXIHS-LBPRGKRZSA-N 0 0 302.805 4.342 50 0 DIAARN COc1ccccc1[C@H](C)NC(=O)c1cc(C)nc2ccccc21 ZINC000003358059 181011048 /nfs/dbraw/zinc/01/10/48/181011048.db2.gz VVYBQKJECYPDRP-AWEZNQCLSA-N 0 0 320.392 4.043 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)OCc3ccccc3C)cc2)n1 ZINC000003399028 181014934 /nfs/dbraw/zinc/01/49/34/181014934.db2.gz PIYYADYNMNXZOW-UHFFFAOYSA-N 0 0 320.392 4.155 50 0 DIAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc2ccccc2n1 ZINC000003401825 181015097 /nfs/dbraw/zinc/01/50/97/181015097.db2.gz WWMRHYBPMSBBGQ-UHFFFAOYSA-N 0 0 323.352 4.236 50 0 DIAARN Cc1nc2sc3c(c2c(NCc2cccnc2)n1)CC[C@@H](C)C3 ZINC000003399349 181015220 /nfs/dbraw/zinc/01/52/20/181015220.db2.gz HSTAJKAXKSYTCE-LLVKDONJSA-N 0 0 324.453 4.132 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1ccccc1C(F)(F)F ZINC000003405635 181015683 /nfs/dbraw/zinc/01/56/83/181015683.db2.gz CNYRTIXREHRXTP-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN O=C(NCc1ccco1)c1ccccc1Nc1ccc(F)cc1 ZINC000003406694 181015883 /nfs/dbraw/zinc/01/58/83/181015883.db2.gz MXKAGYIHAJSITD-UHFFFAOYSA-N 0 0 310.328 4.092 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)cc1 ZINC000003411912 181016562 /nfs/dbraw/zinc/01/65/62/181016562.db2.gz LMLJRKNOKZEKOK-UHFFFAOYSA-N 0 0 305.299 4.446 50 0 DIAARN O=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000003410627 181016572 /nfs/dbraw/zinc/01/65/72/181016572.db2.gz ALWTYYGKTVBYRA-UHFFFAOYSA-N 0 0 320.753 4.187 50 0 aggregator 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4.448 50 0 DIAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F ZINC000003444257 181020931 /nfs/dbraw/zinc/02/09/31/181020931.db2.gz TUJIIJSXSLRJTO-UHFFFAOYSA-N 0 0 317.213 4.116 50 0 DIAARN Cc1cc(C)n2nc(SCc3cccc4ccccc43)nc2n1 ZINC000003449917 181021548 /nfs/dbraw/zinc/02/15/48/181021548.db2.gz PPGSUPGKMCMRJG-UHFFFAOYSA-N 0 0 320.421 4.187 50 0 DIAARN c1nnc(SCc2nc3ccccc3s2)n1-c1ccccc1 ZINC000003452608 181021930 /nfs/dbraw/zinc/02/19/30/181021930.db2.gz FPKVGXYXDCOCHV-UHFFFAOYSA-N 0 0 324.434 4.169 50 0 DIAARN CCOc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000003472803 181024143 /nfs/dbraw/zinc/02/41/43/181024143.db2.gz UPJVAGPEIFMYDU-UHFFFAOYSA-N 0 0 311.715 4.269 50 0 DIAARN CCCSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000003470338 181024548 /nfs/dbraw/zinc/02/45/48/181024548.db2.gz ZEQUSVXKMNXSLM-UHFFFAOYSA-N 0 0 306.818 4.489 50 0 DIAARN COc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000003481851 181024924 /nfs/dbraw/zinc/02/49/24/181024924.db2.gz RPFSZJXNIAIUGA-MDZDMXLPSA-N 0 0 321.298 4.366 50 0 DIAARN Cc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000003481255 181025258 /nfs/dbraw/zinc/02/52/58/181025258.db2.gz JWWXAGRNFVZMCW-UHFFFAOYSA-N 0 0 303.789 4.445 50 0 DIAARN O=C(CC1CCCC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000003483545 181025338 /nfs/dbraw/zinc/02/53/38/181025338.db2.gz NCKOSKFQQINFKZ-UHFFFAOYSA-N 0 0 304.390 4.468 50 0 DIAARN Cc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1C ZINC000003481138 181025393 /nfs/dbraw/zinc/02/53/93/181025393.db2.gz DCHHSBNCFRLFCV-UHFFFAOYSA-N 0 0 318.214 4.247 50 0 DIAARN Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(C)c1 ZINC000003482576 181025412 /nfs/dbraw/zinc/02/54/12/181025412.db2.gz QVKNYOXALVLPBR-UHFFFAOYSA-N 0 0 318.214 4.247 50 0 DIAARN Cc1ccc(C(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)cc1 ZINC000003489470 181025902 /nfs/dbraw/zinc/02/59/02/181025902.db2.gz KGWSLDSMBBYWCQ-ZDUSSCGKSA-N 0 0 314.406 4.130 50 0 DIAARN O=C(COc1ccc2c(c1)CCC2)Nc1cccc2ccccc21 ZINC000003512390 181028755 /nfs/dbraw/zinc/02/87/55/181028755.db2.gz RPXCYWCEGDPLJH-UHFFFAOYSA-N 0 0 317.388 4.346 50 0 DIAARN COc1cc2c(cc1NC(=O)c1ccco1)oc1ccccc12 ZINC000003517101 181029410 /nfs/dbraw/zinc/02/94/10/181029410.db2.gz MLUOXCSWRSCYDG-UHFFFAOYSA-N 0 0 307.305 4.440 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003549531 181032983 /nfs/dbraw/zinc/03/29/83/181032983.db2.gz CWPSFNLQYNZKEK-CMDGGOBGSA-N 0 0 321.298 4.366 50 0 DIAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000003548379 181033087 /nfs/dbraw/zinc/03/30/87/181033087.db2.gz QVZTVBOBWKHPDE-LLVKDONJSA-N 0 0 307.752 4.194 50 0 DIAARN COc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 ZINC000003552119 181033275 /nfs/dbraw/zinc/03/32/75/181033275.db2.gz ONCKPPCRKAAJHT-UHFFFAOYSA-N 0 0 313.397 4.254 50 0 DIAARN Cc1cnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 ZINC000003555848 181033947 /nfs/dbraw/zinc/03/39/47/181033947.db2.gz SPWDCMGOECEYMK-UHFFFAOYSA-N 0 0 310.378 4.496 50 0 DIAARN Cc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000003560911 181034668 /nfs/dbraw/zinc/03/46/68/181034668.db2.gz MXGUBUCGLLXELW-CMDGGOBGSA-N 0 0 311.259 4.139 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000003567121 181035674 /nfs/dbraw/zinc/03/56/74/181035674.db2.gz OIVMRAOHCWQDED-UHFFFAOYSA-N 0 0 301.411 4.196 50 0 DIAARN O=C(/C=C/c1ccccc1F)Nc1ccc(C(F)(F)F)cc1 ZINC000003566678 181035768 /nfs/dbraw/zinc/03/57/68/181035768.db2.gz TYXJQGQOXYSGFC-BJMVGYQFSA-N 0 0 309.262 4.496 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000003567339 181036033 /nfs/dbraw/zinc/03/60/33/181036033.db2.gz NEHPPFGUHTXKFO-UHFFFAOYSA-N 0 0 313.397 4.435 50 0 DIAARN CCSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000003536575 181031366 /nfs/dbraw/zinc/03/13/66/181031366.db2.gz ZEVSKIAJTUWRKA-UHFFFAOYSA-N 0 0 310.422 4.115 50 0 DIAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(C(C)=O)c1 ZINC000003611502 181040728 /nfs/dbraw/zinc/04/07/28/181040728.db2.gz NDDZWOFGWVCDSE-UHFFFAOYSA-N 0 0 319.360 4.303 50 0 DIAARN CCCSc1nc2c(c(=O)[nH]1)[C@](C)(CC)Cc1ccccc1-2 ZINC000003771728 181045395 /nfs/dbraw/zinc/04/53/95/181045395.db2.gz DBIFJSUGQSVQGV-GOSISDBHSA-N 0 0 314.454 4.163 50 0 DIAARN COc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000003607687 181040416 /nfs/dbraw/zinc/04/04/16/181040416.db2.gz FDPDMVGLHRGWTB-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN Cc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 ZINC000003893159 181052718 /nfs/dbraw/zinc/05/27/18/181052718.db2.gz RYCJEVGRWSBWFF-UHFFFAOYSA-N 0 0 320.388 4.478 50 0 DIAARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc(F)cc3)nc21 ZINC000003903959 181055066 /nfs/dbraw/zinc/05/50/66/181055066.db2.gz KIQGKSLFRYTHNJ-YRNVUSSQSA-N 0 0 307.324 4.470 50 0 DIAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908234 181056567 /nfs/dbraw/zinc/05/65/67/181056567.db2.gz WUQPYHFFCHVVOJ-TXEJJXNPSA-N 0 0 318.804 4.398 50 0 DIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908236 181056638 /nfs/dbraw/zinc/05/66/38/181056638.db2.gz WUQPYHFFCHVVOJ-VXGBXAGGSA-N 0 0 318.804 4.398 50 0 DIAARN CCCn1c2ccccc2nc1Nc1nc2ccccc2n1C ZINC000004037538 181065796 /nfs/dbraw/zinc/06/57/96/181065796.db2.gz LJBKHCAHPZUGRD-UHFFFAOYSA-N 0 0 305.385 4.077 50 0 DIAARN Cc1nc2cc(C)ccn2c1C(=O)CSc1ccc(F)cc1 ZINC000004003154 181061182 /nfs/dbraw/zinc/06/11/82/181061182.db2.gz DOGFNWZYHVVGNF-UHFFFAOYSA-N 0 0 314.385 4.065 50 0 DIAARN Cc1ccccc1-c1nnc(NC(=O)CCc2ccccc2)s1 ZINC000004087699 181071180 /nfs/dbraw/zinc/07/11/80/181071180.db2.gz FCCOLKZPWWBMSL-UHFFFAOYSA-N 0 0 323.421 4.085 50 0 DIAARN CCCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000004093674 181072705 /nfs/dbraw/zinc/07/27/05/181072705.db2.gz SMEQXNOFKQHDSK-UHFFFAOYSA-N 0 0 322.412 4.248 50 0 DIAARN CCCCOC(=O)CCCCCCCC(=O)OCCCC ZINC000004100226 181073669 /nfs/dbraw/zinc/07/36/69/181073669.db2.gz RISLXYINQFKFRL-UHFFFAOYSA-N 0 0 300.439 4.404 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2c1 ZINC000004070148 181068811 /nfs/dbraw/zinc/06/88/11/181068811.db2.gz VIKJCNJTYCYUOC-UHFFFAOYSA-N 0 0 308.406 4.427 50 0 DIAARN C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@H](CO)[C@@H]2CCc1ccoc1 ZINC000004073760 181069708 /nfs/dbraw/zinc/06/97/08/181069708.db2.gz XAXWAJGTWLGWSN-VYJAJWGXSA-N 0 0 320.473 4.036 50 0 biogenic DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073945 181069793 /nfs/dbraw/zinc/06/97/93/181069793.db2.gz QGKQXZFZOIQFBI-XSWYFRFISA-N 0 0 306.490 4.141 50 0 biogenic,in-man DIAARN S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccco1 ZINC000004112622 181074671 /nfs/dbraw/zinc/07/46/71/181074671.db2.gz BXADJNIIBGBHMZ-UHFFFAOYSA-N 0 0 315.442 4.050 50 0 DIAARN S=C(Nc1ccccc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000004116642 181075370 /nfs/dbraw/zinc/07/53/70/181075370.db2.gz IEVQFTOFSIJMIL-SFHVURJKSA-N 0 0 310.466 4.481 50 0 DIAARN COc1cc(OC)c([C@H]2C=C(C)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 ZINC000004114341 181075621 /nfs/dbraw/zinc/07/56/21/181075621.db2.gz ZMFODHOIRRPETD-ZNMIVQPWSA-N 0 0 302.414 4.418 50 0 DIAARN Cc1ccc(CSC2=NCCN2C(=O)c2cccc(C)c2)cc1 ZINC000004120352 181076015 /nfs/dbraw/zinc/07/60/15/181076015.db2.gz CGKGTSWVJIZNFV-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN Cc1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1 ZINC000004120179 181076162 /nfs/dbraw/zinc/07/61/62/181076162.db2.gz VUHJLWUYGPFNNA-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@](C)(O)C=C[C@]34C)[C@@H]1CC[C@@H]2O ZINC000004128725 181077310 /nfs/dbraw/zinc/07/73/10/181077310.db2.gz OETCOSLGEFSALY-DRRPUAHOSA-N 0 0 318.501 4.307 50 0 DIAARN CCc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000004179609 181082549 /nfs/dbraw/zinc/08/25/49/181082549.db2.gz BTSXIOCBBWGMIG-INIZCTEOSA-N 0 0 312.438 4.043 50 0 DIAARN CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000004166438 181081166 /nfs/dbraw/zinc/08/11/66/181081166.db2.gz KDPQTPZDVJHMET-XFKSJGNHSA-N 0 0 312.409 4.037 50 0 in-vitro DIAARN CCc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccco3)C2)cc1 ZINC000004306568 181095178 /nfs/dbraw/zinc/09/51/78/181095178.db2.gz FUINCXPYDQMIIR-KRWDZBQOSA-N 0 0 310.397 4.176 50 0 DIAARN CCOc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 ZINC000004271853 181090610 /nfs/dbraw/zinc/09/06/10/181090610.db2.gz WXZVEOMQTDKONI-UHFFFAOYSA-N 0 0 323.421 4.230 50 0 DIAARN COc1ccc(/C=C/c2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000004281393 181092098 /nfs/dbraw/zinc/09/20/98/181092098.db2.gz WRSFBACHUFKXLJ-YRNVUSSQSA-N 0 0 322.364 4.233 50 0 DIAARN O=C1Cc2ccc(F)cc2C[C@H]1C1=Cc2ccc(F)cc2CC1 ZINC000004321905 181097398 /nfs/dbraw/zinc/09/73/98/181097398.db2.gz BYJRDEVKOGEWIX-IBGZPJMESA-N 0 0 310.343 4.279 50 0 DIAARN Cc1cc2nc(NC(=O)c3ccccc3F)sc2c(C)c1 ZINC000004331323 181098818 /nfs/dbraw/zinc/09/88/18/181098818.db2.gz GTXJAAAYHYUFOP-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN Cc1nnc(SCc2ccccc2F)n1-c1ccc(C)cc1 ZINC000004354816 181102039 /nfs/dbraw/zinc/10/20/39/181102039.db2.gz BVCGYJLKODJBIL-UHFFFAOYSA-N 0 0 313.401 4.316 50 0 DIAARN CCc1ccc(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 ZINC000004435158 181109699 /nfs/dbraw/zinc/10/96/99/181109699.db2.gz WSOMNKCGDBGZLT-CYBMUJFWSA-N 0 0 322.360 4.006 50 0 DIAARN Cc1nc2cc(C)ccn2c1-c1csc(Nc2ccccn2)n1 ZINC000004370167 181103167 /nfs/dbraw/zinc/10/31/67/181103167.db2.gz OXAROPKNNZASRW-UHFFFAOYSA-N 0 0 321.409 4.213 50 0 DIAARN 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/nfs/dbraw/zinc/29/10/29/181291029.db2.gz ACWQKYNBVHNOAO-UHFFFAOYSA-N 0 0 313.426 4.491 50 0 DIAARN Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000005865937 181291335 /nfs/dbraw/zinc/29/13/35/181291335.db2.gz MYUCXFYBFDIXJB-INIZCTEOSA-N 0 0 319.404 4.404 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1C ZINC000005868899 181291832 /nfs/dbraw/zinc/29/18/32/181291832.db2.gz UTFWWIUGNWXJLO-CQSZACIVSA-N 0 0 317.816 4.213 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1ccc2ccccc2n1 ZINC000005876163 181292513 /nfs/dbraw/zinc/29/25/13/181292513.db2.gz ZALDTTHMRIZQAJ-UHFFFAOYSA-N 0 0 305.362 4.097 50 0 DIAARN Clc1ccc2[nH]c(SCCOc3ccccc3)nc2c1 ZINC000005888576 181293088 /nfs/dbraw/zinc/29/30/88/181293088.db2.gz XNKXRKJPWWCRPC-UHFFFAOYSA-N 0 0 304.802 4.387 50 0 DIAARN COc1ccccc1/C=C\C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000005895916 181293461 /nfs/dbraw/zinc/29/34/61/181293461.db2.gz SVFPOOZIQQKCKN-QQBSYFJQSA-N 0 0 321.420 4.115 50 0 DIAARN Cc1c(NC(=O)N2CC[C@H](c3ccccc3)C2)cccc1N(C)C ZINC000180147332 199123556 /nfs/dbraw/zinc/12/35/56/199123556.db2.gz XZKWRQZJBAEPIT-KRWDZBQOSA-N 0 0 323.440 4.082 50 0 DIAARN Cc1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1 ZINC000005937133 181297741 /nfs/dbraw/zinc/29/77/41/181297741.db2.gz NWFLEUKRCKWXQN-VNQPRFMTSA-N 0 0 305.487 4.336 50 0 DIAARN COc1csc(C(=O)N(C)c2c(Cl)cccc2Cl)c1 ZINC000089364945 192773874 /nfs/dbraw/zinc/77/38/74/192773874.db2.gz YDPGAIOENGHHGE-UHFFFAOYSA-N 0 0 316.209 4.340 50 0 DIAARN Cc1c(C(=O)NCCc2ccncc2C)oc2c1c(C)ccc2C ZINC000089626904 192829702 /nfs/dbraw/zinc/82/97/02/192829702.db2.gz KOSIXYRGCUMZDM-UHFFFAOYSA-N 0 0 322.408 4.034 50 0 DIAARN O=C(NCCSc1ccc(Cl)cc1)C1=C(Cl)CCC1 ZINC000089793774 192871059 /nfs/dbraw/zinc/87/10/59/192871059.db2.gz UXIMDHYVDJOILL-UHFFFAOYSA-N 0 0 316.253 4.225 50 0 DIAARN Cc1cc(C(=O)Nc2cccnc2-c2ccc(Cl)s2)on1 ZINC000187128137 200065717 /nfs/dbraw/zinc/06/57/17/200065717.db2.gz YVLNTSQZYVEZLD-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cc(C3CC3)on2)cc1 ZINC000239761307 202455057 /nfs/dbraw/zinc/45/50/57/202455057.db2.gz CJLSHOJEDPDYRJ-AEFFLSMTSA-N 0 0 324.424 4.269 50 0 DIAARN CCn1nc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C ZINC000005954441 181300544 /nfs/dbraw/zinc/30/05/44/181300544.db2.gz LJNVAMCVDXOACC-UHFFFAOYSA-N 0 0 315.461 4.065 50 0 DIAARN Cc1cc(Cl)ccc1OCc1nnc(-c2ccccc2)o1 ZINC000005960680 181301556 /nfs/dbraw/zinc/30/15/56/181301556.db2.gz WOSSMYHLWFQBPR-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN C[C@H](c1ccc(F)cc1)N1C(=S)N=NC1c1cccs1 ZINC000005999130 181304882 /nfs/dbraw/zinc/30/48/82/181304882.db2.gz BONCYRDOUOIJMP-SECBINFHSA-N 0 0 305.403 4.044 50 0 DIAARN CC[C@H](C)NC(=O)c1cccnc1Sc1ccccc1Cl ZINC000006085071 181311089 /nfs/dbraw/zinc/31/10/89/181311089.db2.gz PWHONYIRIVAKOT-NSHDSACASA-N 0 0 320.845 4.415 50 0 DIAARN CSc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1 ZINC000006085553 181311640 /nfs/dbraw/zinc/31/16/40/181311640.db2.gz LRANEEDYCQWLBN-UHFFFAOYSA-N 0 0 311.406 4.427 50 0 DIAARN Brc1ccc(OCCCCCCn2ccnc2)cc1 ZINC000006110405 181313295 /nfs/dbraw/zinc/31/32/95/181313295.db2.gz IRYGYHMJDFFKNF-UHFFFAOYSA-N 0 0 323.234 4.285 50 0 DIAARN c1ccc(Cn2c3ccccc3nc2NCc2ccccn2)cc1 ZINC000006110522 181313493 /nfs/dbraw/zinc/31/34/93/181313493.db2.gz BOWMCSHKWFSTMZ-UHFFFAOYSA-N 0 0 314.392 4.092 50 0 DIAARN CCOc1ccccc1OCC(=O)Nc1cccc2ccccc21 ZINC000006152823 181316915 /nfs/dbraw/zinc/31/69/15/181316915.db2.gz UUUYCMOGIKQRPL-UHFFFAOYSA-N 0 0 321.376 4.256 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1Br)c1cccs1 ZINC000006220421 181320418 /nfs/dbraw/zinc/32/04/18/181320418.db2.gz OYWFDBSOKNOZKF-SECBINFHSA-N 0 0 310.216 4.002 50 0 DIAARN CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000006226925 181320962 /nfs/dbraw/zinc/32/09/62/181320962.db2.gz CFLDDFPXAMUQSR-JYRVWZFOSA-N 0 0 319.769 4.266 50 0 DIAARN O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccoc1Cl ZINC000192324172 200853602 /nfs/dbraw/zinc/85/36/02/200853602.db2.gz HLJVUEAGCFORKQ-UHFFFAOYSA-N 0 0 322.151 4.024 50 0 DIAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccncc2)N3)C1 ZINC000006247070 181322715 /nfs/dbraw/zinc/32/27/15/181322715.db2.gz JOLZASFSZCJYLS-BMIGLBTASA-N 0 0 313.426 4.087 50 0 DIAARN Cc1sc(NC(=O)c2ccccc2)c(C(=O)OC(C)C)c1C ZINC000006254938 181323639 /nfs/dbraw/zinc/32/36/39/181323639.db2.gz OVIJIIOEJPKMCS-UHFFFAOYSA-N 0 0 317.410 4.182 50 0 DIAARN COc1cc(C)c(NC(=O)c2c(F)cccc2Cl)cc1OC ZINC000006259111 181323644 /nfs/dbraw/zinc/32/36/44/181323644.db2.gz WXZPKVFDRGMZIU-UHFFFAOYSA-N 0 0 323.751 4.057 50 0 DIAARN Cc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000006276202 181325444 /nfs/dbraw/zinc/32/54/44/181325444.db2.gz XDCTYLRSTAUCFK-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 DIAARN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000006287923 181326273 /nfs/dbraw/zinc/32/62/73/181326273.db2.gz LZNXPAQJKGFWEQ-JTQLQIEISA-N 0 0 311.278 4.336 50 0 DIAARN CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(O)cc1 ZINC000006356734 181333606 /nfs/dbraw/zinc/33/36/06/181333606.db2.gz ZHSLPLLHBMGXFG-HNENSFHCSA-N 0 0 310.422 4.483 50 0 DIAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 ZINC000006377736 181335841 /nfs/dbraw/zinc/33/58/41/181335841.db2.gz XKFOGBNRALNIQF-UHFFFAOYSA-N 0 0 315.241 4.165 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)OCc1c(F)cccc1Cl ZINC000006384156 181336572 /nfs/dbraw/zinc/33/65/72/181336572.db2.gz FPXITHQOPIOCQX-UHFFFAOYSA-N 0 0 317.747 4.246 50 0 DIAARN Cc1ccc(C)c(OCCC(=O)NCc2ccccc2Cl)c1 ZINC000006377465 181335884 /nfs/dbraw/zinc/33/58/84/181335884.db2.gz OIZMLEQSELIFII-UHFFFAOYSA-N 0 0 317.816 4.042 50 0 DIAARN COc1ccc(C)cc1NC(=O)CCOc1cc(C)ccc1C ZINC000006395776 181337464 /nfs/dbraw/zinc/33/74/64/181337464.db2.gz LBFGLROYADCPBI-UHFFFAOYSA-N 0 0 313.397 4.028 50 0 DIAARN O=C(/C=C\c1cccc(C(F)(F)F)c1)NCc1ccccc1 ZINC000006451798 181342168 /nfs/dbraw/zinc/34/21/68/181342168.db2.gz LCWPOWFEAIIOBY-KTKRTIGZSA-N 0 0 305.299 4.035 50 0 DIAARN COc1ccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000006478555 181344220 /nfs/dbraw/zinc/34/42/20/181344220.db2.gz HACVHECYKCWWCZ-UHFFFAOYSA-N 0 0 312.394 4.174 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 ZINC000006489600 181345225 /nfs/dbraw/zinc/34/52/25/181345225.db2.gz VVGPWOLVWHUSDZ-LBPRGKRZSA-N 0 0 317.410 4.057 50 0 DIAARN Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000006510012 181347863 /nfs/dbraw/zinc/34/78/63/181347863.db2.gz CFHSXCMMZVGKDI-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN Cc1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000006510025 181348048 /nfs/dbraw/zinc/34/80/48/181348048.db2.gz NTMRNFMUZQBTNN-UHFFFAOYSA-N 0 0 308.406 4.300 50 0 DIAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000006537392 181352065 /nfs/dbraw/zinc/35/20/65/181352065.db2.gz HGBUQGRABBQXNZ-UHSVVUDUSA-N 0 0 301.405 4.219 50 0 DIAARN O=c1c(-c2ccccc2)c(O)c2c(n1-c1ccccc1)CCCC2 ZINC000006557694 181355285 /nfs/dbraw/zinc/35/52/85/181355285.db2.gz NQTBPAHDTQHICD-UHFFFAOYSA-N 0 0 317.388 4.089 50 0 DIAARN COc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1 ZINC000006587605 181357821 /nfs/dbraw/zinc/35/78/21/181357821.db2.gz WBIFEFSOLIODTR-UHFFFAOYSA-N 0 0 304.802 4.289 50 0 DIAARN Clc1snnc1COc1ccc(-c2ccccc2)cc1 ZINC000006590136 181358386 /nfs/dbraw/zinc/35/83/86/181358386.db2.gz CZITXQVNXKVRPM-UHFFFAOYSA-N 0 0 302.786 4.438 50 0 DIAARN Cc1sc2nc(C)nc(SCC(=O)C(C)(C)C)c2c1C ZINC000006609614 181361019 /nfs/dbraw/zinc/36/10/19/181361019.db2.gz NEWMCNBZIWUHGT-UHFFFAOYSA-N 0 0 308.472 4.324 50 0 DIAARN CN(Cc1cccs1)c1ncnc2sc3c(c21)CCCC3 ZINC000006602744 181360173 /nfs/dbraw/zinc/36/01/73/181360173.db2.gz SVXVZVWLNKEWFL-UHFFFAOYSA-N 0 0 315.467 4.268 50 0 DIAARN Cc1cc2oc(=O)cc(-c3oc4ccccc4c3N)c2cc1C ZINC000006624177 181362414 /nfs/dbraw/zinc/36/24/14/181362414.db2.gz PMGPGCPTCUXOMX-UHFFFAOYSA-N 0 0 305.333 4.405 50 0 biogenic DIAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(F)ccc1F ZINC000006627855 181363157 /nfs/dbraw/zinc/36/31/57/181363157.db2.gz RMRXJZMWQDTNGD-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000006647453 181364720 /nfs/dbraw/zinc/36/47/20/181364720.db2.gz GLBODGGTKLKNLQ-NSHDSACASA-N 0 0 303.402 4.257 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000006651718 181364914 /nfs/dbraw/zinc/36/49/14/181364914.db2.gz NBDGPSQCPLEUES-IHWZXDPASA-N 0 0 303.471 4.391 50 0 DIAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000006652267 181365879 /nfs/dbraw/zinc/36/58/79/181365879.db2.gz RVYXROHLOBFWSW-LLVKDONJSA-N 0 0 323.314 4.205 50 0 DIAARN COc1cc(C)c2c(c1)CC[C@H]1[C@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000248330726 202732326 /nfs/dbraw/zinc/73/23/26/202732326.db2.gz GEIYLFMTMKRVAC-LYYGHALDSA-N 0 0 300.442 4.221 50 0 DIAARN COc1ccc(SCC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000006650795 181365417 /nfs/dbraw/zinc/36/54/17/181365417.db2.gz GNYVHFZNUWTNFF-UHFFFAOYSA-N 0 0 315.438 4.423 50 0 DIAARN COc1ccc(C(F)(F)F)cc1NC(=O)C1CCCCC1 ZINC000006700786 181373064 /nfs/dbraw/zinc/37/30/64/181373064.db2.gz KKMMWFGTTGKULH-UHFFFAOYSA-N 0 0 301.308 4.233 50 0 DIAARN O=C(Nc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000006726442 181377995 /nfs/dbraw/zinc/37/79/95/181377995.db2.gz XMIGJWDDSONOTI-UHFFFAOYSA-N 0 0 312.388 4.312 50 0 DIAARN CCc1sc(C(=O)N2CCCCCC2)cc1Br ZINC000006708163 181375697 /nfs/dbraw/zinc/37/56/97/181375697.db2.gz LJBAHBNKOOPUMH-UHFFFAOYSA-N 0 0 316.264 4.089 50 0 DIAARN CCCCCNC(=O)c1cc2c(cccc2OCC)n1CCC ZINC000006713110 181375710 /nfs/dbraw/zinc/37/57/10/181375710.db2.gz ZFIYAIJCJPPMSB-UHFFFAOYSA-N 0 0 316.445 4.370 50 0 DIAARN CCc1ccccc1NC(=O)Nc1ccc(Br)cn1 ZINC000006715469 181376036 /nfs/dbraw/zinc/37/60/36/181376036.db2.gz TXEIFGDUFYAKIW-UHFFFAOYSA-N 0 0 320.190 4.051 50 0 DIAARN O=C(c1ccoc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206880025 201432744 /nfs/dbraw/zinc/43/27/44/201432744.db2.gz HYWJEOYHPFKWST-AWEZNQCLSA-N 0 0 303.789 4.343 50 0 DIAARN CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2F)cc1 ZINC000006726507 181377955 /nfs/dbraw/zinc/37/79/55/181377955.db2.gz CORRFLZIZILCFN-GFCCVEGCSA-N 0 0 302.349 4.107 50 0 DIAARN COc1ccc(NC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000006725336 181377198 /nfs/dbraw/zinc/37/71/98/181377198.db2.gz RXQBXYRXWWERSY-UHFFFAOYSA-N 0 0 306.749 4.001 50 0 DIAARN Cc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(C)ccc2O3)c1 ZINC000006748574 181382310 /nfs/dbraw/zinc/38/23/10/181382310.db2.gz PYKIDALSCZKCNF-UHFFFAOYSA-N 0 0 304.349 4.163 50 0 DIAARN O=c1[nH]c(-c2cccc(Cl)c2)nc2c1Cc1ccccc1O2 ZINC000006748402 181382438 /nfs/dbraw/zinc/38/24/38/181382438.db2.gz PQLMYUFUEIVUKX-UHFFFAOYSA-N 0 0 310.740 4.199 50 0 DIAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)N1CCCCC1 ZINC000006750693 181383308 /nfs/dbraw/zinc/38/33/08/181383308.db2.gz VFCPZJXRQSPECU-UHFFFAOYSA-N 0 0 324.449 4.382 50 0 DIAARN Cc1cccc(Nc2nc3ccc(Cl)cc3n3cnnc23)c1C ZINC000006752032 181383342 /nfs/dbraw/zinc/38/33/42/181383342.db2.gz GQJHNPCPKSBFTB-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN Cc1[nH]c2ccc(C(=O)NCc3cccc(Cl)c3)cc2c1C ZINC000006758439 181384096 /nfs/dbraw/zinc/38/40/96/181384096.db2.gz MJIODMJALXSWQW-UHFFFAOYSA-N 0 0 312.800 4.368 50 0 DIAARN CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)no1 ZINC000006761907 181384660 /nfs/dbraw/zinc/38/46/60/181384660.db2.gz WMBBHEJDRPJERU-STQMWFEESA-N 0 0 318.804 4.368 50 0 DIAARN CCCNC(=O)c1c(C)c2c(n1Cc1ccc(C)cc1)CCCC2 ZINC000006772968 181385950 /nfs/dbraw/zinc/38/59/50/181385950.db2.gz UQAZGTUHPMTQKY-UHFFFAOYSA-N 0 0 324.468 4.172 50 0 DIAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CCCCC1 ZINC000006784783 181387421 /nfs/dbraw/zinc/38/74/21/181387421.db2.gz BVKIGIHIXLLBMF-UHFFFAOYSA-N 0 0 323.502 4.151 50 0 DIAARN c1nc2sc3c(c2c(SC[C@@H]2CCCCO2)n1)CCCC3 ZINC000006787348 181388568 /nfs/dbraw/zinc/38/85/68/181388568.db2.gz ZWLWRNNGIUJZDY-NSHDSACASA-N 0 0 320.483 4.231 50 0 DIAARN CCc1nnc2c(Nc3cccc(Cl)c3)nc3ccccc3n12 ZINC000006792088 181389769 /nfs/dbraw/zinc/38/97/69/181389769.db2.gz DZDZVBZSRLLLGN-UHFFFAOYSA-N 0 0 323.787 4.237 50 0 DIAARN COc1ccc(Nc2cc(Nc3ccc(C)cc3)ncn2)cc1 ZINC000006793719 181390285 /nfs/dbraw/zinc/39/02/85/181390285.db2.gz IOLHAZDRFIFUEE-UHFFFAOYSA-N 0 0 306.369 4.281 50 0 DIAARN COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 ZINC000006809768 181392696 /nfs/dbraw/zinc/39/26/96/181392696.db2.gz VBVKOMNVOZLDJF-UHFFFAOYSA-N 0 0 309.365 4.239 50 0 DIAARN CCc1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)cc1 ZINC000006811290 181393042 /nfs/dbraw/zinc/39/30/42/181393042.db2.gz KHDIQQYZDPKQAH-UHFFFAOYSA-N 0 0 321.376 4.170 50 0 DIAARN Cc1ccc2c(=O)cc(C(=O)Nc3c(C)cccc3C)oc2c1C ZINC000006811358 181393125 /nfs/dbraw/zinc/39/31/25/181393125.db2.gz CCPZEPYBJNBWJT-UHFFFAOYSA-N 0 0 321.376 4.279 50 0 DIAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000006810677 181393507 /nfs/dbraw/zinc/39/35/07/181393507.db2.gz WXPRRNXXWRTPOH-UHFFFAOYSA-N 0 0 311.406 4.492 50 0 DIAARN CCc1ccc2oc(C(=O)Nc3ccc(C)cc3C)cc(=O)c2c1 ZINC000006811273 181393704 /nfs/dbraw/zinc/39/37/04/181393704.db2.gz OIRCUCLZBPXSPK-UHFFFAOYSA-N 0 0 321.376 4.225 50 0 DIAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NC1CCC(C)CC1 ZINC000006818467 181394177 /nfs/dbraw/zinc/39/41/77/181394177.db2.gz FFDNVNNZGIJZAC-UHFFFAOYSA-N 0 0 314.404 4.438 50 0 DIAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000006818472 181395070 /nfs/dbraw/zinc/39/50/70/181395070.db2.gz NQZYDWWBAABISO-SJCJKPOMSA-N 0 0 314.404 4.438 50 0 DIAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000006818474 181395176 /nfs/dbraw/zinc/39/51/76/181395176.db2.gz NQZYDWWBAABISO-PXAZEXFGSA-N 0 0 314.404 4.438 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc12 ZINC000006878210 181399771 /nfs/dbraw/zinc/39/97/71/181399771.db2.gz HUVQZHKGTFSCSA-CQSZACIVSA-N 0 0 320.436 4.329 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccccc3C)cc12 ZINC000006912319 181405170 /nfs/dbraw/zinc/40/51/70/181405170.db2.gz ZUCBDEBEMIMEQZ-UHFFFAOYSA-N 0 0 320.436 4.076 50 0 aggregator DIAARN CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2ccc(O)cc2)C1 ZINC000091664124 193086746 /nfs/dbraw/zinc/08/67/46/193086746.db2.gz FLVQLHVVCCWPFZ-IBGZPJMESA-N 0 0 301.430 4.267 50 0 DIAARN COc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1 ZINC000091692989 193093173 /nfs/dbraw/zinc/09/31/73/193093173.db2.gz XKNXVRHDVZGFOC-UHFFFAOYSA-N 0 0 323.030 4.495 50 0 DIAARN Cc1c(C(=O)N(C)C2CCSCC2)[nH]c2c1c(C)ccc2C ZINC000091713426 193096054 /nfs/dbraw/zinc/09/60/54/193096054.db2.gz 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NWQCGPRJLYJRBC-AWEZNQCLSA-N 0 0 307.368 4.399 50 0 DIAARN Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1Cl ZINC000013001174 181821246 /nfs/dbraw/zinc/82/12/46/181821246.db2.gz OKLVIJYXQSIAOG-KRWDZBQOSA-N 0 0 314.816 4.080 50 0 DIAARN O[C@H](C1=C/C(=C/c2ccncc2)c2ccccc21)c1ccncc1 ZINC000013099040 181827596 /nfs/dbraw/zinc/82/75/96/181827596.db2.gz JTMFJLXJCCVSIM-YULVEUEDSA-N 0 0 312.372 4.148 50 0 in-vitro DIAARN CC(C)(C)n1c(-c2ccccc2)cs/c1=N\Cc1cccnc1 ZINC000013285711 181841479 /nfs/dbraw/zinc/84/14/79/181841479.db2.gz JDVYNFFOODINAB-UZYVYHOESA-N 0 0 323.465 4.468 50 0 DIAARN CC(C)(C)n1c(-c2ccccc2)cs/c1=N\Cc1ccncc1 ZINC000013285709 181841548 /nfs/dbraw/zinc/84/15/48/181841548.db2.gz HVYSXVMZOFOGLT-UZYVYHOESA-N 0 0 323.465 4.468 50 0 DIAARN Cc1ccc(NC(=O)NCCCCc2ccccc2)cc1F ZINC000013320155 181842870 /nfs/dbraw/zinc/84/28/70/181842870.db2.gz WYELROXDKNNSSJ-UHFFFAOYSA-N 0 0 300.377 4.279 50 0 DIAARN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCCCC1 ZINC000013331690 181844820 /nfs/dbraw/zinc/84/48/20/181844820.db2.gz DRTAMJJPKXYLAZ-ZDUSSCGKSA-N 0 0 316.228 4.163 50 0 DIAARN CCC[C@@H](NC(=O)c1cc(C)on1)C12CC3CC(CC(C3)C1)C2 ZINC000013330758 181844979 /nfs/dbraw/zinc/84/49/79/181844979.db2.gz NCNUSPROLXGFRE-MUGCCGGLSA-N 0 0 316.445 4.098 50 0 DIAARN Fc1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 ZINC000013682950 181878580 /nfs/dbraw/zinc/87/85/80/181878580.db2.gz QXMBXJKZICZBOQ-UHFFFAOYSA-N 0 0 324.233 4.441 50 0 DIAARN CC(=O)c1ccc(NC(=S)Nc2cccc3cnccc32)cc1 ZINC000013687172 181879686 /nfs/dbraw/zinc/87/96/86/181879686.db2.gz FQUZWLMWYDRTAK-UHFFFAOYSA-N 0 0 321.405 4.246 50 0 DIAARN COC(=O)/C(=C(\F)Sc1c[nH]c2ccccc12)C(F)(F)F ZINC000013712796 181882693 /nfs/dbraw/zinc/88/26/93/181882693.db2.gz LWPOYWUMTSKIMZ-KHPPLWFESA-N 0 0 319.279 4.176 50 0 DIAARN C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccccc1Br ZINC000013746100 181888866 /nfs/dbraw/zinc/88/88/66/181888866.db2.gz WQDDVCOCULEYHJ-QWRGUYRKSA-N 0 0 311.223 4.244 50 0 DIAARN Clc1cnc2[nH]c(SC/C=C/c3ccccc3)nc2c1 ZINC000013865210 181908216 /nfs/dbraw/zinc/90/82/16/181908216.db2.gz ZTBKYDIQFSHMOR-QPJJXVBHSA-N 0 0 301.802 4.417 50 0 DIAARN CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000014016853 181920465 /nfs/dbraw/zinc/92/04/65/181920465.db2.gz ZXISJEYPFXCNAE-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000014246137 181942304 /nfs/dbraw/zinc/94/23/04/181942304.db2.gz VYFBNKPFPPRDAH-GFCCVEGCSA-N 0 0 303.789 4.148 50 0 DIAARN Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2C)o1 ZINC000014386450 181950082 /nfs/dbraw/zinc/95/00/82/181950082.db2.gz RXHWJRAHRDBRED-CSKARUKUSA-N 0 0 310.397 4.149 50 0 DIAARN Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)n1 ZINC000014683641 181965561 /nfs/dbraw/zinc/96/55/61/181965561.db2.gz HNQVHJPHHGFIAX-UHFFFAOYSA-N 0 0 306.365 4.221 50 0 DIAARN C[C@@H]1CCN(C(=O)c2cccc(F)c2)c2ccccc2S1 ZINC000014700624 181966348 /nfs/dbraw/zinc/96/63/48/181966348.db2.gz UUPIFJTWUSINSQ-GFCCVEGCSA-N 0 0 301.386 4.357 50 0 DIAARN CSc1ccc(C[C@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000015017902 181983951 /nfs/dbraw/zinc/98/39/51/181983951.db2.gz FEUORKGSRAKDTF-CQSZACIVSA-N 0 0 303.814 4.340 50 0 DIAARN Cc1ccc(Oc2ccc(I)cc2)cc1 ZINC000015020594 181983985 /nfs/dbraw/zinc/98/39/85/181983985.db2.gz VLFXLXIIUUXNFE-UHFFFAOYSA-N 0 0 310.134 4.392 50 0 DIAARN COc1ccc(C(C)=O)cc1CN1c2ccccc2CC[C@H]1C ZINC000015303995 181996386 /nfs/dbraw/zinc/99/63/86/181996386.db2.gz UOJCFKCHWCQWDL-CQSZACIVSA-N 0 0 309.409 4.239 50 0 DIAARN COc1ccc(C(C)=O)cc1CN1c2ccccc2CC[C@@H]1C ZINC000015303992 181995138 /nfs/dbraw/zinc/99/51/38/181995138.db2.gz UOJCFKCHWCQWDL-AWEZNQCLSA-N 0 0 309.409 4.239 50 0 DIAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1 ZINC000015432222 182001676 /nfs/dbraw/zinc/00/16/76/182001676.db2.gz WHAVDNJDBYNYFI-UHFFFAOYSA-N 0 0 306.152 4.122 50 0 DIAARN Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000015440982 182002233 /nfs/dbraw/zinc/00/22/33/182002233.db2.gz ZMMDHGFOYNDDDR-HNNXBMFYSA-N 0 0 314.404 4.074 50 0 DIAARN FC(F)(F)c1ccc2c(Cl)ncc(Br)c2n1 ZINC000015442498 182002366 /nfs/dbraw/zinc/00/23/66/182002366.db2.gz VMXJJEPJVHNBJF-UHFFFAOYSA-N 0 0 311.488 4.065 50 0 DIAARN O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccccc2O)o1 ZINC000015634669 182009998 /nfs/dbraw/zinc/00/99/98/182009998.db2.gz WDSDNPYJQKWLBD-PTNGSMBKSA-N 0 0 303.317 4.145 50 0 DIAARN CCC(=O)N(C)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000015670880 182010932 /nfs/dbraw/zinc/01/09/32/182010932.db2.gz WFTWVIYXFLWGOH-HXUWFJFHSA-N 0 0 306.409 4.434 50 0 DIAARN COc1ccccc1-c1cc2nc(C)cc(NCCC(C)C)n2n1 ZINC000015670926 182011344 /nfs/dbraw/zinc/01/13/44/182011344.db2.gz LJGHLVIKDHDKCW-UHFFFAOYSA-N 0 0 324.428 4.171 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc2cccc3c2n1CCS3 ZINC000015682023 182012630 /nfs/dbraw/zinc/01/26/30/182012630.db2.gz MICPPRJCTUEFMI-GXTWGEPZSA-N 0 0 314.454 4.056 50 0 DIAARN Cc1ccc(SCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000015693863 182013145 /nfs/dbraw/zinc/01/31/45/182013145.db2.gz IKLPUGDXHAQHNE-GFCCVEGCSA-N 0 0 321.392 4.243 50 0 DIAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000015741589 182014928 /nfs/dbraw/zinc/01/49/28/182014928.db2.gz YIPDPVPJASPFCM-ZDUSSCGKSA-N 0 0 319.360 4.060 50 0 DIAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC)c2c1 ZINC000015828757 182018989 /nfs/dbraw/zinc/01/89/89/182018989.db2.gz QEEFTSGVHSXSGD-UHFFFAOYSA-N 0 0 321.376 4.477 50 0 DIAARN Cc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000015832457 182019683 /nfs/dbraw/zinc/01/96/83/182019683.db2.gz ZUFGOGHKEFWBPD-UHFFFAOYSA-N 0 0 322.433 4.357 50 0 DIAARN Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccccc3F)c2n1 ZINC000015835236 182019868 /nfs/dbraw/zinc/01/98/68/182019868.db2.gz ZTIWDPRFQXBKHN-ZDUSSCGKSA-N 0 0 324.355 4.088 50 0 DIAARN Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)c2n1 ZINC000015835244 182019943 /nfs/dbraw/zinc/01/99/43/182019943.db2.gz FBZPVCOFTAQRLK-ZDUSSCGKSA-N 0 0 324.355 4.088 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 ZINC000015835849 182020152 /nfs/dbraw/zinc/02/01/52/182020152.db2.gz ZMLJZTFVHGRRHX-AWEZNQCLSA-N 0 0 305.830 4.308 50 0 DIAARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc3cccnc32)c1C ZINC000015835436 182020290 /nfs/dbraw/zinc/02/02/90/182020290.db2.gz QSSFHLGYBULGQY-OAHLLOKOSA-N 0 0 320.392 4.258 50 0 DIAARN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc3cccnc32)c1C ZINC000015835438 182020427 /nfs/dbraw/zinc/02/04/27/182020427.db2.gz QSSFHLGYBULGQY-HNNXBMFYSA-N 0 0 320.392 4.258 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1c1cccs1 ZINC000015835671 182020734 /nfs/dbraw/zinc/02/07/34/182020734.db2.gz RKNQQYAFDHCYFV-CQSZACIVSA-N 0 0 323.820 4.447 50 0 DIAARN Cc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1 ZINC000015839666 182021175 /nfs/dbraw/zinc/02/11/75/182021175.db2.gz JGUPUNMFAXSXJZ-HXUWFJFHSA-N 0 0 316.404 4.218 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)cc1 ZINC000015839667 182021208 /nfs/dbraw/zinc/02/12/08/182021208.db2.gz JGUPUNMFAXSXJZ-FQEVSTJZSA-N 0 0 316.404 4.218 50 0 DIAARN Cc1cccc2cc3c(nc12)N(C(=O)Nc1ccccc1)CC3 ZINC000015842043 182021515 /nfs/dbraw/zinc/02/15/15/182021515.db2.gz AEKVKZSJMWVJMO-UHFFFAOYSA-N 0 0 303.365 4.138 50 0 DIAARN CCOc1ccc(NC(=O)c2ccccc2F)c2cccnc12 ZINC000015840845 182021808 /nfs/dbraw/zinc/02/18/08/182021808.db2.gz IZFIXGGRXXHXOA-UHFFFAOYSA-N 0 0 310.328 4.025 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000016046548 182030628 /nfs/dbraw/zinc/03/06/28/182030628.db2.gz MYPHVPDNCQKJGM-ZDUSSCGKSA-N 0 0 320.392 4.294 50 0 DIAARN CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000015933430 182025376 /nfs/dbraw/zinc/02/53/76/182025376.db2.gz VOPKJQDDXYTLAC-LLVKDONJSA-N 0 0 305.447 4.398 50 0 DIAARN CCc1nc2cc(Cc3ccc4[nH]c(CC)nc4c3)ccc2[nH]1 ZINC000015952116 182025726 /nfs/dbraw/zinc/02/57/26/182025726.db2.gz VMYLQDPOASLVBL-UHFFFAOYSA-N 0 0 304.397 4.155 50 0 DIAARN CCCNC(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000015951943 182025999 /nfs/dbraw/zinc/02/59/99/182025999.db2.gz VWULJEIGBKBLQF-UHFFFAOYSA-N 0 0 309.365 4.152 50 0 DIAARN O=C(Nc1cc(F)ccc1F)C1=Cc2cc(Cl)ccc2OC1 ZINC000016182309 182035754 /nfs/dbraw/zinc/03/57/54/182035754.db2.gz PPAPHWCNLKOWAZ-UHFFFAOYSA-N 0 0 321.710 4.033 50 0 DIAARN CCc1nnc2c3ccccc3nc(Nc3ccc(C)c(C)c3)n12 ZINC000016162619 182036070 /nfs/dbraw/zinc/03/60/70/182036070.db2.gz JXECALVYEAXAJD-UHFFFAOYSA-N 0 0 317.396 4.200 50 0 DIAARN Cc1nnc2c3ccccc3nc(Nc3cccc(Cl)c3C)n12 ZINC000016250031 182038333 /nfs/dbraw/zinc/03/83/33/182038333.db2.gz IRJNYCDHPLOAQA-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN COc1ccc2c(c1C)CCC/C2=C\CC1(C)C(=O)CCC1=O ZINC000016249931 182038813 /nfs/dbraw/zinc/03/88/13/182038813.db2.gz ULEYELVYYJFQIY-SDNWHVSQSA-N 0 0 312.409 4.052 50 0 DIAARN Cc1ccc(NC(=O)NCCc2c[nH]c3ccc(C)cc23)cc1 ZINC000016293092 182039376 /nfs/dbraw/zinc/03/93/76/182039376.db2.gz XFTHAPQDWUFLCD-UHFFFAOYSA-N 0 0 307.397 4.149 50 0 DIAARN COc1ccc(C(C)=O)cc1CN1CCc2sccc2[C@H]1C ZINC000016420669 182044154 /nfs/dbraw/zinc/04/41/54/182044154.db2.gz JQRRPZJXPQPUJH-GFCCVEGCSA-N 0 0 315.438 4.079 50 0 DIAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C ZINC000016468834 182045773 /nfs/dbraw/zinc/04/57/73/182045773.db2.gz DZGXTFBGNSHRAT-UONOGXRCSA-N 0 0 309.356 4.465 50 0 DIAARN Cc1cc(F)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000016469472 182045813 /nfs/dbraw/zinc/04/58/13/182045813.db2.gz BRWOVBCEBKRYKB-UHFFFAOYSA-N 0 0 311.278 4.334 50 0 DIAARN COc1ccc(Br)c(C(=O)Nc2cccc(C)c2)c1 ZINC000016503915 182047236 /nfs/dbraw/zinc/04/72/36/182047236.db2.gz GDRQTYNGEJAPPW-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN O=C(Nc1ccncc1)c1sc2cc(F)ccc2c1Cl ZINC000016580821 182051212 /nfs/dbraw/zinc/05/12/12/182051212.db2.gz KHYMGJKOOXXWJK-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000016603202 182052238 /nfs/dbraw/zinc/05/22/38/182052238.db2.gz PJDLUEWYXBQHPP-ZDUSSCGKSA-N 0 0 316.401 4.077 50 0 DIAARN Cc1scc(C(=O)NCc2cccnc2)c1-c1ccccc1 ZINC000016605549 182052910 /nfs/dbraw/zinc/05/29/10/182052910.db2.gz TVFJAWRGPBXGNT-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN Clc1ccc(-c2cc(-c3nc(-c4ccccc4)no3)n[nH]2)cc1 ZINC000016846803 182061600 /nfs/dbraw/zinc/06/16/00/182061600.db2.gz BQZDULRMBOBERL-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1C ZINC000016648914 182055521 /nfs/dbraw/zinc/05/55/21/182055521.db2.gz XSADMHYNTQACAU-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CCC[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000016649667 182055869 /nfs/dbraw/zinc/05/58/69/182055869.db2.gz KRMXNOGMYIMLED-OAHLLOKOSA-N 0 0 324.424 4.166 50 0 DIAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1c(C)cccc1C ZINC000016650228 182055996 /nfs/dbraw/zinc/05/59/96/182055996.db2.gz MAKBFXZMDDDTEC-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CCC[C@H](C)NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000016649669 182056231 /nfs/dbraw/zinc/05/62/31/182056231.db2.gz KRMXNOGMYIMLED-HNNXBMFYSA-N 0 0 324.424 4.166 50 0 DIAARN CC[C@H](C)[C@H](C(=O)NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000016694496 182058010 /nfs/dbraw/zinc/05/80/10/182058010.db2.gz WIFHAFODCFZSSN-LIRRHRJNSA-N 0 0 321.424 4.009 50 0 DIAARN COc1ccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2)cc1 ZINC000016689863 182058026 /nfs/dbraw/zinc/05/80/26/182058026.db2.gz GLCLHPSNIKIGNE-UHFFFAOYSA-N 0 0 323.396 4.234 50 0 DIAARN S=C(Nc1ccccc1)N(Cc1ccccc1)c1ccccn1 ZINC000016739885 182059536 /nfs/dbraw/zinc/05/95/36/182059536.db2.gz IGCOPWNVIOJWHX-UHFFFAOYSA-N 0 0 319.433 4.485 50 0 DIAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(CC)cc2)n1 ZINC000016752769 182060267 /nfs/dbraw/zinc/06/02/67/182060267.db2.gz YFTKRKFAQMFXLL-UHFFFAOYSA-N 0 0 321.833 4.057 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1c(N)sc2c1CCC2 ZINC000017031452 182069051 /nfs/dbraw/zinc/06/90/51/182069051.db2.gz CGBLOGMBOJEAJT-UHFFFAOYSA-N 0 0 306.818 4.033 50 0 DIAARN CCn1c(=S)[nH]nc1C(C)(C)Oc1ccc(Cl)c(C)c1 ZINC000017032394 182069938 /nfs/dbraw/zinc/06/99/38/182069938.db2.gz WBNDQPZURAKUCH-UHFFFAOYSA-N 0 0 311.838 4.237 50 0 DIAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)cc1 ZINC000017146011 182077284 /nfs/dbraw/zinc/07/72/84/182077284.db2.gz GSYGAUONWSKCRR-UHFFFAOYSA-N 0 0 324.409 4.466 50 0 DIAARN COc1ccc(C)cc1NC(=O)Nc1cc(Cl)ccc1OC ZINC000017055541 182072686 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182096518 /nfs/dbraw/zinc/09/65/18/182096518.db2.gz ZLTDOFMGYDLIBX-GOSISDBHSA-N 0 0 310.397 4.373 50 0 DIAARN Cc1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000018177699 182096890 /nfs/dbraw/zinc/09/68/90/182096890.db2.gz DIRNXXARYWYQNV-UHFFFAOYSA-N 0 0 308.303 4.336 50 0 DIAARN CC(C)(C)c1cc(=O)[nH]c(SCc2ccccc2Cl)n1 ZINC000018182719 182097439 /nfs/dbraw/zinc/09/74/39/182097439.db2.gz AJQGHEHISXTPNJ-UHFFFAOYSA-N 0 0 308.834 4.013 50 0 DIAARN Cc1cc(C)c2c(c1)Cc1c3ccccc3ccc1S2(=O)=O ZINC000018194658 182097868 /nfs/dbraw/zinc/09/78/68/182097868.db2.gz IPADWAHHMSMCDA-UHFFFAOYSA-N 0 0 308.402 4.194 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCCO2 ZINC000019174668 182106738 /nfs/dbraw/zinc/10/67/38/182106738.db2.gz DEFWQPJXQCQZIM-UHFFFAOYSA-N 0 0 317.772 4.062 50 0 DIAARN CCCCCCC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000019314275 182114379 /nfs/dbraw/zinc/11/43/79/182114379.db2.gz ORLARZUHOHSRIB-UHFFFAOYSA-N 0 0 311.429 4.136 50 0 DIAARN CCn1c(C)c(C2N3CC4(C)CN2CC(C)(C3)C4)c2ccccc21 ZINC000019318815 182114827 /nfs/dbraw/zinc/11/48/27/182114827.db2.gz NOISBVYDCDXEAV-UHFFFAOYSA-N 0 0 323.484 4.016 50 0 DIAARN CC(C)c1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000019601076 182133109 /nfs/dbraw/zinc/13/31/09/182133109.db2.gz PXQYIGUQYBXAOT-UHFFFAOYSA-N 0 0 319.351 4.341 50 0 DIAARN CCCC[C@H](Nc1nccc(-c2ccccn2)n1)c1cccnc1 ZINC000097527939 193730750 /nfs/dbraw/zinc/73/07/50/193730750.db2.gz JIBMVAOWQFJUOZ-INIZCTEOSA-N 0 0 319.412 4.277 50 0 DIAARN CCCCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736615 182140530 /nfs/dbraw/zinc/14/05/30/182140530.db2.gz KPKLSYFIVMTCST-UHFFFAOYSA-N 0 0 316.376 4.229 50 0 DIAARN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000019736416 182140678 /nfs/dbraw/zinc/14/06/78/182140678.db2.gz XGPKDMSGULLLOF-CQSZACIVSA-N 0 0 312.413 4.107 50 0 DIAARN CN(C(=O)C1=Cc2cc(Cl)ccc2OC=C1)c1ccccc1 ZINC000019809869 182152590 /nfs/dbraw/zinc/15/25/90/182152590.db2.gz JTUSAHDIOZRELY-UHFFFAOYSA-N 0 0 311.768 4.293 50 0 DIAARN COc1ccc2c(c1)C=C(C(=O)Nc1cccc(C)c1C)C=CO2 ZINC000019809959 182152712 /nfs/dbraw/zinc/15/27/12/182152712.db2.gz HRAMXYCREXHBQX-UHFFFAOYSA-N 0 0 321.376 4.240 50 0 DIAARN O=C1CS[C@H](c2ccccc2)N1c1ccc(C(F)(F)F)cc1 ZINC000019927051 182165049 /nfs/dbraw/zinc/16/50/49/182165049.db2.gz XIHWMJZGARGDII-OAHLLOKOSA-N 0 0 323.339 4.484 50 0 DIAARN Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2cccc(Cl)c2)s1 ZINC000019927565 182165119 /nfs/dbraw/zinc/16/51/19/182165119.db2.gz PFXYOOGPKLQLML-RNCFNFMXSA-N 0 0 324.858 4.272 50 0 DIAARN CCC(CC)n1[nH]c(C)c2nc([C@@H]3CCOC(C)(C)C3)nc1-2 ZINC000019882885 182159967 /nfs/dbraw/zinc/15/99/67/182159967.db2.gz NGNZFFXGCLLDRW-GFCCVEGCSA-N 0 0 304.438 4.102 50 0 DIAARN CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000019881199 182160150 /nfs/dbraw/zinc/16/01/50/182160150.db2.gz ZVZVEHMDFMEUMI-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN CC[C@@H](C)NC(=O)CCc1sc(C)nc1-c1cccs1 ZINC000019933145 182167022 /nfs/dbraw/zinc/16/70/22/182167022.db2.gz VNLFTTFCKZQCSC-SNVBAGLBSA-N 0 0 308.472 4.027 50 0 DIAARN CCCCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=N ZINC000019940146 182167801 /nfs/dbraw/zinc/16/78/01/182167801.db2.gz WYSDYHBYVSQBCE-UHFFFAOYSA-N 0 0 323.440 4.110 50 0 DIAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000020029681 182181208 /nfs/dbraw/zinc/18/12/08/182181208.db2.gz ZXLFBAACKKURCQ-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000020100696 182187257 /nfs/dbraw/zinc/18/72/57/182187257.db2.gz PTVKIPBSHBFCNU-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN Clc1ccc(-c2nc(Br)c3ccccn32)cc1 ZINC000020263961 182201335 /nfs/dbraw/zinc/20/13/35/182201335.db2.gz IPVXTYHCFJJNGI-UHFFFAOYSA-N 0 0 307.578 4.417 50 0 DIAARN Nc1nc(Br)c2c(F)cccc2c1-c1ccccc1 ZINC000020387433 182213403 /nfs/dbraw/zinc/21/34/03/182213403.db2.gz XBSXHYZDANRNJE-UHFFFAOYSA-N 0 0 317.161 4.386 50 0 DIAARN O=C(CCc1ccccc1)Nc1ccc(F)cc1Br ZINC000020430214 182216622 /nfs/dbraw/zinc/21/66/22/182216622.db2.gz BAINZFNQUPDTHL-UHFFFAOYSA-N 0 0 322.177 4.160 50 0 DIAARN O=C(Nc1ccc(Cl)cn1)Nc1ccc(Cl)cc1F ZINC000020435915 182216894 /nfs/dbraw/zinc/21/68/94/182216894.db2.gz GBYSDZGHBVOWRH-UHFFFAOYSA-N 0 0 300.120 4.172 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)Nc1ccc2c(c1)CCC2 ZINC000020494131 182224275 /nfs/dbraw/zinc/22/42/75/182224275.db2.gz YODUEBDGAABWLZ-UHFFFAOYSA-N 0 0 313.426 4.155 50 0 DIAARN FC(F)(F)[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ccnn21 ZINC000020616526 182239305 /nfs/dbraw/zinc/23/93/05/182239305.db2.gz RHTKMLZRKWAMSH-WDEREUQCSA-N 0 0 301.699 4.197 50 0 DIAARN Cc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)c(C)c1 ZINC000020673277 182241828 /nfs/dbraw/zinc/24/18/28/182241828.db2.gz MRERNNRCZNSLFW-UHFFFAOYSA-N 0 0 321.405 4.264 50 0 DIAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1 ZINC000020719710 182243501 /nfs/dbraw/zinc/24/35/01/182243501.db2.gz SQOBHLUUXAIIAX-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN Cc1cccc(Nc2ncnc3onc(-c4ccc(F)cc4)c32)c1 ZINC000020574530 182235149 /nfs/dbraw/zinc/23/51/49/182235149.db2.gz ONLOFHWJELLZQO-UHFFFAOYSA-N 0 0 320.327 4.476 50 0 DIAARN COc1ccc2nc(NCc3csc(C(C)=O)c3)sc2c1 ZINC000020601690 182236496 /nfs/dbraw/zinc/23/64/96/182236496.db2.gz IYOOZGVLUVHSIZ-UHFFFAOYSA-N 0 0 318.423 4.181 50 0 DIAARN Cn1ncc2c1nc(-c1ccc(Cl)s1)cc2C(F)(F)F ZINC000020604877 182237237 /nfs/dbraw/zinc/23/72/37/182237237.db2.gz OZNYEMAADUWBKE-UHFFFAOYSA-N 0 0 317.723 4.369 50 0 DIAARN Cc1cc(C)n(CCc2nc(-c3ccc(F)cc3F)cs2)n1 ZINC000020606429 182237991 /nfs/dbraw/zinc/23/79/91/182237991.db2.gz YMYQHYFWPXCZAU-UHFFFAOYSA-N 0 0 319.380 4.144 50 0 DIAARN Cc1nn(Cc2ccc(C)cc2)c2nc(C)cc(C(F)(F)F)c12 ZINC000020605756 182238027 /nfs/dbraw/zinc/23/80/27/182238027.db2.gz HVDQTGCPYBBAPO-UHFFFAOYSA-N 0 0 319.330 4.424 50 0 DIAARN O=C(/C=C/c1ccco1)OCc1cc2ccccc2nc1Cl ZINC000020822829 182247615 /nfs/dbraw/zinc/24/76/15/182247615.db2.gz QMTAHBIYFRITTL-BQYQJAHWSA-N 0 0 313.740 4.238 50 0 DIAARN CCCOc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000020821775 182247874 /nfs/dbraw/zinc/24/78/74/182247874.db2.gz IWZDMDKVLQCGTN-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN CCCc1c(C)nc2ncnn2c1Nc1cccc2c1CCCC2 ZINC000020853895 182249399 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CC(=O)c1sc(Cc2ccc(Br)cc2)nc1C ZINC000040993748 183155098 /nfs/dbraw/zinc/15/50/98/183155098.db2.gz CKQXYYUAGWDOPN-UHFFFAOYSA-N 0 0 310.216 4.007 50 0 DIAARN Cc1csc(-c2cccc(C(=O)N3CCc4ccccc43)c2)n1 ZINC000041334953 183185652 /nfs/dbraw/zinc/18/56/52/183185652.db2.gz OBCLLAAFGGEHJS-UHFFFAOYSA-N 0 0 320.417 4.321 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000041450224 183191889 /nfs/dbraw/zinc/19/18/89/183191889.db2.gz RKYNDXOBEVRUIW-UHFFFAOYSA-N 0 0 304.733 4.021 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000041450550 183191922 /nfs/dbraw/zinc/19/19/22/183191922.db2.gz FIWNVNRIDODCIP-UHFFFAOYSA-N 0 0 318.760 4.064 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000041450547 183192021 /nfs/dbraw/zinc/19/20/21/183192021.db2.gz XNILDPWNSGEGJU-UHFFFAOYSA-N 0 0 318.760 4.064 50 0 DIAARN Cc1ccc(CN[C@@H](c2nccn2C)c2cccc(F)c2)cc1C ZINC000042204124 183241763 /nfs/dbraw/zinc/24/17/63/183241763.db2.gz HDVXMIQXMRSEFY-LJQANCHMSA-N 0 0 323.415 4.055 50 0 DIAARN O=C(NCc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000042238961 183245465 /nfs/dbraw/zinc/24/54/65/183245465.db2.gz NXSFBEWUSXNXCB-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN c1ccc2oc(NCc3ccnc(OC4CCCC4)c3)nc2c1 ZINC000042107984 183232989 /nfs/dbraw/zinc/23/29/89/183232989.db2.gz LLBRKEKNQMBCLC-UHFFFAOYSA-N 0 0 309.369 4.156 50 0 DIAARN Cc1noc(C)c1CSc1nccn1-c1ccc(C)cc1C ZINC000042142245 183234904 /nfs/dbraw/zinc/23/49/04/183234904.db2.gz VZYBEGSYMPTDIF-UHFFFAOYSA-N 0 0 313.426 4.386 50 0 DIAARN O=C(Nc1ccc2c[nH]nc2c1)C1(c2cccs2)CCCC1 ZINC000042383568 183262291 /nfs/dbraw/zinc/26/22/91/183262291.db2.gz WTNYOOOTLRJRFU-UHFFFAOYSA-N 0 0 311.410 4.075 50 0 DIAARN CS[C@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000042853373 183314126 /nfs/dbraw/zinc/31/41/26/183314126.db2.gz JIQXHPWYHGTEMU-YPMHNXCESA-N 0 0 320.483 4.101 50 0 DIAARN CCN(Cc1ccccc1)c1ncc(Br)cc1C ZINC000042783647 183308953 /nfs/dbraw/zinc/30/89/53/183308953.db2.gz RATHMNPPEINRIA-UHFFFAOYSA-N 0 0 305.219 4.179 50 0 DIAARN 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DIAARN COC(=O)c1cc(Nc2cccc(F)c2)c2cccc(C)c2n1 ZINC000044165800 183397207 /nfs/dbraw/zinc/39/72/07/183397207.db2.gz XQJNNIABVMTWBL-UHFFFAOYSA-N 0 0 310.328 4.213 50 0 DIAARN CC(C)n1c2ccc(NC(=O)CCC3CCCC3)cc2oc1=O ZINC000046010510 183543214 /nfs/dbraw/zinc/54/32/14/183543214.db2.gz XRPXLCFMITYQKU-UHFFFAOYSA-N 0 0 316.401 4.084 50 0 DIAARN Cc1c(-c2ccccc2)sc2[nH]c(-c3ccccn3)nc(=O)c12 ZINC000046703644 183566607 /nfs/dbraw/zinc/56/66/07/183566607.db2.gz FMMGEWSZPJRKAN-UHFFFAOYSA-N 0 0 319.389 4.022 50 0 DIAARN c1cc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)cs2)cs1 ZINC000106108281 194186219 /nfs/dbraw/zinc/18/62/19/194186219.db2.gz UZWOKAXXOLPCNF-CABCVRRESA-N 0 0 320.483 4.015 50 0 DIAARN O=C(NCCCn1cccc1)c1ccccc1Oc1ccccc1 ZINC000049028452 183703466 /nfs/dbraw/zinc/70/34/66/183703466.db2.gz SEWDJBAGVPQPLC-UHFFFAOYSA-N 0 0 320.392 4.101 50 0 DIAARN Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000053248300 183895103 /nfs/dbraw/zinc/89/51/03/183895103.db2.gz CTLXZAMZUXIDAG-QMMMGPOBSA-N 0 0 314.172 4.173 50 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DIAARN CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1 ZINC000056358905 184011632 /nfs/dbraw/zinc/01/16/32/184011632.db2.gz IULHDUKJMGCXBY-UHFFFAOYSA-N 0 0 303.793 4.178 50 0 DIAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000057061308 184026478 /nfs/dbraw/zinc/02/64/78/184026478.db2.gz ADBLCXKVLSFZLV-CMKMFDCUSA-N 0 0 315.363 4.192 50 0 DIAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(C(C)C)CO3 ZINC000057134906 184027671 /nfs/dbraw/zinc/02/76/71/184027671.db2.gz PEUZJJBWGMHCMY-UHFFFAOYSA-N 0 0 315.413 4.004 50 0 DIAARN CCCCOc1ccc(-c2cc3c(Cl)nccn3n2)cc1 ZINC000057352188 184034992 /nfs/dbraw/zinc/03/49/92/184034992.db2.gz JOTUXFYQIWFHBY-UHFFFAOYSA-N 0 0 301.777 4.229 50 0 DIAARN O=C(NCCCc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000057416219 184037889 /nfs/dbraw/zinc/03/78/89/184037889.db2.gz IXNQSSOCAPFKBV-UHFFFAOYSA-N 0 0 312.800 4.184 50 0 DIAARN COc1ccc(-c2cc3c(SCC(C)C)nccn3n2)cc1 ZINC000057510784 184040201 /nfs/dbraw/zinc/04/02/01/184040201.db2.gz PMFXQDAPAWMZTJ-UHFFFAOYSA-N 0 0 313.426 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50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccc[nH]1 ZINC000058210474 184088526 /nfs/dbraw/zinc/08/85/26/184088526.db2.gz XXJZSTJNZNSUKS-AWEZNQCLSA-N 0 0 323.318 4.403 50 0 DIAARN C[C@H](c1ccncc1)N(C)C(=O)c1cc2c(cccc2F)s1 ZINC000058216963 184089358 /nfs/dbraw/zinc/08/93/58/184089358.db2.gz XEHOFWHPXUJULY-LLVKDONJSA-N 0 0 314.385 4.269 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000058223342 184090557 /nfs/dbraw/zinc/09/05/57/184090557.db2.gz CUHRFMBHLJERKH-CQSZACIVSA-N 0 0 323.318 4.403 50 0 DIAARN COc1ccc(NC(=O)N[C@@]2(C)CCCc3ccccc32)cc1 ZINC000058245303 184093956 /nfs/dbraw/zinc/09/39/56/184093956.db2.gz DDZGJLZBMBYPJN-IBGZPJMESA-N 0 0 310.397 4.068 50 0 DIAARN Cc1ccc(C)c(C[S@@](=O)CCCOc2ccc(F)cc2)c1 ZINC000058132494 184078887 /nfs/dbraw/zinc/07/88/87/184078887.db2.gz LAQAICYXZFAVRM-JOCHJYFZSA-N 0 0 320.429 4.160 50 0 DIAARN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(F)cc1 ZINC000058135996 184080052 /nfs/dbraw/zinc/08/00/52/184080052.db2.gz JSPNVYLFLFTHBE-UHFFFAOYSA-N 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DIAARN O=C(c1ccccc1CN1CCC1)c1cccc(Cl)c1Cl ZINC000002515633 563305838 /nfs/dbraw/zinc/30/58/38/563305838.db2.gz LCEZZARQTKEDHJ-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCC1 ZINC000002515636 563306188 /nfs/dbraw/zinc/30/61/88/563306188.db2.gz BYYXPVOZQQVDHI-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN O=C(CCc1cccc(Br)c1)c1cccc(F)c1 ZINC000002516711 563306592 /nfs/dbraw/zinc/30/65/92/563306592.db2.gz MLNXDNUOSNPYBG-UHFFFAOYSA-N 0 0 307.162 4.404 50 0 DIAARN CCOC(=O)c1ccccc1C(=O)CCc1ccc(C)cc1C ZINC000002517481 563307358 /nfs/dbraw/zinc/30/73/58/563307358.db2.gz ODFYFIDCAPZHDR-UHFFFAOYSA-N 0 0 310.393 4.296 50 0 DIAARN COC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccccc2)n1 ZINC000002527269 563307695 /nfs/dbraw/zinc/30/76/95/563307695.db2.gz QYLOXGWSCGOQPH-UHFFFAOYSA-N 0 0 324.405 4.048 50 0 DIAARN COc1ccc(Cl)cc1NCCC(=O)c1ccc(F)cc1 ZINC000002521079 563307777 /nfs/dbraw/zinc/30/77/77/563307777.db2.gz ILMHTEKJKVAYDO-UHFFFAOYSA-N 0 0 307.752 4.173 50 0 DIAARN CSc1ccc(-c2nn(-c3ccc(C)cc3)cc2CO)cc1 ZINC000002541927 563308417 /nfs/dbraw/zinc/30/84/17/563308417.db2.gz DKPFBFMPFSENPA-UHFFFAOYSA-N 0 0 310.422 4.062 50 0 DIAARN COc1ccc(C=O)cc1OCc1cccc(C(F)(F)F)c1 ZINC000002558326 563308941 /nfs/dbraw/zinc/30/89/41/563308941.db2.gz XOTVUZQWWQLZDX-UHFFFAOYSA-N 0 0 310.271 4.106 50 0 DIAARN COc1cccc(C=O)c1OCc1cccc(C(F)(F)F)c1 ZINC000002558290 563309127 /nfs/dbraw/zinc/30/91/27/563309127.db2.gz VQNZSLRIXIXYBD-UHFFFAOYSA-N 0 0 310.271 4.106 50 0 DIAARN Nc1nc(Sc2cccs2)cc(Sc2cccs2)n1 ZINC000002571492 563309920 /nfs/dbraw/zinc/30/99/20/563309920.db2.gz GFHYCNVWVVESLL-UHFFFAOYSA-N 0 0 323.493 4.484 50 0 DIAARN O=C(Nc1c(F)cc(F)cc1Br)C1CCCCC1 ZINC000002582339 563310361 /nfs/dbraw/zinc/31/03/61/563310361.db2.gz YRINQDPTGFGPQO-UHFFFAOYSA-N 0 0 318.161 4.246 50 0 DIAARN CCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1 ZINC000002594423 563310675 /nfs/dbraw/zinc/31/06/75/563310675.db2.gz JMCKPMJVAWYGHL-UHFFFAOYSA-N 0 0 321.323 4.329 50 0 DIAARN CCCCC(=O)Nc1nn(CCC)c2nc3c(C)cccc3cc12 ZINC000002605443 563311315 /nfs/dbraw/zinc/31/13/15/563311315.db2.gz BSTHYEGYDWNTOS-UHFFFAOYSA-N 0 0 324.428 4.432 50 0 DIAARN Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)o1 ZINC000002760275 563312459 /nfs/dbraw/zinc/31/24/59/563312459.db2.gz QQUAVRMFKZVPIK-UHFFFAOYSA-N 0 0 323.396 4.010 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000002743976 563312470 /nfs/dbraw/zinc/31/24/70/563312470.db2.gz PWBGRRPLZQJNPB-GFCCVEGCSA-N 0 0 305.324 4.087 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)N[C@H](C)CCCC(C)C)c(C)c1 ZINC000002743584 563312493 /nfs/dbraw/zinc/31/24/93/563312493.db2.gz MNQJEWZIUJGGTI-MRXNPFEDSA-N 0 0 311.491 4.105 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)NCCCc1ccccc1 ZINC000002751602 563312702 /nfs/dbraw/zinc/31/27/02/563312702.db2.gz CJABHCAWOAYREG-UHFFFAOYSA-N 0 0 320.392 4.013 50 0 DIAARN CCCC[C@H](CC)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000002767674 563312973 /nfs/dbraw/zinc/31/29/73/563312973.db2.gz JKPQVNDAPRKKJD-SFHVURJKSA-N 0 0 316.489 4.168 50 0 DIAARN Cc1ccccc1CSCCNC(=O)/C=C/c1ccccc1 ZINC000002814677 563313466 /nfs/dbraw/zinc/31/34/66/563313466.db2.gz LRUXJCAJMHXRFK-VAWYXSNFSA-N 0 0 311.450 4.058 50 0 DIAARN C[C@H](SCc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000002815528 563313860 /nfs/dbraw/zinc/31/38/60/563313860.db2.gz OPCVPMJUHYIFCZ-HNNXBMFYSA-N 0 0 303.471 4.315 50 0 DIAARN O=C(CSCc1c(Cl)cccc1Cl)N1CCCCC1 ZINC000002838715 563314371 /nfs/dbraw/zinc/31/43/71/563314371.db2.gz SUGUAYSZJWJSJF-UHFFFAOYSA-N 0 0 318.269 4.239 50 0 DIAARN Cc1ccc(OCCOc2ccc(C=O)cc2Cl)c(C)c1 ZINC000002866746 563315411 /nfs/dbraw/zinc/31/54/11/563315411.db2.gz SIAUJHSIUIZPJM-UHFFFAOYSA-N 0 0 304.773 4.227 50 0 DIAARN CCC(=O)c1ccc(OCCCn2cnc3ccccc32)cc1 ZINC000002868414 563315554 /nfs/dbraw/zinc/31/55/54/563315554.db2.gz OXERJGGXDQPZGA-UHFFFAOYSA-N 0 0 308.381 4.098 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)CCSc1ccccc1 ZINC000002876129 563316001 /nfs/dbraw/zinc/31/60/01/563316001.db2.gz BQBGPXYGZLYFPM-MRXNPFEDSA-N 0 0 313.466 4.306 50 0 DIAARN 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CC(C)=C[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)C1(C)C ZINC000032843231 563401559 /nfs/dbraw/zinc/40/15/59/563401559.db2.gz HUINDZQGANDZRK-JKSUJKDBSA-N 0 0 305.849 4.237 50 0 DIAARN COc1cc(C)ccc1Oc1ccc(Br)cc1N ZINC000014631031 563402118 /nfs/dbraw/zinc/40/21/18/563402118.db2.gz HTMVNSQRGMMTNE-UHFFFAOYSA-N 0 0 308.175 4.141 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000032854046 563402209 /nfs/dbraw/zinc/40/22/09/563402209.db2.gz AXRUABCXTZTSME-KRWDZBQOSA-N 0 0 320.396 4.240 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3ccccc32)cc1C ZINC000032850823 563402661 /nfs/dbraw/zinc/40/26/61/563402661.db2.gz YQOWBRFSWCVYOE-LJQANCHMSA-N 0 0 321.420 4.070 50 0 DIAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000032854048 563402778 /nfs/dbraw/zinc/40/27/78/563402778.db2.gz VZXJVSQSLZTILW-QGZVFWFLSA-N 0 0 320.396 4.240 50 0 DIAARN O=C(Nc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000032854053 563402930 /nfs/dbraw/zinc/40/29/30/563402930.db2.gz YERZWCBVADPIJM-UHFFFAOYSA-N 0 0 318.760 4.145 50 0 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/nfs/dbraw/zinc/41/99/18/563419918.db2.gz SHSLJROBVUNMGS-UHFFFAOYSA-N 0 0 317.414 4.092 50 0 DIAARN C[NH2+]Cc1ccc(Br)cc1Oc1ccc(C)cc1 ZINC000034664101 563420301 /nfs/dbraw/zinc/42/03/01/563420301.db2.gz MRAVFDPXTDKUSM-UHFFFAOYSA-N 0 0 306.203 4.269 50 0 DIAARN O=C(Nc1ccccc1)c1cc2cc(Br)ccc2[nH]1 ZINC000024745371 563421184 /nfs/dbraw/zinc/42/11/84/563421184.db2.gz HZQZGJUXQMEAKA-UHFFFAOYSA-N 0 0 315.170 4.183 50 0 DIAARN COc1ccc(F)cc1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000025204850 563421786 /nfs/dbraw/zinc/42/17/86/563421786.db2.gz UHARXJDVPHRPQG-UHFFFAOYSA-N 0 0 304.704 4.465 50 0 DIAARN Brc1ccc(CCNc2nc3ccccc3o2)s1 ZINC000025249783 563422027 /nfs/dbraw/zinc/42/20/27/563422027.db2.gz AQDHDJHUDQHWHC-UHFFFAOYSA-N 0 0 323.215 4.306 50 0 DIAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1F ZINC000025298910 563422045 /nfs/dbraw/zinc/42/20/45/563422045.db2.gz NRBKIFKQLBNKSD-LLVKDONJSA-N 0 0 323.314 4.227 50 0 DIAARN CC(C)c1cc(C(=O)N[C@@H](C)c2ccco2)c2ccccc2n1 ZINC000025261187 563422124 /nfs/dbraw/zinc/42/21/24/563422124.db2.gz WFKCVFFKINIQQO-ZDUSSCGKSA-N 0 0 308.381 4.442 50 0 DIAARN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1Cc1ccco1 ZINC000025441306 563423038 /nfs/dbraw/zinc/42/30/38/563423038.db2.gz SWCPLTIWMWIHHP-ACJLOTCBSA-N 0 0 314.429 4.055 50 0 DIAARN Cc1cc2ccccc2n1CC(=O)Nc1cnc2ccccc2c1 ZINC000025999494 563424429 /nfs/dbraw/zinc/42/44/29/563424429.db2.gz YGDFHHBELNDCKA-UHFFFAOYSA-N 0 0 315.376 4.137 50 0 DIAARN CCc1ccc(CN(C)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000026245623 563424892 /nfs/dbraw/zinc/42/48/92/563424892.db2.gz YPSXENVREMGGRR-ZDUSSCGKSA-N 0 0 302.443 4.213 50 0 DIAARN Cc1ccc(SCC(=O)Nc2oncc2-c2ccccc2)cc1 ZINC000032950888 563424997 /nfs/dbraw/zinc/42/49/97/563424997.db2.gz ZJMMUZBFGZTWDX-UHFFFAOYSA-N 0 0 324.405 4.381 50 0 DIAARN c1csc(-c2nc(CSc3ncc4ccccn43)co2)c1 ZINC000026371675 563425735 /nfs/dbraw/zinc/42/57/35/563425735.db2.gz JRTYXHFEXNRBFC-UHFFFAOYSA-N 0 0 313.407 4.343 50 0 DIAARN Cc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000026688314 563426654 /nfs/dbraw/zinc/42/66/54/563426654.db2.gz ILPJUUDRUCCRFC-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000026687870 563426695 /nfs/dbraw/zinc/42/66/95/563426695.db2.gz BLGMMNWHVANZSA-UHFFFAOYSA-N 0 0 320.179 4.267 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000026652323 563426744 /nfs/dbraw/zinc/42/67/44/563426744.db2.gz KJZVJFUPSUVWEG-UHFFFAOYSA-N 0 0 324.380 4.074 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)o1 ZINC000027277917 563427190 /nfs/dbraw/zinc/42/71/90/563427190.db2.gz YTVSILKTFCCTHG-QMTHXVAHSA-N 0 0 318.804 4.189 50 0 DIAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027580184 563427936 /nfs/dbraw/zinc/42/79/36/563427936.db2.gz PJYUQOVKTAZRIR-UHFFFAOYSA-N 0 0 320.392 4.197 50 0 DIAARN C[C@H](NC(=O)NCc1ccccc1F)c1ccc(Cl)s1 ZINC000027350078 563428062 /nfs/dbraw/zinc/42/80/62/563428062.db2.gz PTSVATLEUSCUKH-VIFPVBQESA-N 0 0 312.797 4.101 50 0 DIAARN Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)cc1C ZINC000027557165 563428229 /nfs/dbraw/zinc/42/82/29/563428229.db2.gz LVVRGRQZWWNRPK-HNNXBMFYSA-N 0 0 314.404 4.074 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1C ZINC000027583538 563428842 /nfs/dbraw/zinc/42/88/42/563428842.db2.gz VHPMTCUEYGEKHU-UHFFFAOYSA-N 0 0 306.365 4.235 50 0 DIAARN CCCCC1CCC(C(=O)NCCc2csc(C)n2)CC1 ZINC000027793429 563429957 /nfs/dbraw/zinc/42/99/57/563429957.db2.gz MUQZKVJYPLDWNM-UHFFFAOYSA-N 0 0 308.491 4.107 50 0 DIAARN Cc1nc2ccccc2nc1SCc1nc2ccccc2o1 ZINC000028191286 563431005 /nfs/dbraw/zinc/43/10/05/563431005.db2.gz VCLJSOBIHCEMSI-UHFFFAOYSA-N 0 0 307.378 4.372 50 0 DIAARN COc1cc(C(C)=O)ccc1OCCOc1cccc(Cl)c1 ZINC000032957874 563431045 /nfs/dbraw/zinc/43/10/45/563431045.db2.gz WBLRZJKYYSBQRA-UHFFFAOYSA-N 0 0 320.772 4.009 50 0 DIAARN O=C(CCCc1nc2ccccc2[nH]1)NC1CCCCCCC1 ZINC000029053547 563433104 /nfs/dbraw/zinc/43/31/04/563433104.db2.gz USYKIUHLBHFRMW-UHFFFAOYSA-N 0 0 313.445 4.115 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nn1 ZINC000072287822 563435533 /nfs/dbraw/zinc/43/55/33/563435533.db2.gz BVSFQXKSNFCLMO-UHFFFAOYSA-N 0 0 323.318 4.045 50 0 DIAARN Cc1ccc(CN(C)C(=O)c2ccc(Cl)c3cccnc23)o1 ZINC000029757820 563435860 /nfs/dbraw/zinc/43/58/60/563435860.db2.gz JOIIONBJZUNANP-UHFFFAOYSA-N 0 0 314.772 4.062 50 0 DIAARN CCCOc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C)c1 ZINC000072291283 563435898 /nfs/dbraw/zinc/43/58/98/563435898.db2.gz OCKOMKPBHADKBI-HNNXBMFYSA-N 0 0 309.409 4.457 50 0 DIAARN COc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1F ZINC000072291406 563436248 /nfs/dbraw/zinc/43/62/48/563436248.db2.gz AZKWIHKUWJLPQE-UHFFFAOYSA-N 0 0 301.361 4.022 50 0 DIAARN Cc1nc(C)c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000030314855 563437023 /nfs/dbraw/zinc/43/70/23/563437023.db2.gz NOCPNDVATSVJPA-SNVBAGLBSA-N 0 0 308.834 4.247 50 0 DIAARN Cc1cc(C(=O)Nc2ccc3ccccc3n2)c(C)n1C1CC1 ZINC000070878985 563437626 /nfs/dbraw/zinc/43/76/26/563437626.db2.gz FIRDPXDJHYJPBQ-UHFFFAOYSA-N 0 0 305.381 4.240 50 0 DIAARN Cc1ccc(CN[C@H](c2nccn2C)c2ccc(F)cc2)c(C)c1 ZINC000030644366 563437784 /nfs/dbraw/zinc/43/77/84/563437784.db2.gz IATBQHMMQRNPDI-IBGZPJMESA-N 0 0 323.415 4.055 50 0 DIAARN CC/C(=C/C(=O)NCc1cccc(COC)c1)c1ccc(C)cc1 ZINC000072295289 563439733 /nfs/dbraw/zinc/43/97/33/563439733.db2.gz ZDSBNEKDCAAIHY-UYRXBGFRSA-N 0 0 323.436 4.251 50 0 DIAARN Cc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1 ZINC000003088858 563439791 /nfs/dbraw/zinc/43/97/91/563439791.db2.gz NPLCSRWZQNVYFC-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN O=C1C[C@H](c2ccccc2F)c2ncn(-c3ccccc3)c2N1 ZINC000031820488 563441004 /nfs/dbraw/zinc/44/10/04/563441004.db2.gz LERVGWIQUBUPDZ-CQSZACIVSA-N 0 0 307.328 4.135 50 0 DIAARN CCN(C(=O)c1ccc(Br)cc1)c1cccc(C)c1 ZINC000032181200 563441763 /nfs/dbraw/zinc/44/17/63/563441763.db2.gz NXRHHDOCCGXWJH-UHFFFAOYSA-N 0 0 318.214 4.424 50 0 DIAARN CN(C)C(=O)c1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000032523759 563442682 /nfs/dbraw/zinc/44/26/82/563442682.db2.gz PKGNPJPABYTIHT-UHFFFAOYSA-N 0 0 316.813 4.319 50 0 DIAARN FC(F)(F)c1cc(NC[C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000032626829 563443238 /nfs/dbraw/zinc/44/32/38/563443238.db2.gz BVTGTIHYDWVYGJ-QMMMGPOBSA-N 0 0 313.241 4.173 50 0 DIAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000033270515 563444935 /nfs/dbraw/zinc/44/49/35/563444935.db2.gz HBGRRNKJTZZJCO-MRXNPFEDSA-N 0 0 313.401 4.223 50 0 DIAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 ZINC000033087358 563445092 /nfs/dbraw/zinc/44/50/92/563445092.db2.gz PICXSTXGTGCTNR-AWEZNQCLSA-N 0 0 317.364 4.054 50 0 DIAARN O=C(C1c2ccccc2Sc2ccccc21)N1CCCCC1 ZINC000000201785 563446774 /nfs/dbraw/zinc/44/67/74/563446774.db2.gz UYPQFQBCKZYOJM-UHFFFAOYSA-N 0 0 309.434 4.296 50 0 DIAARN Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccccc1F ZINC000000229148 563447448 /nfs/dbraw/zinc/44/74/48/563447448.db2.gz MAMRGMODZZGBOY-UHFFFAOYSA-N 0 0 323.154 4.140 50 0 DIAARN COc1ccc(CCNc2cc(C)c3ccccc3n2)cc1OC ZINC000022077554 563448904 /nfs/dbraw/zinc/44/89/04/563448904.db2.gz YFKQHAVFDFQJSP-UHFFFAOYSA-N 0 0 322.408 4.215 50 0 DIAARN COc1cccc2c1N(C(C)=O)[C@@H]1C[C@H](C)CC[C@H]1C2(C)C ZINC000005028701 563450590 /nfs/dbraw/zinc/45/05/90/563450590.db2.gz XBYIWEVXNSASAT-XNRPHZJLSA-N 0 0 301.430 4.144 50 0 DIAARN CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@H]2[C@@H]1c1ccco1 ZINC000036049204 563454486 /nfs/dbraw/zinc/45/44/86/563454486.db2.gz XCUSOXGYBWDEPN-JENULPTLSA-N 0 0 324.380 4.262 50 0 DIAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000036620310 563455461 /nfs/dbraw/zinc/45/54/61/563455461.db2.gz RWDOCRHFBWWGAY-FQEVSTJZSA-N 0 0 323.436 4.300 50 0 DIAARN COc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000036620853 563455847 /nfs/dbraw/zinc/45/58/47/563455847.db2.gz VHAZOAMCJYBZFR-GOSISDBHSA-N 0 0 310.397 4.373 50 0 DIAARN Cc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cc1 ZINC000036621104 563456005 /nfs/dbraw/zinc/45/60/05/563456005.db2.gz RYDRDICYUNGWMQ-MRXNPFEDSA-N 0 0 322.364 4.220 50 0 DIAARN C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)c1ccncc1 ZINC000032978340 563457361 /nfs/dbraw/zinc/45/73/61/563457361.db2.gz FUBGZXUHDJYGPX-MRXNPFEDSA-N 0 0 316.404 4.163 50 0 DIAARN C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc2ccccc21 ZINC000032986384 563458740 /nfs/dbraw/zinc/45/87/40/563458740.db2.gz HWBLXBDDIABIPT-QMTHXVAHSA-N 0 0 308.208 4.211 50 0 DIAARN CCCCc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000032985385 563458937 /nfs/dbraw/zinc/45/89/37/563458937.db2.gz RJSBXEHUGOSDRF-UHFFFAOYSA-N 0 0 321.420 4.466 50 0 DIAARN c1nc2cc(NCc3ccccn3)ccc2n1-c1ccccc1 ZINC000037866287 563459224 /nfs/dbraw/zinc/45/92/24/563459224.db2.gz IYNXJRSJKJVPQY-UHFFFAOYSA-N 0 0 300.365 4.033 50 0 DIAARN O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cccs1 ZINC000097938610 563460977 /nfs/dbraw/zinc/46/09/77/563460977.db2.gz DODNXVNDOXBDNL-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)cc1C ZINC000008040600 563461368 /nfs/dbraw/zinc/46/13/68/563461368.db2.gz ZUJLFYMAYLVLBB-MRXNPFEDSA-N 0 0 313.397 4.108 50 0 DIAARN CCc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1 ZINC000033019408 563463862 /nfs/dbraw/zinc/46/38/62/563463862.db2.gz XQGIAECTZFDEOJ-UHFFFAOYSA-N 0 0 310.441 4.026 50 0 DIAARN Cc1cc([C@@H]2CCCN2Cc2ccc(Br)cc2)on1 ZINC000047273990 563465894 /nfs/dbraw/zinc/46/58/94/563465894.db2.gz AKZWGNXUHAKVDM-AWEZNQCLSA-N 0 0 321.218 4.083 50 0 DIAARN Cc1cc(NC(=O)Cc2ccc3ccccc3c2)n(C(C)C)n1 ZINC000013657096 563468313 /nfs/dbraw/zinc/46/83/13/563468313.db2.gz RZGVKEGRHBUIQQ-UHFFFAOYSA-N 0 0 307.397 4.107 50 0 DIAARN CCCNC(=O)c1cc(C)nc2c(-c3ccc(F)cc3)cccc12 ZINC000033036774 563469750 /nfs/dbraw/zinc/46/97/50/563469750.db2.gz BSXMMZRORJUXTR-UHFFFAOYSA-N 0 0 322.383 4.489 50 0 DIAARN CC(=O)Nc1ccc(C(=O)N(Cc2cccc(C)c2)C(C)C)cc1 ZINC000055108326 563470652 /nfs/dbraw/zinc/47/06/52/563470652.db2.gz IYBTYPLLPJRHHD-UHFFFAOYSA-N 0 0 324.424 4.004 50 0 DIAARN Cc1ccnc(C[C@@H](C)N(C)Cc2c(Cl)cncc2Cl)c1 ZINC000055054165 563470918 /nfs/dbraw/zinc/47/09/18/563470918.db2.gz WNSOKWVWDRRFBN-GFCCVEGCSA-N 0 0 324.255 4.155 50 0 DIAARN CC(C)CN(Cc1ccsc1)C(=O)c1cccc(Cl)n1 ZINC000055108802 563471158 /nfs/dbraw/zinc/47/11/58/563471158.db2.gz WWMDOYAGEHPLOZ-UHFFFAOYSA-N 0 0 308.834 4.095 50 0 DIAARN CCc1nc(C)c(CN(Cc2ccc(SC)cc2)C2CC2)[nH]1 ZINC000055166665 563471978 /nfs/dbraw/zinc/47/19/78/563471978.db2.gz XPOKLVSGJWZIKW-UHFFFAOYSA-N 0 0 315.486 4.167 50 0 DIAARN Cc1ccnc(C[C@H](C)N(C)C(=O)c2cc3ccccc3s2)c1 ZINC000055197625 563472740 /nfs/dbraw/zinc/47/27/40/563472740.db2.gz QXRGGRUYALOGMV-AWEZNQCLSA-N 0 0 324.449 4.308 50 0 DIAARN Cc1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000055291901 563473656 /nfs/dbraw/zinc/47/36/56/563473656.db2.gz LZCZWRJLGJPLOD-UHFFFAOYSA-N 0 0 318.823 4.110 50 0 DIAARN CC[C@@H](C)N(C(=O)Cc1ccc(O)c(Cl)c1)C1CCCC1 ZINC000055404885 563475198 /nfs/dbraw/zinc/47/51/98/563475198.db2.gz PIXNUWBMYGVRLZ-GFCCVEGCSA-N 0 0 309.837 4.158 50 0 DIAARN Clc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000055543180 563476165 /nfs/dbraw/zinc/47/61/65/563476165.db2.gz DFQIZCIAUUJOOP-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN C[C@H]1CCc2ccccc2N1Cc1nc(Cc2ccccc2)no1 ZINC000058016621 563478012 /nfs/dbraw/zinc/47/80/12/563478012.db2.gz DSYCTDYOKKRFBF-HNNXBMFYSA-N 0 0 319.408 4.002 50 0 DIAARN CCC(CC)(NCc1nc(C2CC2)no1)c1ccc(Cl)cc1 ZINC000058343343 563478682 /nfs/dbraw/zinc/47/86/82/563478682.db2.gz VFBAFQCQPLIBAP-UHFFFAOYSA-N 0 0 319.836 4.406 50 0 DIAARN CC(C)Nc1c(Cl)cccc1NCc1nnsc1Cl ZINC000096461919 563483541 /nfs/dbraw/zinc/48/35/41/563483541.db2.gz BMERDGOHUPGJIC-UHFFFAOYSA-N 0 0 317.245 4.277 50 0 DIAARN Cc1nnc(CSCCCc2ccc(C(F)(F)F)cc2)o1 ZINC000096467884 563483922 /nfs/dbraw/zinc/48/39/22/563483922.db2.gz XQIKWAJJZBBGCW-UHFFFAOYSA-N 0 0 316.348 4.263 50 0 DIAARN CCC[C@H](N[C@H](C)c1ccc(CC)o1)c1nnc2ccccn21 ZINC000096477174 563484264 /nfs/dbraw/zinc/48/42/64/563484264.db2.gz VPMCJLLFMSMYMH-HIFRSBDPSA-N 0 0 312.417 4.077 50 0 DIAARN C[C@@H](CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 ZINC000096478895 563484362 /nfs/dbraw/zinc/48/43/62/563484362.db2.gz QOBIWRZHAAGKPX-SMDDNHRTSA-N 0 0 314.376 4.010 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)on1 ZINC000064985152 563486813 /nfs/dbraw/zinc/48/68/13/563486813.db2.gz GOQWGEHQZUSWTN-HNNXBMFYSA-N 0 0 317.364 4.054 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)on1 ZINC000064985008 563486857 /nfs/dbraw/zinc/48/68/57/563486857.db2.gz NHMYLKYCORAUTK-INIZCTEOSA-N 0 0 313.401 4.223 50 0 DIAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2)no1 ZINC000064984688 563487046 /nfs/dbraw/zinc/48/70/46/563487046.db2.gz OSHQIGPYKKMDQE-QGZVFWFLSA-N 0 0 313.401 4.305 50 0 DIAARN O=C(Nc1cnc2n1CCCC2)[C@@H](c1ccccc1)C1CCCC1 ZINC000067562898 563487982 /nfs/dbraw/zinc/48/79/82/563487982.db2.gz QZMGJLIVOPBLBQ-IBGZPJMESA-N 0 0 323.440 4.132 50 0 DIAARN COCc1nn2c(nccc2-c2ccsc2)c1-c1ccccc1 ZINC000067640749 563488082 /nfs/dbraw/zinc/48/80/82/563488082.db2.gz CPQQPHOJSQLBEU-UHFFFAOYSA-N 0 0 321.405 4.271 50 0 DIAARN C/C=C/C=C\C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000096793882 563488675 /nfs/dbraw/zinc/48/86/75/563488675.db2.gz SDBGGTLKEOZNDR-XBLKAADISA-N 0 0 312.438 4.135 50 0 DIAARN CCc1nccn1Cc1nc(-c2ccc(SC)cc2)oc1C ZINC000067789028 563490588 /nfs/dbraw/zinc/49/05/88/563490588.db2.gz JISDDMMTMMWWPV-UHFFFAOYSA-N 0 0 313.426 4.179 50 0 DIAARN COc1ccc(F)cc1-c1nccn1[C@H](C)CCCC(C)(C)O ZINC000067743298 563490646 /nfs/dbraw/zinc/49/06/46/563490646.db2.gz SGYZSAVUNZEDKS-CYBMUJFWSA-N 0 0 320.408 4.200 50 0 DIAARN CCC(CC)n1nc(C)cc1NC(=O)c1c[nH]c2ccccc12 ZINC000067741996 563490668 /nfs/dbraw/zinc/49/06/68/563490668.db2.gz YEEZVQPRMMKPBV-UHFFFAOYSA-N 0 0 310.401 4.286 50 0 DIAARN c1coc(-c2ccccc2-c2nccn2CCCn2ccnc2)c1 ZINC000067786879 563490671 /nfs/dbraw/zinc/49/06/71/563490671.db2.gz CDZZPWBKXQAKSQ-UHFFFAOYSA-N 0 0 318.380 4.097 50 0 DIAARN CNc1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cc1C(=O)[O-] ZINC000067805095 563491375 /nfs/dbraw/zinc/49/13/75/563491375.db2.gz BQISTKLSJUAVJQ-AWEZNQCLSA-N 0 0 324.424 4.250 50 0 DIAARN CC(C)n1c(CN(C)[C@@H](C)c2ccccn2)nc2ccccc21 ZINC000067834250 563491439 /nfs/dbraw/zinc/49/14/39/563491439.db2.gz FFQHOZPQWAGITN-HNNXBMFYSA-N 0 0 308.429 4.205 50 0 DIAARN O=C([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC000067834384 563491670 /nfs/dbraw/zinc/49/16/70/563491670.db2.gz AVGPORRCVQNLET-CQSZACIVSA-N 0 0 315.800 4.028 50 0 DIAARN CCc1nccn1Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000067854925 563492333 /nfs/dbraw/zinc/49/23/33/563492333.db2.gz UFMPTZLVKGMNTE-UHFFFAOYSA-N 0 0 301.777 4.111 50 0 DIAARN CC(=O)c1ccc(-c2nccn2Cc2ccccc2Cl)cc1 ZINC000067934302 563492981 /nfs/dbraw/zinc/49/29/81/563492981.db2.gz JNKVITUMTRJVDN-UHFFFAOYSA-N 0 0 310.784 4.454 50 0 DIAARN Cc1oc(-c2ccc3ccccc3c2)nc1Cn1ccnc1C ZINC000067894689 563493003 /nfs/dbraw/zinc/49/30/03/563493003.db2.gz QOMCDYSHNLVWDK-UHFFFAOYSA-N 0 0 303.365 4.356 50 0 DIAARN Cc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)c(C)n1 ZINC000067973667 563493874 /nfs/dbraw/zinc/49/38/74/563493874.db2.gz QZQBKYVWRFARRE-UHFFFAOYSA-N 0 0 301.777 4.165 50 0 DIAARN CCN(CC)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000000027604 563494880 /nfs/dbraw/zinc/49/48/80/563494880.db2.gz XCTKVHNXJIFHEP-OALUTQOASA-N 0 0 308.425 4.275 50 0 DIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1cccc(C)c1 ZINC000033086149 563496143 /nfs/dbraw/zinc/49/61/43/563496143.db2.gz WSTYDOLMWKWVFQ-UHFFFAOYSA-N 0 0 320.396 4.012 50 0 DIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccccc1C ZINC000033086159 563496598 /nfs/dbraw/zinc/49/65/98/563496598.db2.gz ZKFGJYODIYKLBO-UHFFFAOYSA-N 0 0 320.396 4.012 50 0 DIAARN CSc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000011229153 563497913 /nfs/dbraw/zinc/49/79/13/563497913.db2.gz QFZOLPMYIWXKDC-UHFFFAOYSA-N 0 0 307.802 4.079 50 0 DIAARN Fc1ccccc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000071195427 563498608 /nfs/dbraw/zinc/49/86/08/563498608.db2.gz VKRRYSQOUSFHDR-UHFFFAOYSA-N 0 0 321.277 4.400 50 0 DIAARN c1ccc2c(c1)cccc2-c1ccnc2nc(-c3ccncc3)nn21 ZINC000071376515 563499125 /nfs/dbraw/zinc/49/91/25/563499125.db2.gz BVJGQVXQGMGIIR-UHFFFAOYSA-N 0 0 323.359 4.007 50 0 DIAARN CCn1c2ccccc2nc1[C@@H](C)NCc1ncoc1C(C)C ZINC000097103336 563505275 /nfs/dbraw/zinc/50/52/75/563505275.db2.gz LBCUOZLEFXMWKE-CYBMUJFWSA-N 0 0 312.417 4.018 50 0 DIAARN Cc1cc(C)c2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1 ZINC000000031906 563505549 /nfs/dbraw/zinc/50/55/49/563505549.db2.gz JCIOMOUMIMVHHZ-UHFFFAOYSA-N 0 0 319.282 4.491 50 0 DIAARN COc1ccccc1[C@H]1CCCN1Cc1ccncc1Cl ZINC000075712271 563505652 /nfs/dbraw/zinc/50/56/52/563505652.db2.gz RXVZBFXEIIKQSY-MRXNPFEDSA-N 0 0 302.805 4.081 50 0 DIAARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2cscc2C)o1 ZINC000097161756 563507429 /nfs/dbraw/zinc/50/74/29/563507429.db2.gz AFQXMLBTUOSJKP-AWEZNQCLSA-N 0 0 320.414 4.165 50 0 DIAARN Cc1ccccc1-c1nc(CNCc2ccc([C@H]3C[C@@H]3C)o2)no1 ZINC000097164459 563507514 /nfs/dbraw/zinc/50/75/14/563507514.db2.gz HGJOLKKERRFZTB-BBRMVZONSA-N 0 0 323.396 4.051 50 0 DIAARN O=C(c1ccc(F)cc1F)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077300063 563508332 /nfs/dbraw/zinc/50/83/32/563508332.db2.gz NJPWJYVGHIAIEY-QGZVFWFLSA-N 0 0 319.326 4.471 50 0 DIAARN Cc1cc2cccc(C(=O)N3CCC(c4ccncc4)CC3)c2o1 ZINC000077285843 563508338 /nfs/dbraw/zinc/50/83/38/563508338.db2.gz IDDUIBGKBJLALD-UHFFFAOYSA-N 0 0 320.392 4.156 50 0 DIAARN CC[C@@H](c1nc(C)c(C)s1)n1ccnc1-c1cccc(O)c1 ZINC000077287971 563508722 /nfs/dbraw/zinc/50/87/22/563508722.db2.gz VRJNKLCPWKWHRO-HNNXBMFYSA-N 0 0 313.426 4.328 50 0 DIAARN Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1O ZINC000077354268 563508904 /nfs/dbraw/zinc/50/89/04/563508904.db2.gz JPPIVDGUXXCDPN-QGZVFWFLSA-N 0 0 313.372 4.207 50 0 DIAARN CC[C@H]1c2cccn2CCN1C(=O)c1cc2cc(C)ccc2o1 ZINC000077322607 563509001 /nfs/dbraw/zinc/50/90/01/563509001.db2.gz LKSINLAIBLIEGR-HNNXBMFYSA-N 0 0 308.381 4.150 50 0 DIAARN CC(C)n1cc(C(=O)NCc2ccc(-c3ccccc3)cc2)cn1 ZINC000077356652 563509032 /nfs/dbraw/zinc/50/90/32/563509032.db2.gz FFDNVCFVDSAUGU-UHFFFAOYSA-N 0 0 319.408 4.061 50 0 DIAARN Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cn1 ZINC000077340493 563509170 /nfs/dbraw/zinc/50/91/70/563509170.db2.gz ITJUUVRHGBLSTF-SFHVURJKSA-N 0 0 312.388 4.205 50 0 DIAARN CCc1cc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)ccn1 ZINC000077437970 563510188 /nfs/dbraw/zinc/51/01/88/563510188.db2.gz VMOHZLGIVHBKFH-SFHVURJKSA-N 0 0 312.388 4.151 50 0 DIAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)ccc1O ZINC000077407059 563510279 /nfs/dbraw/zinc/51/02/79/563510279.db2.gz JDKREHVEOGRYBM-QGZVFWFLSA-N 0 0 313.372 4.207 50 0 DIAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000000043960 563511819 /nfs/dbraw/zinc/51/18/19/563511819.db2.gz LHIGTAIBWHPZEB-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN C[C@H](SC1CCOCC1)c1cccc(Br)c1 ZINC000097229755 563513694 /nfs/dbraw/zinc/51/36/94/563513694.db2.gz BIHHPEMUVJYDRH-JTQLQIEISA-N 0 0 301.249 4.422 50 0 DIAARN CC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1C ZINC000000052461 563514030 /nfs/dbraw/zinc/51/40/30/563514030.db2.gz ATNGYKXVSASBJO-UHFFFAOYSA-N 0 0 307.397 4.205 50 0 DIAARN CC(=C/c1ccccc1)/C=C1\N=C(c2ccccc2C)OC1=O ZINC000033292752 563518498 /nfs/dbraw/zinc/51/84/98/563518498.db2.gz RJICTKFKKNJDGF-REFMDLPBSA-N 0 0 303.361 4.286 50 0 DIAARN O=C(NCCC1=CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000033282196 563518584 /nfs/dbraw/zinc/51/85/84/563518584.db2.gz JCAZPTRRKHANCV-UHFFFAOYSA-N 0 0 306.409 4.369 50 0 DIAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2C)c1 ZINC000085430323 563520562 /nfs/dbraw/zinc/52/05/62/563520562.db2.gz ZWXYPZZKZRLXHA-QGZVFWFLSA-N 0 0 320.392 4.137 50 0 DIAARN Cc1[nH]c2ccccc2c1[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000085430300 563520569 /nfs/dbraw/zinc/52/05/69/563520569.db2.gz FNJCJHGXSRJKTF-GOSISDBHSA-N 0 0 304.393 4.340 50 0 DIAARN O=C(NCCc1ccc(-c2ccsc2)s1)c1ccco1 ZINC000585148076 563521757 /nfs/dbraw/zinc/52/17/57/563521757.db2.gz NDOIGOMHUFSNQX-UHFFFAOYSA-N 0 0 303.408 4.042 50 0 DIAARN O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1Cc1ccco1 ZINC000000070082 563522056 /nfs/dbraw/zinc/52/20/56/563522056.db2.gz JEMDFWPKMWYJLD-GOSISDBHSA-N 0 0 322.339 4.185 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000000074592 563523563 /nfs/dbraw/zinc/52/35/63/563523563.db2.gz JDOKWEBHARDMTN-UHFFFAOYSA-N 0 0 320.175 4.408 50 0 DIAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1Cl ZINC000011427456 563526347 /nfs/dbraw/zinc/52/63/47/563526347.db2.gz AQWNTBJTMUUIAG-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN O=C(Nc1cccc2c1CCCC2)[C@@H]1Cc2ccccc2S1 ZINC000011430061 563526457 /nfs/dbraw/zinc/52/64/57/563526457.db2.gz HCCROLYHGWUZDR-SFHVURJKSA-N 0 0 309.434 4.221 50 0 DIAARN Cc1sc2ncnc(-n3cnc4cc(C)c(C)cc43)c2c1C ZINC000000087719 563526799 /nfs/dbraw/zinc/52/67/99/563526799.db2.gz XRWCDZRZKPXNSI-UHFFFAOYSA-N 0 0 308.410 4.264 50 0 DIAARN CC1(C)CN2C(=S)N(c3ccccc3)[C@@H](c3ccccc3)N2C1 ZINC000000094521 563528357 /nfs/dbraw/zinc/52/83/57/563528357.db2.gz QDRVEILXRSWJSO-KRWDZBQOSA-N 0 0 323.465 4.049 50 0 DIAARN FC(F)(F)c1cccc(Br)c1NN1CCCCC1 ZINC000095081563 563528361 /nfs/dbraw/zinc/52/83/61/563528361.db2.gz WIPQERNSRDPNSH-UHFFFAOYSA-N 0 0 323.156 4.281 50 0 DIAARN COc1ccccc1OCc1nc2ccccc2n1CC(C)C ZINC000000092279 563528396 /nfs/dbraw/zinc/52/83/96/563528396.db2.gz MMVCPPJJQVEASU-UHFFFAOYSA-N 0 0 310.397 4.280 50 0 DIAARN Cc1ccc([C@H]2Cc3[nH]c(-c4ccccc4)nc3C(=O)C2)s1 ZINC000095117819 563529062 /nfs/dbraw/zinc/52/90/62/563529062.db2.gz ICACIVZLNVNKAK-ZDUSSCGKSA-N 0 0 308.406 4.359 50 0 DIAARN CCCOc1cc(NC(C)(C)C)c(N)cc1Br ZINC000095217890 563529079 /nfs/dbraw/zinc/52/90/79/563529079.db2.gz ABUKKASNQMMFRO-UHFFFAOYSA-N 0 0 301.228 4.031 50 0 DIAARN CCOC(=O)c1csc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000095929216 563531589 /nfs/dbraw/zinc/53/15/89/563531589.db2.gz RHFCTOYJTXUSCI-UHFFFAOYSA-N 0 0 317.197 4.370 50 0 DIAARN CCCCSCc1cc(-c2nc([C@@H]3CCOC3)no2)oc1C ZINC000096132570 563533331 /nfs/dbraw/zinc/53/33/31/563533331.db2.gz RYZPHHCBXGLPFA-GFCCVEGCSA-N 0 0 322.430 4.175 50 0 DIAARN COCC1(NC(=O)Nc2cccc(-c3ccco3)c2)CCCC1 ZINC000096160168 563534653 /nfs/dbraw/zinc/53/46/53/563534653.db2.gz PLYGSEJBJJAOAO-UHFFFAOYSA-N 0 0 314.385 4.027 50 0 DIAARN Cc1nccn1-c1ccc(NC(=O)N[C@@H](C)C2=CCCCC2)cc1 ZINC000096162009 563534938 /nfs/dbraw/zinc/53/49/38/563534938.db2.gz MTKJZVQTVIUYSO-AWEZNQCLSA-N 0 0 324.428 4.191 50 0 DIAARN Cc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000096170965 563535568 /nfs/dbraw/zinc/53/55/68/563535568.db2.gz DMCNZDBFCDNWGV-UHFFFAOYSA-N 0 0 324.302 4.215 50 0 DIAARN Cc1cccc(-c2cccc(NC(=O)N3CCC[C@H]3CCO)c2)c1 ZINC000096167066 563535582 /nfs/dbraw/zinc/53/55/82/563535582.db2.gz AYAVNDMTQUXNOA-IBGZPJMESA-N 0 0 324.424 4.041 50 0 DIAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(F)cc1 ZINC000011595227 563537661 /nfs/dbraw/zinc/53/76/61/563537661.db2.gz XWDFVELGQAHBIL-UHFFFAOYSA-N 0 0 311.765 4.142 50 0 DIAARN CC(C)c1nc(CN(C)Cc2cc(-c3ccccc3)on2)co1 ZINC000097499569 563539420 /nfs/dbraw/zinc/53/94/20/563539420.db2.gz PNQXRVCYIZAYMG-UHFFFAOYSA-N 0 0 311.385 4.085 50 0 DIAARN CC(C)COc1ccccc1-c1ncccc1C(=O)N1CCCC1 ZINC000097547466 563540057 /nfs/dbraw/zinc/54/00/57/563540057.db2.gz DOTSTZNOWBOKTA-UHFFFAOYSA-N 0 0 324.424 4.019 50 0 DIAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(C)c(C)c1 ZINC000097604160 563540232 /nfs/dbraw/zinc/54/02/32/563540232.db2.gz KWXLLLVQDUXBCM-SFHVURJKSA-N 0 0 311.429 4.097 50 0 DIAARN Cc1ncsc1CCC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000097522493 563540287 /nfs/dbraw/zinc/54/02/87/563540287.db2.gz QZYRALCHNXWEFQ-CQSZACIVSA-N 0 0 318.442 4.121 50 0 DIAARN CSc1ccc(CN2CCCC[C@H]2c2cc(C)on2)cc1 ZINC000097757950 563542802 /nfs/dbraw/zinc/54/28/02/563542802.db2.gz GZOOUYLLKSEBEK-KRWDZBQOSA-N 0 0 302.443 4.432 50 0 DIAARN COC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000097757340 563542825 /nfs/dbraw/zinc/54/28/25/563542825.db2.gz FAMLARHMZRYVNP-UHFFFAOYSA-N 0 0 310.271 4.347 50 0 DIAARN Cc1ccc([S@@](C)(=O)=NC(=O)c2cc3ccccc3o2)cc1 ZINC000100217144 563547901 /nfs/dbraw/zinc/54/79/01/563547901.db2.gz IYVWMODENCCLSY-JOCHJYFZSA-N 0 0 313.378 4.038 50 0 DIAARN CN1c2ccccc2[C@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000101016712 563555773 /nfs/dbraw/zinc/55/57/73/563555773.db2.gz BEEGGBYMYQQZQP-AWEZNQCLSA-N 0 0 305.299 4.008 50 0 DIAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1Br ZINC000101016182 563555837 /nfs/dbraw/zinc/55/58/37/563555837.db2.gz ZUMKJCSCQXAXKL-CYBMUJFWSA-N 0 0 316.198 4.036 50 0 DIAARN Cc1cc(C)nc(SCC2=NC(C)(C)Cc3ccccc32)n1 ZINC000000100026 563558153 /nfs/dbraw/zinc/55/81/53/563558153.db2.gz PHJLNUSCNOHGCT-UHFFFAOYSA-N 0 0 311.454 4.010 50 0 DIAARN COc1cccc2cc(/C=C/C(=O)N(C)c3ccccc3)oc21 ZINC000014205972 563561108 /nfs/dbraw/zinc/56/11/08/563561108.db2.gz CYJGIFARXIJDSC-VAWYXSNFSA-N 0 0 307.349 4.118 50 0 DIAARN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)Cc1ccco1 ZINC000257173527 563567801 /nfs/dbraw/zinc/56/78/01/563567801.db2.gz PSFYMGBFBKGERP-UHFFFAOYSA-N 0 0 324.355 4.061 50 0 DIAARN Cc1ccc(N2COc3ccc(Br)cc3C2)cc1 ZINC000000111223 563571013 /nfs/dbraw/zinc/57/10/13/563571013.db2.gz WFJUPMOVSRCBIR-UHFFFAOYSA-N 0 0 304.187 4.114 50 0 DIAARN CC(C)(C)c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000116736 563571026 /nfs/dbraw/zinc/57/10/26/563571026.db2.gz PWCAZGIYSNGDTA-UHFFFAOYSA-N 0 0 322.360 4.310 50 0 DIAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCc2ccccc21 ZINC000000140068 563572507 /nfs/dbraw/zinc/57/25/07/563572507.db2.gz VPMMVEONLTVGLR-BXUZGUMPSA-N 0 0 310.224 4.167 50 0 DIAARN COc1cccc(OC)c1C(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000000143344 563572538 /nfs/dbraw/zinc/57/25/38/563572538.db2.gz ZYOCKXVFPPOVPQ-UHFFFAOYSA-N 0 0 314.381 4.221 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000139420 563572735 /nfs/dbraw/zinc/57/27/35/563572735.db2.gz PTOXGPMPCYDSFS-UHFFFAOYSA-N 0 0 309.287 4.031 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000149678 563573320 /nfs/dbraw/zinc/57/33/20/563573320.db2.gz CSQUITWDOUPVII-CSKARUKUSA-N 0 0 301.773 4.309 50 0 DIAARN Cc1cc(NC(=O)CCC2CCCC2)n(Cc2ccccc2)n1 ZINC000028220071 563573324 /nfs/dbraw/zinc/57/33/24/563573324.db2.gz FFQOIFFWSYYGPS-UHFFFAOYSA-N 0 0 311.429 4.149 50 0 DIAARN CCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000149451 563573448 /nfs/dbraw/zinc/57/34/48/563573448.db2.gz OCNZCBZOZYJTNB-UHFFFAOYSA-N 0 0 301.198 4.465 50 0 DIAARN COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000000175494 563574572 /nfs/dbraw/zinc/57/45/72/563574572.db2.gz ZNTGWGUWVZPMCF-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccs1 ZINC000000174126 563574668 /nfs/dbraw/zinc/57/46/68/563574668.db2.gz XKYOMYVCHHRTOQ-UHFFFAOYSA-N 0 0 312.419 4.028 50 0 DIAARN Cc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)o1 ZINC000000176320 563575089 /nfs/dbraw/zinc/57/50/89/563575089.db2.gz FQQFYVDJKQWOQR-QPEQYQDCSA-N 0 0 322.147 4.239 50 0 DIAARN Cc1c2ccccc2oc1C(=O)Nc1n[nH]c(C(F)(F)F)c1C ZINC000050007707 563576203 /nfs/dbraw/zinc/57/62/03/563576203.db2.gz OLWAYBWFGDGXIE-UHFFFAOYSA-N 0 0 323.274 4.044 50 0 DIAARN COC(=O)c1sc2ccccc2c1NC(=O)C1CCCCC1 ZINC000000190402 563576593 /nfs/dbraw/zinc/57/65/93/563576593.db2.gz QLXDHRSPQZRVSY-UHFFFAOYSA-N 0 0 317.410 4.207 50 0 DIAARN CCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000000200800 563577380 /nfs/dbraw/zinc/57/73/80/563577380.db2.gz IYIFZTVXJKDTJS-HNNXBMFYSA-N 0 0 321.424 4.246 50 0 DIAARN CC[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000193087 563577480 /nfs/dbraw/zinc/57/74/80/563577480.db2.gz CDHZUFZVAFBDBU-BXKDBHETSA-N 0 0 315.196 4.213 50 0 DIAARN CC(C)c1ccc(NC(=O)c2coc(=O)c3ccccc23)cc1 ZINC000000211169 563578813 /nfs/dbraw/zinc/57/88/13/563578813.db2.gz YTZZWNGHNLRMKA-UHFFFAOYSA-N 0 0 307.349 4.169 50 0 DIAARN CCc1ccc([C@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000000222815 563579367 /nfs/dbraw/zinc/57/93/67/563579367.db2.gz BQHRCBDCITXMDN-QZTJIDSGSA-N 0 0 322.387 4.126 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)CCc2cn(C)c3ccccc23)[C@H]1C ZINC000000218394 563579406 /nfs/dbraw/zinc/57/94/06/563579406.db2.gz JGIBSZCUTFRXIH-VKJFTORMSA-N 0 0 312.457 4.052 50 0 DIAARN O=C(Nc1cccnc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000233841 563579947 /nfs/dbraw/zinc/57/99/47/563579947.db2.gz PPQJGPFRDBVXMG-IBGZPJMESA-N 0 0 314.388 4.026 50 0 DIAARN Fc1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000240179 563580189 /nfs/dbraw/zinc/58/01/89/563580189.db2.gz RXLIFGJZADVLII-MRXNPFEDSA-N 0 0 315.417 4.145 50 0 DIAARN Cc1ccccc1CSC1=NCCN1C(=O)C1CCCCC1 ZINC000000244542 563580839 /nfs/dbraw/zinc/58/08/39/563580839.db2.gz NXKPNNMVTZBJOG-UHFFFAOYSA-N 0 0 316.470 4.007 50 0 DIAARN Cc1ccn2cc(-c3cc4cc(Cl)ccc4oc3=O)nc2c1 ZINC000000244945 563580897 /nfs/dbraw/zinc/58/08/97/563580897.db2.gz LPFBFMVGBJHVHG-UHFFFAOYSA-N 0 0 310.740 4.070 50 0 DIAARN CCc1ccc(CNC(=O)CSCc2ccc(C)cc2)cc1 ZINC000000262716 563582844 /nfs/dbraw/zinc/58/28/44/563582844.db2.gz OCZNQKDALUPCBI-UHFFFAOYSA-N 0 0 313.466 4.107 50 0 DIAARN CC1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000000258024 563582955 /nfs/dbraw/zinc/58/29/55/563582955.db2.gz VSBJOWVJGDWENZ-UHFFFAOYSA-N 0 0 303.258 4.422 50 0 DIAARN COc1ccc(-c2cc(=O)c3cc(Cl)ccc3o2)cc1OC ZINC000000312256 563587253 /nfs/dbraw/zinc/58/72/53/563587253.db2.gz APXXCSVHVJCTDG-UHFFFAOYSA-N 0 0 316.740 4.131 50 0 biogenic DIAARN O=C(c1ccc(Cl)s1)N1CCCC[C@@H]1c1nccs1 ZINC000115365166 563588779 /nfs/dbraw/zinc/58/87/79/563588779.db2.gz UOMHGCQYWLRTRC-SECBINFHSA-N 0 0 312.847 4.225 50 0 DIAARN O=C1Cc2ccccc2Sc2c(Br)cccc21 ZINC000000346711 563589336 /nfs/dbraw/zinc/58/93/36/563589336.db2.gz JLNJJNSWTVAKLT-UHFFFAOYSA-N 0 0 305.196 4.339 50 0 DIAARN Cc1oc2cc(OC(=O)C3CC3)ccc2c(=O)c1-c1ccccc1 ZINC000000352002 563590126 /nfs/dbraw/zinc/59/01/26/563590126.db2.gz XTTOGZLIHTYJLE-UHFFFAOYSA-N 0 0 320.344 4.084 50 0 biogenic DIAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000000375178 563591207 /nfs/dbraw/zinc/59/12/07/563591207.db2.gz LZHJKQBQZVGKLK-UHFFFAOYSA-N 0 0 315.678 4.333 50 0 DIAARN CCc1nc2sc(-c3nc4ccccc4[nH]3)c(N)c2cc1C ZINC000000377795 563591278 /nfs/dbraw/zinc/59/12/78/563591278.db2.gz PPJMLBVXNZTJHS-UHFFFAOYSA-N 0 0 308.410 4.293 50 0 DIAARN C[C@H](O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000383831 563591738 /nfs/dbraw/zinc/59/17/38/563591738.db2.gz UXIPVOIIFUKESO-VIFPVBQESA-N 0 0 310.180 4.299 50 0 DIAARN Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000000067154 563592764 /nfs/dbraw/zinc/59/27/64/563592764.db2.gz REMSCYSCVLMSET-UHFFFAOYSA-N 0 0 305.164 4.001 50 0 DIAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3[nH]c2=S)cc1C ZINC000100530346 563595032 /nfs/dbraw/zinc/59/50/32/563595032.db2.gz ZCGNSWYINYFWDO-UHFFFAOYSA-N 0 0 322.389 4.411 50 0 DIAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000257365095 563595199 /nfs/dbraw/zinc/59/51/99/563595199.db2.gz ZFZQNLBUWBBOQG-XHSDSOJGSA-N 0 0 312.438 4.000 50 0 DIAARN O=c1c2cc(Br)ccc2scc1N1CCCCC1 ZINC000005075395 563596659 /nfs/dbraw/zinc/59/66/59/563596659.db2.gz LIIZITDEOBFHKQ-UHFFFAOYSA-N 0 0 324.243 4.014 50 0 DIAARN Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000100652159 563597242 /nfs/dbraw/zinc/59/72/42/563597242.db2.gz YNCLRQFKIQTLSJ-UHFFFAOYSA-N 0 0 320.270 4.174 50 0 DIAARN O=C(CC1(Cn2cccc2)CCCCC1)Nc1ccc(O)cc1 ZINC000409414514 563597701 /nfs/dbraw/zinc/59/77/01/563597701.db2.gz TVHJBMOSZMVONV-UHFFFAOYSA-N 0 0 312.413 4.173 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000011749991 563598632 /nfs/dbraw/zinc/59/86/32/563598632.db2.gz QMKOUYYLQXUHPQ-UHFFFAOYSA-N 0 0 301.389 4.301 50 0 DIAARN O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2s1 ZINC000011750311 563598877 /nfs/dbraw/zinc/59/88/77/563598877.db2.gz SRNJJFAXSCPHKK-UHFFFAOYSA-N 0 0 307.418 4.363 50 0 DIAARN O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000247938347 563598902 /nfs/dbraw/zinc/59/89/02/563598902.db2.gz ORKUKNQXKFDPES-BZPMIXESSA-N 0 0 314.351 4.047 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2ccccn2)cc1C ZINC000248122125 563600620 /nfs/dbraw/zinc/60/06/20/563600620.db2.gz YGUKEUZTCWKERY-BJLQDIEVSA-N 0 0 320.436 4.166 50 0 DIAARN Cc1cc(C)c2c(c1)oc(=O)cc2-c1oc2ccccc2c1N ZINC000011865159 563600690 /nfs/dbraw/zinc/60/06/90/563600690.db2.gz AVDSWXSSYYNWGH-UHFFFAOYSA-N 0 0 305.333 4.405 50 0 DIAARN O=C(Nc1nc(-c2cccs2)ns1)c1cccc(Cl)c1 ZINC000011914372 563601732 /nfs/dbraw/zinc/60/17/32/563601732.db2.gz IQCJTRDROVZAGY-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)no2)cc1 ZINC000011916411 563601915 /nfs/dbraw/zinc/60/19/15/563601915.db2.gz OYBYKMKASSPMAR-UHFFFAOYSA-N 0 0 307.349 4.486 50 0 DIAARN CCOc1ccccc1NC(=O)c1cc(-c2cccs2)on1 ZINC000011917499 563602289 /nfs/dbraw/zinc/60/22/89/563602289.db2.gz RWMXLQOBJRSHDX-UHFFFAOYSA-N 0 0 314.366 4.054 50 0 DIAARN O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915687 563602335 /nfs/dbraw/zinc/60/23/35/563602335.db2.gz ZLODVDSTGFTZOQ-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000011915491 563602390 /nfs/dbraw/zinc/60/23/90/563602390.db2.gz ICPHRIQNFDDMIZ-JTQLQIEISA-N 0 0 324.380 4.415 50 0 DIAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000011915166 563602400 /nfs/dbraw/zinc/60/24/00/563602400.db2.gz VLGFANZKRHHNBI-UHFFFAOYSA-N 0 0 322.364 4.301 50 0 DIAARN Cn1c2ccccc2s/c1=N/C(=O)c1ccc2ccccc2c1 ZINC000100811299 563602715 /nfs/dbraw/zinc/60/27/15/563602715.db2.gz WZQLFCGOIZMKQU-FMQUCBEESA-N 0 0 318.401 4.134 50 0 DIAARN O=C(c1ccc2ccccc2c1)N(Cc1ccncc1)C1CC1 ZINC000050821950 563606992 /nfs/dbraw/zinc/60/69/92/563606992.db2.gz TUDASQTVIOQDME-UHFFFAOYSA-N 0 0 302.377 4.040 50 0 DIAARN Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000135028490 563607759 /nfs/dbraw/zinc/60/77/59/563607759.db2.gz GMEWKOLCUYSVQV-KGLIPLIRSA-N 0 0 316.470 4.058 50 0 DIAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000000420345 563611471 /nfs/dbraw/zinc/61/14/71/563611471.db2.gz RFCATJHADQUKLI-UHFFFAOYSA-N 0 0 302.786 4.191 50 0 DIAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000000411220 563611675 /nfs/dbraw/zinc/61/16/75/563611675.db2.gz LNGXYBVBEFQSBB-UHFFFAOYSA-N 0 0 323.421 4.116 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(F)c2)cc1F ZINC000000423836 563612090 /nfs/dbraw/zinc/61/20/90/563612090.db2.gz BUNXUFXMSVZMOV-MRXNPFEDSA-N 0 0 305.349 4.052 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000000423868 563612182 /nfs/dbraw/zinc/61/21/82/563612182.db2.gz PRTPYLBQBHROBG-QGZVFWFLSA-N 0 0 319.376 4.360 50 0 DIAARN CCOC(=O)c1sc(=S)n(-c2ccc(C(C)C)cc2)c1N ZINC000000425165 563612856 /nfs/dbraw/zinc/61/28/56/563612856.db2.gz NBOLWHRGNHYEKW-UHFFFAOYSA-N 0 0 322.455 4.151 50 0 DIAARN Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1C ZINC000000429418 563613173 /nfs/dbraw/zinc/61/31/73/563613173.db2.gz WNOJFDQXAOBFNY-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN COc1cccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c1 ZINC000000430046 563613659 /nfs/dbraw/zinc/61/36/59/563613659.db2.gz KAIWHTDWBBWRGO-WQRHYEAKSA-N 0 0 321.376 4.163 50 0 DIAARN Cc1nc(-c2ccccn2)sc1-c1ccnn1-c1ccccc1 ZINC000221546253 563615048 /nfs/dbraw/zinc/61/50/48/563615048.db2.gz WYYGAZMEXXXVSA-UHFFFAOYSA-N 0 0 318.405 4.366 50 0 DIAARN CCC[C@H](C)[C@@]1(CC)C(=O)N=C(Nc2cccc(C)c2)NC1=O ZINC000033883010 563615735 /nfs/dbraw/zinc/61/57/35/563615735.db2.gz VRBPOQSZKMYRMX-ZDUSSCGKSA-N 0 0 315.417 4.092 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OCC ZINC000000503960 563618666 /nfs/dbraw/zinc/61/86/66/563618666.db2.gz MZEZPVZLJYNYRC-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN Cc1cccc(/C=C\C(=O)Nc2ccccc2Br)c1 ZINC000096556888 563619782 /nfs/dbraw/zinc/61/97/82/563619782.db2.gz YEVYJHOJCJFBAI-KTKRTIGZSA-N 0 0 316.198 4.409 50 0 DIAARN CCOc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000001417626 563620872 /nfs/dbraw/zinc/62/08/72/563620872.db2.gz HRSAEJXFWUREQK-UHFFFAOYSA-N 0 0 311.772 4.258 50 0 DIAARN O=C(N[C@@H]1CCSc2ccccc21)c1cc2ccccc2o1 ZINC000005425840 563621711 /nfs/dbraw/zinc/62/17/11/563621711.db2.gz BGHWHLPABISELT-CQSZACIVSA-N 0 0 309.390 4.400 50 0 DIAARN O=C(/C=C/c1ccco1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206669347 563624098 /nfs/dbraw/zinc/62/40/98/563624098.db2.gz OBGXWUHZPYNBFN-OFAQMXQXSA-N 0 0 313.372 4.228 50 0 DIAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000000193750 563625344 /nfs/dbraw/zinc/62/53/44/563625344.db2.gz MFEAOWRPVOQOEV-UHFFFAOYSA-N 0 0 313.360 4.254 50 0 in-vivo DIAARN CCOC(=O)[C@H]1CCCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000000240035 563627656 /nfs/dbraw/zinc/62/76/56/563627656.db2.gz HFIVLNZCVWBGNM-HXUWFJFHSA-N 0 0 323.436 4.271 50 0 DIAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000000133486 563627676 /nfs/dbraw/zinc/62/76/76/563627676.db2.gz SLTOFSHXKLIJDV-UHFFFAOYSA-N 0 0 303.789 4.481 50 0 DIAARN CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000102442 563627781 /nfs/dbraw/zinc/62/77/81/563627781.db2.gz RXILIQBCXSGEDQ-LBPRGKRZSA-N 0 0 307.390 4.140 50 0 DIAARN COc1cc(CNc2ccc(Br)cc2)cc(OC)c1 ZINC000000262960 563629293 /nfs/dbraw/zinc/62/92/93/563629293.db2.gz ZHWIPMQVVWPWAD-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN COc1ccc(Cl)cc1C(=O)N(Cc1ccccc1)C(C)C ZINC000000337676 563629798 /nfs/dbraw/zinc/62/97/98/563629798.db2.gz KNLIUMFXIYQODP-UHFFFAOYSA-N 0 0 317.816 4.399 50 0 DIAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000000505743 563629811 /nfs/dbraw/zinc/62/98/11/563629811.db2.gz FHVGZBBUZSGCMU-ZDUSSCGKSA-N 0 0 301.361 4.357 50 0 DIAARN O=c1cc(-c2ccc(Br)cc2)oc2ccccc12 ZINC000000173746 563634908 /nfs/dbraw/zinc/63/49/08/563634908.db2.gz URZUAHXELZUWFE-UHFFFAOYSA-N 0 0 301.139 4.223 50 0 biogenic,in-vitro DIAARN O=C(NN1c2ccccc2CCc2ccccc21)c1ccccc1 ZINC000003140754 563635420 /nfs/dbraw/zinc/63/54/20/563635420.db2.gz AXVSSYLPALWSJN-UHFFFAOYSA-N 0 0 314.388 4.268 50 0 DIAARN CC1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC000168611437 563645295 /nfs/dbraw/zinc/64/52/95/563645295.db2.gz XPXBMBMABDJTFT-UHFFFAOYSA-N 0 0 302.643 4.334 50 0 DIAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000100834891 563645361 /nfs/dbraw/zinc/64/53/61/563645361.db2.gz KQHKTVIACXVCOT-KRWDZBQOSA-N 0 0 322.799 4.296 50 0 DIAARN c1ccc(-c2ccccc2OCc2nnc([C@H]3CCCO3)o2)cc1 ZINC000583652307 563651377 /nfs/dbraw/zinc/65/13/77/563651377.db2.gz JKRMGUPNFITAFU-QGZVFWFLSA-N 0 0 322.364 4.167 50 0 DIAARN c1ccc(CC2CCN(c3nc4cccnc4s3)CC2)cc1 ZINC000583648302 563651719 /nfs/dbraw/zinc/65/17/19/563651719.db2.gz QTRFWGPKWIKOGN-UHFFFAOYSA-N 0 0 309.438 4.150 50 0 DIAARN O=C(CSCc1ccccc1)Nc1ccc2ncccc2c1 ZINC000018192306 563652967 /nfs/dbraw/zinc/65/29/67/563652967.db2.gz LOLQFNWLFQGYCR-UHFFFAOYSA-N 0 0 308.406 4.107 50 0 DIAARN O=C(Nc1ccc2ccccc2c1)c1cc2ccccc2oc1=O ZINC000000502516 563653790 /nfs/dbraw/zinc/65/37/90/563653790.db2.gz ORCPBSUOEFUIAG-UHFFFAOYSA-N 0 0 315.328 4.199 50 0 DIAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1F ZINC000013325833 563657720 /nfs/dbraw/zinc/65/77/20/563657720.db2.gz MWBYXGDXJPAXRW-UHFFFAOYSA-N 0 0 301.214 4.236 50 0 DIAARN CC(C)CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000000508070 563657814 /nfs/dbraw/zinc/65/78/14/563657814.db2.gz KDHONSYOOIASAQ-SECBINFHSA-N 0 0 307.488 4.146 50 0 DIAARN O=c1c2sc3ccccc3c2[nH]c(=S)n1-c1ccccc1 ZINC000102184818 563658625 /nfs/dbraw/zinc/65/86/25/563658625.db2.gz YWZFFDASXIUTRY-UHFFFAOYSA-N 0 0 310.403 4.263 50 0 DIAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@H](C)C1 ZINC000102535099 563660339 /nfs/dbraw/zinc/66/03/39/563660339.db2.gz WUEUUIXNSHDMAI-WDEREUQCSA-N 0 0 315.244 4.052 50 0 DIAARN CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000000521432 563664084 /nfs/dbraw/zinc/66/40/84/563664084.db2.gz HHDYYTVALIONSZ-FQEVSTJZSA-N 0 0 312.376 4.095 50 0 DIAARN CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000000521434 563664142 /nfs/dbraw/zinc/66/41/42/563664142.db2.gz HHDYYTVALIONSZ-HXUWFJFHSA-N 0 0 312.376 4.095 50 0 DIAARN COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000000522037 563664539 /nfs/dbraw/zinc/66/45/39/563664539.db2.gz NWEXSYQRWBDWHN-UHFFFAOYSA-N 0 0 300.741 4.430 50 0 DIAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccco3)NC(=O)CCN21 ZINC000000533604 563666735 /nfs/dbraw/zinc/66/67/35/563666735.db2.gz TTXWBUDCDPULPR-MFUYTVRRSA-N 0 0 322.408 4.456 50 0 biogenic DIAARN CCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 ZINC000000534700 563666870 /nfs/dbraw/zinc/66/68/70/563666870.db2.gz PUBGSWRXRYFLRS-UHFFFAOYSA-N 0 0 302.381 4.365 50 0 DIAARN Clc1ccc2[nH]c3c(ncnc3NCc3ccccc3)c2c1 ZINC000000539721 563667619 /nfs/dbraw/zinc/66/76/19/563667619.db2.gz KBLGHAQCCKKZKV-UHFFFAOYSA-N 0 0 308.772 4.377 50 0 DIAARN Fc1ccc2[nH]c3c(ncnc3NCCc3ccccc3F)c2c1 ZINC000000544147 563668741 /nfs/dbraw/zinc/66/87/41/563668741.db2.gz DAHZDAOXPKQAHG-UHFFFAOYSA-N 0 0 324.334 4.044 50 0 DIAARN COc1ccc2[nH]c3c(ncnc3NCCC3=CCCCC3)c2c1 ZINC000000543832 563668844 /nfs/dbraw/zinc/66/88/44/563668844.db2.gz QMOKNBPLCPRUGS-UHFFFAOYSA-N 0 0 322.412 4.422 50 0 DIAARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000000554958 563670448 /nfs/dbraw/zinc/67/04/48/563670448.db2.gz JESGOQZMDKGIDS-OAHLLOKOSA-N 0 0 322.389 4.333 50 0 DIAARN C[C@H](NC(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000014424907 563671390 /nfs/dbraw/zinc/67/13/90/563671390.db2.gz XEJBLPQMGQXKBT-VIFPVBQESA-N 0 0 314.237 4.475 50 0 DIAARN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000572822 563673583 /nfs/dbraw/zinc/67/35/83/563673583.db2.gz ICTXWWHSVCHISY-UHFFFAOYSA-N 0 0 314.360 4.063 50 0 DIAARN COc1ccc(-c2nc(Cc3csc(C)n3)sc2C)cc1 ZINC000046814924 563678131 /nfs/dbraw/zinc/67/81/31/563678131.db2.gz ZHLSWGLJOJWJSV-UHFFFAOYSA-N 0 0 316.451 4.483 50 0 DIAARN Cc1ccc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)cc1 ZINC000046914000 563678316 /nfs/dbraw/zinc/67/83/16/563678316.db2.gz ZEONZWLLGHGXAV-UHFFFAOYSA-N 0 0 319.368 4.053 50 0 DIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1 ZINC000047157673 563679071 /nfs/dbraw/zinc/67/90/71/563679071.db2.gz HGOSZARPWPFBBR-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN O=C(NCc1c(F)cccc1F)C1(c2cccs2)CCCC1 ZINC000012157794 563681108 /nfs/dbraw/zinc/68/11/08/563681108.db2.gz SRCYELBIMPBINF-UHFFFAOYSA-N 0 0 321.392 4.155 50 0 DIAARN Cc1nc(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)oc1C ZINC000047559645 563681787 /nfs/dbraw/zinc/68/17/87/563681787.db2.gz DQRDZYSCMZZZDQ-GLQYFDAESA-N 0 0 324.490 4.103 50 0 DIAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000045951922 563690913 /nfs/dbraw/zinc/69/09/13/563690913.db2.gz BXKWPNNOEDRYFA-LBPRGKRZSA-N 0 0 320.339 4.479 50 0 DIAARN O=C(Nc1cc(F)ccc1F)Nc1cc(Cl)ccc1F ZINC000051354454 563691000 /nfs/dbraw/zinc/69/10/00/563691000.db2.gz BYGIVUVTADKPOA-UHFFFAOYSA-N 0 0 300.667 4.401 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000051354475 563691367 /nfs/dbraw/zinc/69/13/67/563691367.db2.gz YREMDYSQZYMZQG-UHFFFAOYSA-N 0 0 304.733 4.021 50 0 DIAARN Cc1ccccc1-c1noc(-c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000046018697 563691626 /nfs/dbraw/zinc/69/16/26/563691626.db2.gz NKSUZELSLUOBBH-UHFFFAOYSA-N 0 0 319.364 4.061 50 0 DIAARN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(F)cc2)c1 ZINC000046018415 563691645 /nfs/dbraw/zinc/69/16/45/563691645.db2.gz YAXXLNIGAUBULU-SFHVURJKSA-N 0 0 312.388 4.181 50 0 DIAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1ccccc1Cl ZINC000046018099 563691732 /nfs/dbraw/zinc/69/17/32/563691732.db2.gz MFDDVEJXXMJNNK-OAHLLOKOSA-N 0 0 305.830 4.308 50 0 DIAARN CCC(=O)Nc1cccc(NC(=O)NC2CCCCCCC2)c1 ZINC000048308999 563695863 /nfs/dbraw/zinc/69/58/63/563695863.db2.gz GOYSOMNPHXDXAS-UHFFFAOYSA-N 0 0 317.433 4.270 50 0 DIAARN C[C@@H]1c2ccsc2CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000048325365 563696455 /nfs/dbraw/zinc/69/64/55/563696455.db2.gz ILPCJZXNZWJEQK-XUXNNNHQSA-N 0 0 315.482 4.410 50 0 DIAARN Cc1ccc(SCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000048325203 563696471 /nfs/dbraw/zinc/69/64/71/563696471.db2.gz BZHYDRGDYZHECR-GOSISDBHSA-N 0 0 311.450 4.451 50 0 DIAARN CCCOc1ccc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC ZINC000048374930 563697992 /nfs/dbraw/zinc/69/79/92/563697992.db2.gz GRZDUJWLKRAHBB-HUUCEWRRSA-N 0 0 317.429 4.018 50 0 DIAARN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)Oc1ccccc1 ZINC000115026195 563701002 /nfs/dbraw/zinc/70/10/02/563701002.db2.gz RPUCCPYQAJCCNO-UHFFFAOYSA-N 0 0 319.364 4.361 50 0 DIAARN CCN(C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC000116633139 563701186 /nfs/dbraw/zinc/70/11/86/563701186.db2.gz APOIFUDCOFYIIX-UHFFFAOYSA-N 0 0 300.196 4.211 50 0 DIAARN Cc1nn(C)c2c1[C@@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000049548086 563701507 /nfs/dbraw/zinc/70/15/07/563701507.db2.gz RGRQRMSWCXZZBE-MRXNPFEDSA-N 0 0 315.442 4.276 50 0 DIAARN Cc1cc([C@H]2CCCCN2Cc2cc(-c3ccccc3)no2)no1 ZINC000215197147 563704287 /nfs/dbraw/zinc/70/42/87/563704287.db2.gz YBPCYGRGMIQUDE-LJQANCHMSA-N 0 0 323.396 4.365 50 0 DIAARN COc1cccc([C@H]2CCN2C(=O)c2coc3ccccc23)c1 ZINC000216008054 563707585 /nfs/dbraw/zinc/70/75/85/563707585.db2.gz QWPGAZGBVANQKA-QGZVFWFLSA-N 0 0 307.349 4.029 50 0 DIAARN Cc1cc(C)c(OC(=O)C(C(F)(F)F)C(F)(F)F)c(C)c1 ZINC000003188859 563716176 /nfs/dbraw/zinc/71/61/76/563716176.db2.gz PKEXTOYPMJZLOK-UHFFFAOYSA-N 0 0 314.225 4.258 50 0 DIAARN CC(=O)c1cn(CC(=O)Nc2c(C)cccc2C)c2ccccc12 ZINC000000807217 563718209 /nfs/dbraw/zinc/71/82/09/563718209.db2.gz CSDNLVIDONXVRM-UHFFFAOYSA-N 0 0 320.392 4.099 50 0 DIAARN FC(F)(F)[C@H]1CCC[C@@H](Nc2cccc(-c3nc[nH]n3)c2)C1 ZINC000128760827 563718380 /nfs/dbraw/zinc/71/83/80/563718380.db2.gz ODDSMVITLMKVER-WCQYABFASA-N 0 0 310.323 4.005 50 0 DIAARN CC(C)(C)c1cc(CCC(=O)N2CCC2)cc(C(C)(C)C)c1O ZINC000008075144 563719071 /nfs/dbraw/zinc/71/90/71/563719071.db2.gz NCPLYDUUMCVVRD-UHFFFAOYSA-N 0 0 317.473 4.152 50 0 DIAARN Cn1ccc2cc(NC(=O)CCCCCn3cccc3)ccc21 ZINC000604418651 563719219 /nfs/dbraw/zinc/71/92/19/563719219.db2.gz UQNWBIHNKBWACH-UHFFFAOYSA-N 0 0 309.413 4.179 50 0 DIAARN Nc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000005775480 563719300 /nfs/dbraw/zinc/71/93/00/563719300.db2.gz DNICXAKOLFXQMG-UHFFFAOYSA-N 0 0 317.179 4.095 50 0 DIAARN CC(=O)NCc1ccc(-c2csc(-c3ccsc3)n2)cc1 ZINC000008102770 563719315 /nfs/dbraw/zinc/71/93/15/563719315.db2.gz DLACLYFXGUAQAY-UHFFFAOYSA-N 0 0 314.435 4.175 50 0 DIAARN C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cc2ccccc2o1 ZINC000008238666 563720069 /nfs/dbraw/zinc/72/00/69/563720069.db2.gz FAQZURPEGXPLOY-NSHDSACASA-N 0 0 311.406 4.474 50 0 DIAARN COc1ccccc1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 ZINC000000817737 563720337 /nfs/dbraw/zinc/72/03/37/563720337.db2.gz OXVPBLHCFGYGPO-LJQANCHMSA-N 0 0 305.381 4.148 50 0 DIAARN Cc1ccc(C)c(C(=O)NCc2ccc(-c3ccoc3)cc2)c1 ZINC000390832333 563720417 /nfs/dbraw/zinc/72/04/17/563720417.db2.gz YSJXDPNBZQLSGF-UHFFFAOYSA-N 0 0 305.377 4.493 50 0 DIAARN O=C(NCc1ccccc1Cl)c1ccc(-n2cccc2)cc1 ZINC000008273159 563720435 /nfs/dbraw/zinc/72/04/35/563720435.db2.gz JZHLQOSHZDEHRD-UHFFFAOYSA-N 0 0 310.784 4.061 50 0 DIAARN Cc1cc(Br)cc(C)c1NC(=O)/C=C\c1ccco1 ZINC000033315432 563724215 /nfs/dbraw/zinc/72/42/15/563724215.db2.gz UDWSALCRGBKJPK-WAYWQWQTSA-N 0 0 320.186 4.311 50 0 DIAARN Cc1cc(C)c(NC(=O)Cn2cc(C=O)c3ccccc32)c(C)c1 ZINC000033508992 563725191 /nfs/dbraw/zinc/72/51/91/563725191.db2.gz ILQAPPFYHYGFLC-UHFFFAOYSA-N 0 0 320.392 4.018 50 0 DIAARN CC[C@@H](Nc1ncc(Cl)cn1)c1nc(C(F)(F)F)cs1 ZINC000240407405 563776737 /nfs/dbraw/zinc/77/67/37/563776737.db2.gz FLZPPXJLWIHPKH-SSDOTTSWSA-N 0 0 322.743 4.169 50 0 DIAARN Cc1cccnc1[C@H]1CCC[C@H](Nc2cccc(NC(N)=O)c2)C1 ZINC000241470653 563777368 /nfs/dbraw/zinc/77/73/68/563777368.db2.gz NWVUPZVDCKOWAG-GJZGRUSLSA-N 0 0 324.428 4.019 50 0 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DIAARN COc1ccccc1Nc1nnc(SCCC(C)C)s1 ZINC000012526566 563797558 /nfs/dbraw/zinc/79/75/58/563797558.db2.gz HPQNUHVWPGLYDQ-UHFFFAOYSA-N 0 0 309.460 4.429 50 0 DIAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1cccc(C)c1C ZINC000012534248 563798465 /nfs/dbraw/zinc/79/84/65/563798465.db2.gz YVMUXYIAHWVGDE-OAHLLOKOSA-N 0 0 312.413 4.060 50 0 DIAARN Cc1ccccc1NCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000003208598 563799108 /nfs/dbraw/zinc/79/91/08/563799108.db2.gz VSCQGYTWKAKFFZ-WJDWOHSUSA-N 0 0 324.405 4.101 50 0 DIAARN O=C(CNc1cccc2ccccc21)Nc1cc(F)ccc1F ZINC000012542132 563799855 /nfs/dbraw/zinc/79/98/55/563799855.db2.gz ATUMHQQLCRQIDC-UHFFFAOYSA-N 0 0 312.319 4.169 50 0 DIAARN CC(C)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 ZINC000003235615 563799870 /nfs/dbraw/zinc/79/98/70/563799870.db2.gz YFZCQKCHCCBDMP-UHFFFAOYSA-N 0 0 317.429 4.262 50 0 DIAARN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@H]1CC=CCC1 ZINC000012548971 563800603 /nfs/dbraw/zinc/80/06/03/563800603.db2.gz IELLZMZGQFYGHZ-AWEZNQCLSA-N 0 0 309.413 4.058 50 0 DIAARN COc1cc(OC)cc(C(=O)Nc2ccc3sccc3c2)c1 ZINC000003354587 563800939 /nfs/dbraw/zinc/80/09/39/563800939.db2.gz HBTBMDNUWTXJLK-UHFFFAOYSA-N 0 0 313.378 4.171 50 0 DIAARN O=C(CCCOc1ccc(F)cc1)Nc1cccc2ncccc21 ZINC000012553581 563801128 /nfs/dbraw/zinc/80/11/28/563801128.db2.gz ZUHDPGLQNHBLHJ-UHFFFAOYSA-N 0 0 324.355 4.172 50 0 DIAARN O=C(c1cccc(-n2cccc2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000012555401 563801153 /nfs/dbraw/zinc/80/11/53/563801153.db2.gz FJXDURMNLJSLDJ-SJLPKXTDSA-N 0 0 308.425 4.130 50 0 DIAARN CCc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 ZINC000012556409 563801215 /nfs/dbraw/zinc/80/12/15/563801215.db2.gz QZOWDFQJHMFRFA-UHFFFAOYSA-N 0 0 323.421 4.350 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1F ZINC000012562209 563801582 /nfs/dbraw/zinc/80/15/82/563801582.db2.gz FPRVYGLUTCBBSQ-ZDUSSCGKSA-N 0 0 312.388 4.062 50 0 DIAARN CC(C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012561882 563801789 /nfs/dbraw/zinc/80/17/89/563801789.db2.gz LNCHTMSNDUINGW-LJQANCHMSA-N 0 0 308.425 4.242 50 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CCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000012623795 563807644 /nfs/dbraw/zinc/80/76/44/563807644.db2.gz BCEXYIRITDUTMP-UHFFFAOYSA-N 0 0 307.315 4.198 50 0 DIAARN C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 ZINC000032037809 563808354 /nfs/dbraw/zinc/80/83/54/563808354.db2.gz AXYSDGLHTLZLQI-WKEGUHRASA-N 0 0 312.649 4.163 50 0 DIAARN CCN(Cc1ccncc1)Cn1c2ccccc2sc1=S ZINC000012651361 563808985 /nfs/dbraw/zinc/80/89/85/563808985.db2.gz VGTWXPDCJYRUSO-UHFFFAOYSA-N 0 0 315.467 4.307 50 0 DIAARN COc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000001269756 563809797 /nfs/dbraw/zinc/80/97/97/563809797.db2.gz QQWDRGLVAXVWSS-UHFFFAOYSA-N 0 0 311.410 4.322 50 0 DIAARN Cc1ccc(-c2nc(C)cc(=O)n2Cc2ccc(Cl)cc2)cc1 ZINC000263615429 563810663 /nfs/dbraw/zinc/81/06/63/563810663.db2.gz CISRHVPYRKMYEN-UHFFFAOYSA-N 0 0 324.811 4.229 50 0 DIAARN COc1ccc2nc(C)c(C(=O)Nc3ccccc3C)cc2c1 ZINC000025765206 563811557 /nfs/dbraw/zinc/81/15/57/563811557.db2.gz KGAKWSFOVBHFHJ-UHFFFAOYSA-N 0 0 306.365 4.113 50 0 DIAARN O=C(Cn1ccc2c1cccc2Cl)Nc1ccc2cc[nH]c2c1 ZINC000032124003 563812136 /nfs/dbraw/zinc/81/21/36/563812136.db2.gz LKEJESOKPHXCBX-UHFFFAOYSA-N 0 0 323.783 4.415 50 0 biogenic DIAARN Cn1c2ccccc2nc(Oc2cc(Cl)cc(Cl)c2)c1=O ZINC000001382200 563813840 /nfs/dbraw/zinc/81/38/40/563813840.db2.gz YXQFPFUKTDCPOJ-UHFFFAOYSA-N 0 0 321.163 4.033 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1 ZINC000010335417 563813949 /nfs/dbraw/zinc/81/39/49/563813949.db2.gz FMMASKVSGZYCPA-UHFFFAOYSA-N 0 0 324.424 4.340 50 0 DIAARN C[C@@H]1COc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl ZINC000001389064 563814967 /nfs/dbraw/zinc/81/49/67/563814967.db2.gz TXXDVXDGMLDNLY-SNVBAGLBSA-N 0 0 322.191 4.421 50 0 DIAARN O=C(Nc1cccc(Cl)c1)N1CCSc2ccccc21 ZINC000001390789 563816559 /nfs/dbraw/zinc/81/65/59/563816559.db2.gz YVBGSQBWLWNTOC-UHFFFAOYSA-N 0 0 304.802 4.484 50 0 DIAARN CC[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000000316583 563819212 /nfs/dbraw/zinc/81/92/12/563819212.db2.gz QNSUMJISXBWXPS-HNNXBMFYSA-N 0 0 302.757 4.158 50 0 DIAARN Cc1cccc(OCC(=O)Oc2ccc(Cl)c(C)c2)c1C ZINC000000148533 563819864 /nfs/dbraw/zinc/81/98/64/563819864.db2.gz TYRUNHCTRWZIML-UHFFFAOYSA-N 0 0 304.773 4.250 50 0 DIAARN Clc1ccccc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000000216321 563820286 /nfs/dbraw/zinc/82/02/86/563820286.db2.gz KEZXDOHCXIWMNF-RMKNXTFCSA-N 0 0 312.844 4.175 50 0 DIAARN Cc1nc(SCc2nc3ccccc3[nH]2)n(CC(C)C)c1C ZINC000084051875 563821374 /nfs/dbraw/zinc/82/13/74/563821374.db2.gz BYZWHRAOLOAIMW-UHFFFAOYSA-N 0 0 314.458 4.325 50 0 DIAARN Cc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1Cl ZINC000084219353 563825443 /nfs/dbraw/zinc/82/54/43/563825443.db2.gz NYBPPVTXTACADE-CYBMUJFWSA-N 0 0 318.808 4.131 50 0 DIAARN Cc1ccoc1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000084251135 563825579 /nfs/dbraw/zinc/82/55/79/563825579.db2.gz GWLKYBASUGWHND-UHFFFAOYSA-N 0 0 305.377 4.150 50 0 DIAARN CC(C)(C)SCC(=O)NCc1ccc(Cl)cc1Cl ZINC000012765198 563826411 /nfs/dbraw/zinc/82/64/11/563826411.db2.gz ARLOQLQYSQEUBM-UHFFFAOYSA-N 0 0 306.258 4.141 50 0 DIAARN Clc1ccc(-c2n[nH]cc2CNc2ccc3n[nH]cc3c2)cc1 ZINC000084419358 563826609 /nfs/dbraw/zinc/82/66/09/563826609.db2.gz KVHQFSBZRQUMGX-UHFFFAOYSA-N 0 0 323.787 4.219 50 0 DIAARN CC(C)NC(=S)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000084620659 563828406 /nfs/dbraw/zinc/82/84/06/563828406.db2.gz ZBSQFSAQAZLKQV-KRWDZBQOSA-N 0 0 312.482 4.130 50 0 DIAARN CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000084656154 563829247 /nfs/dbraw/zinc/82/92/47/563829247.db2.gz QWDFBTCKPFIVOJ-CPUCHLNUSA-N 0 0 302.418 4.190 50 0 DIAARN C[C@H](c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1 ZINC000084656011 563829309 /nfs/dbraw/zinc/82/93/09/563829309.db2.gz WWESJANIVPQXPT-MRVPVSSYSA-N 0 0 302.230 4.038 50 0 DIAARN CC[C@H](c1ccccc1)[S@@](=O)Cc1cnn(-c2ccccc2)c1 ZINC000084734710 563830488 /nfs/dbraw/zinc/83/04/88/563830488.db2.gz QPIGEAFKQINFEQ-AUSIDOKSSA-N 0 0 324.449 4.272 50 0 DIAARN CC[C@H](c1ccccc1)[S@](=O)Cc1cnn(-c2ccccc2)c1 ZINC000084734715 563830616 /nfs/dbraw/zinc/83/06/16/563830616.db2.gz QPIGEAFKQINFEQ-XXBNENTESA-N 0 0 324.449 4.272 50 0 DIAARN CC1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000012807499 563835083 /nfs/dbraw/zinc/83/50/83/563835083.db2.gz QACCRWZBXMEADC-UHFFFAOYSA-N 0 0 300.229 4.231 50 0 DIAARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(O)c1 ZINC000011907399 563836102 /nfs/dbraw/zinc/83/61/02/563836102.db2.gz GFSYHWDALCJHFJ-LBPRGKRZSA-N 0 0 324.405 4.060 50 0 DIAARN C=Cc1ccc(C(=O)NC2(c3nc(C)cs3)CCCC2)cc1 ZINC000185276797 563838203 /nfs/dbraw/zinc/83/82/03/563838203.db2.gz WAUFXIYLZJRCJZ-UHFFFAOYSA-N 0 0 312.438 4.294 50 0 DIAARN CCOC(Cn1c(Cc2ccccc2)nc2ccccc21)OCC ZINC000001470670 563838230 /nfs/dbraw/zinc/83/82/30/563838230.db2.gz STBOFNRMWNRLFH-UHFFFAOYSA-N 0 0 324.424 4.026 50 0 DIAARN Cc1ccc(-n2ccnc2SCC(=O)c2ccccc2)cc1C ZINC000026044500 563839260 /nfs/dbraw/zinc/83/92/60/563839260.db2.gz OHCLEGZGMSLPJO-UHFFFAOYSA-N 0 0 322.433 4.464 50 0 DIAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000012821750 563840673 /nfs/dbraw/zinc/84/06/73/563840673.db2.gz YITCAOHWBZBETP-UHFFFAOYSA-N 0 0 311.429 4.337 50 0 DIAARN Brc1ccc(-c2nnc(-c3cccs3)o2)cc1 ZINC000001507162 563841827 /nfs/dbraw/zinc/84/18/27/563841827.db2.gz SJTBEAXNMDOACV-UHFFFAOYSA-N 0 0 307.172 4.228 50 0 DIAARN COc1ccc(CNc2ccc(Br)cc2)cc1OC ZINC000000242120 563842647 /nfs/dbraw/zinc/84/26/47/563842647.db2.gz ZGHWGISWKFMGEX-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(F)cc1F ZINC000012824865 563843508 /nfs/dbraw/zinc/84/35/08/563843508.db2.gz BQNNQZRGNBDBRE-UHFFFAOYSA-N 0 0 301.336 4.025 50 0 DIAARN Cc1[nH]c2ccccc2c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000012857474 563845122 /nfs/dbraw/zinc/84/51/22/563845122.db2.gz JWJJAHKBFXRZSH-UHFFFAOYSA-N 0 0 316.404 4.406 50 0 DIAARN C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000012861545 563845513 /nfs/dbraw/zinc/84/55/13/563845513.db2.gz CUSTYKMZFMNXNP-ZDUSSCGKSA-N 0 0 315.800 4.180 50 0 DIAARN CCC(CC)NC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000012866727 563846083 /nfs/dbraw/zinc/84/60/83/563846083.db2.gz IKKFSLUPZGBPDB-MRXNPFEDSA-N 0 0 302.443 4.325 50 0 DIAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000156282 563846171 /nfs/dbraw/zinc/84/61/71/563846171.db2.gz FGOSBCXOMBLILW-FQEVSTJZSA-N 0 0 316.356 4.468 50 0 DIAARN C[Si](C)(C)C1(CS(=O)(=O)CC2([Si](C)(C)C)CC2)CC1 ZINC000169829578 563849565 /nfs/dbraw/zinc/84/95/65/563849565.db2.gz BOVDVIYEZFNYDR-UHFFFAOYSA-N 0 0 318.631 4.146 50 0 DIAARN O=C(N[C@@H]1CCOc2ccccc21)c1c(Cl)cccc1Cl ZINC000012882466 563852130 /nfs/dbraw/zinc/85/21/30/563852130.db2.gz GYADSINUXPMJIR-CYBMUJFWSA-N 0 0 322.191 4.247 50 0 DIAARN O=C(NCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012893825 563852741 /nfs/dbraw/zinc/85/27/41/563852741.db2.gz RZHVBODXMZCMNR-UHFFFAOYSA-N 0 0 322.383 4.116 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2)on1 ZINC000012896959 563852756 /nfs/dbraw/zinc/85/27/56/563852756.db2.gz JVMAWBSJKRHNNC-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN C[C@@H](NC(=O)NCc1ccccc1)c1ccc2ccccc2c1 ZINC000012907312 563853261 /nfs/dbraw/zinc/85/32/61/563853261.db2.gz QXAMPAWSWONBAO-OAHLLOKOSA-N 0 0 304.393 4.400 50 0 DIAARN CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 ZINC000012908484 563853327 /nfs/dbraw/zinc/85/33/27/563853327.db2.gz DLUIQEMGMWZUHC-UHFFFAOYSA-N 0 0 320.751 4.080 50 0 DIAARN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F ZINC000012909115 563853847 /nfs/dbraw/zinc/85/38/47/563853847.db2.gz VQEDJCKXEFXVTN-CYBMUJFWSA-N 0 0 313.351 4.001 50 0 DIAARN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F ZINC000012909119 563853865 /nfs/dbraw/zinc/85/38/65/563853865.db2.gz VQEDJCKXEFXVTN-ZDUSSCGKSA-N 0 0 313.351 4.001 50 0 DIAARN COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012918696 563854017 /nfs/dbraw/zinc/85/40/17/563854017.db2.gz KTSNERTWWSIQGS-KRWDZBQOSA-N 0 0 315.800 4.230 50 0 DIAARN Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000012922572 563854187 /nfs/dbraw/zinc/85/41/87/563854187.db2.gz FZOOGHNAIFHAJU-UHFFFAOYSA-N 0 0 323.436 4.186 50 0 DIAARN O=C(Nc1cc(F)cc(F)c1)c1csc(-c2cccs2)n1 ZINC000012919903 563854606 /nfs/dbraw/zinc/85/46/06/563854606.db2.gz RCMBLAJZFAWIKB-UHFFFAOYSA-N 0 0 322.361 4.402 50 0 DIAARN Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H](C)CCCC(C)C ZINC000075105324 563859716 /nfs/dbraw/zinc/85/97/16/563859716.db2.gz AOJDUVYPLUNWRE-ZDUSSCGKSA-N 0 0 315.413 4.046 50 0 DIAARN COc1cccc(CCC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC000075107500 563859879 /nfs/dbraw/zinc/85/98/79/563859879.db2.gz HGZVRDMESLISHZ-OXQOHEQNSA-N 0 0 323.436 4.032 50 0 DIAARN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl ZINC000075107188 563859891 /nfs/dbraw/zinc/85/98/91/563859891.db2.gz ILMOLADZJLPHSM-JSGCOSHPSA-N 0 0 317.791 4.497 50 0 DIAARN N#CN(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000075108857 563860474 /nfs/dbraw/zinc/86/04/74/563860474.db2.gz IAPYSAXQJLUJEB-UHFFFAOYSA-N 0 0 309.756 4.483 50 0 DIAARN Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c1 ZINC000075136648 563860589 /nfs/dbraw/zinc/86/05/89/563860589.db2.gz OIRBTSURZDWZEI-ZDUSSCGKSA-N 0 0 323.421 4.005 50 0 DIAARN O=C(c1ccccc1Cl)N1CCC(c2ccsc2)CC1 ZINC000075157108 563861391 /nfs/dbraw/zinc/86/13/91/563861391.db2.gz YNHFJPBZCMGHLJ-UHFFFAOYSA-N 0 0 305.830 4.421 50 0 DIAARN Oc1cc(C2N=NC(=S)N2c2ccccc2)cc2ccccc12 ZINC000075251736 563861772 /nfs/dbraw/zinc/86/17/72/563861772.db2.gz HDXOAPZNCHSZQK-UHFFFAOYSA-N 0 0 319.389 4.082 50 0 DIAARN COc1ccc2occ(C(=O)c3coc4ccc(O)cc34)c2c1 ZINC000075286670 563862677 /nfs/dbraw/zinc/86/26/77/563862677.db2.gz UNKYEMLRWARCEE-UHFFFAOYSA-N 0 0 308.289 4.124 50 0 DIAARN Clc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000001576827 563863127 /nfs/dbraw/zinc/86/31/27/563863127.db2.gz YZVOFVFKOCNLTQ-UHFFFAOYSA-N 0 0 321.771 4.213 50 0 DIAARN O=C(NCc1ccc(-c2ccoc2)o1)Nc1c(F)cccc1F ZINC000575610508 563865816 /nfs/dbraw/zinc/86/58/16/563865816.db2.gz OXFPHGMVNHBQIH-UHFFFAOYSA-N 0 0 318.279 4.140 50 0 DIAARN O=C(NCc1cncc(C2CC2)c1)c1cccc2ccccc21 ZINC000575619819 563867684 /nfs/dbraw/zinc/86/76/84/563867684.db2.gz OGWSWEFTFIVHFC-UHFFFAOYSA-N 0 0 302.377 4.042 50 0 DIAARN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1csc(C2CC2)n1 ZINC000225424658 563869765 /nfs/dbraw/zinc/86/97/65/563869765.db2.gz FFEXTVVGVFLXCH-ZJQBRPOHSA-N 0 0 321.490 4.205 50 0 DIAARN COc1cccc(NC(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1 ZINC000011561989 563870563 /nfs/dbraw/zinc/87/05/63/563870563.db2.gz QLMGEZQOQXETNS-GOSISDBHSA-N 0 0 310.397 4.276 50 0 DIAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000229692847 563870791 /nfs/dbraw/zinc/87/07/91/563870791.db2.gz QCCFWKHNQFQVBQ-XBFCOCLRSA-N 0 0 312.438 4.010 50 0 DIAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1F ZINC000075437349 563871584 /nfs/dbraw/zinc/87/15/84/563871584.db2.gz BVYIVICBOKYZMM-UHFFFAOYSA-N 0 0 321.355 4.152 50 0 DIAARN O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)c1ccccc1 ZINC000035552312 563872392 /nfs/dbraw/zinc/87/23/92/563872392.db2.gz FNMIGUZYQGENFX-UHFFFAOYSA-N 0 0 319.364 4.256 50 0 DIAARN CCOC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C ZINC000006401884 563872827 /nfs/dbraw/zinc/87/28/27/563872827.db2.gz CDKQNGIWVZDPFV-KPZWWZAWSA-N 0 0 300.402 4.036 50 0 DIAARN CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1cccc(C)c1 ZINC000035622150 563873023 /nfs/dbraw/zinc/87/30/23/563873023.db2.gz DTYYWWROUVLSSX-LJQANCHMSA-N 0 0 321.428 4.016 50 0 DIAARN Cc1csc(NC(=O)CCCc2nc3ccccc3s2)n1 ZINC000012988290 563873319 /nfs/dbraw/zinc/87/33/19/563873319.db2.gz KYWRAMUUBOBTAV-UHFFFAOYSA-N 0 0 317.439 4.023 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012988587 563873408 /nfs/dbraw/zinc/87/34/08/563873408.db2.gz QMZWWGDNJBVARN-FZMZJTMJSA-N 0 0 314.351 4.083 50 0 DIAARN O=C(/C=C/c1ccccc1F)Nc1ccc(N2CCCCC2)cc1 ZINC000032999892 563873610 /nfs/dbraw/zinc/87/36/10/563873610.db2.gz CHVDBIVUOXWDEJ-MDWZMJQESA-N 0 0 324.399 4.468 50 0 DIAARN COc1ccccc1NC(=O)c1c(C)noc1-c1ccc(C)cc1 ZINC000035671971 563874006 /nfs/dbraw/zinc/87/40/06/563874006.db2.gz CVHOARWJYBEHRL-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C ZINC000001747951 563875067 /nfs/dbraw/zinc/87/50/67/563875067.db2.gz JANBFCARANRIKJ-UHFFFAOYSA-N 0 0 306.402 4.092 50 0 in-vitro DIAARN O=C(Nc1ccc(F)cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000013001391 563875083 /nfs/dbraw/zinc/87/50/83/563875083.db2.gz QBSOZADVDLUSPG-AWEZNQCLSA-N 0 0 320.364 4.323 50 0 DIAARN C[C@@H](NC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000013004122 563875177 /nfs/dbraw/zinc/87/51/77/563875177.db2.gz YYGWRRVEBRALCZ-SECBINFHSA-N 0 0 313.184 4.147 50 0 DIAARN C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000013007457 563875633 /nfs/dbraw/zinc/87/56/33/563875633.db2.gz WPHSTSSZUDIOIL-OAHLLOKOSA-N 0 0 321.420 4.016 50 0 DIAARN CC(C)(C)c1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000013007020 563875741 /nfs/dbraw/zinc/87/57/41/563875741.db2.gz UGFACSPPQOWDEB-UHFFFAOYSA-N 0 0 321.376 4.343 50 0 DIAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccncc1Cl ZINC000013013398 563876565 /nfs/dbraw/zinc/87/65/65/563876565.db2.gz KMBJXOGZAYBDSM-UHFFFAOYSA-N 0 0 315.587 4.223 50 0 DIAARN O=C(NCc1nc2ccccc2s1)[C@@H]1CCCc2ccccc21 ZINC000013019182 563876720 /nfs/dbraw/zinc/87/67/20/563876720.db2.gz UXPRVQHSCOVOBU-OAHLLOKOSA-N 0 0 322.433 4.033 50 0 DIAARN O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000013017954 563876781 /nfs/dbraw/zinc/87/67/81/563876781.db2.gz JMPUDDNWSXDKFL-UXHICEINSA-N 0 0 305.421 4.374 50 0 DIAARN Cc1ccsc1C(=O)Nc1cc(-c2cc[nH]n2)sc1C ZINC000075519242 563878721 /nfs/dbraw/zinc/87/87/21/563878721.db2.gz QRHXNNABXNUYEM-UHFFFAOYSA-N 0 0 303.412 4.069 50 0 DIAARN CC[C@H](C)c1ccc(NC(=S)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000239235441 563879710 /nfs/dbraw/zinc/87/97/10/563879710.db2.gz VZNJKBBAYIQBMP-WOSRLPQWSA-N 0 0 306.475 4.054 50 0 DIAARN C[C@@H](c1ccco1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000241588267 563880798 /nfs/dbraw/zinc/88/07/98/563880798.db2.gz PBLIJGIWJAGNAC-BLLLJJGKSA-N 0 0 323.339 4.016 50 0 DIAARN Cc1cccc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000241466151 563880848 /nfs/dbraw/zinc/88/08/48/563880848.db2.gz NVDSQEUHZKENKS-GJYPPUQNSA-N 0 0 308.425 4.015 50 0 DIAARN C[C@H]1CCN(C(=O)Nc2cccnc2Cl)[C@H](c2ccco2)C1 ZINC000075546537 563881524 /nfs/dbraw/zinc/88/15/24/563881524.db2.gz XPFJCFNCRZMIPY-AAEUAGOBSA-N 0 0 319.792 4.333 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2nccs2)o1 ZINC000075543878 563881672 /nfs/dbraw/zinc/88/16/72/563881672.db2.gz DUCTYXILZIICAP-JQWIXIFHSA-N 0 0 305.403 4.050 50 0 DIAARN CCOc1ccccc1NC(=O)CCc1cccc2[nH]ccc21 ZINC000075550471 563883404 /nfs/dbraw/zinc/88/34/04/563883404.db2.gz XVRIGYSXLKBRIK-UHFFFAOYSA-N 0 0 308.381 4.138 50 0 DIAARN COc1ccc(NC(=O)CCc2cccc3[nH]ccc32)c(C)c1 ZINC000075550513 563883557 /nfs/dbraw/zinc/88/35/57/563883557.db2.gz ZJSCHSBCZVKSHF-UHFFFAOYSA-N 0 0 308.381 4.056 50 0 DIAARN CCCCCCc1c(C)c2ccc(OC(C)=O)c(C)c2oc1=O ZINC000001902775 563883560 /nfs/dbraw/zinc/88/35/60/563883560.db2.gz NMUNDMYUQUORFB-UHFFFAOYSA-N 0 0 316.397 4.458 50 0 DIAARN CC(C)OCC[C@@H]1CCCCN1C(=O)Cc1ccccc1Cl ZINC000075610202 563884627 /nfs/dbraw/zinc/88/46/27/563884627.db2.gz RNAFYTWOBJGGFA-INIZCTEOSA-N 0 0 323.864 4.079 50 0 DIAARN Cc1cc(C)cc(OCCCCn2c(CO)nc3ccccc32)c1 ZINC000001926891 563886105 /nfs/dbraw/zinc/88/61/05/563886105.db2.gz BYAVYONESNBJET-UHFFFAOYSA-N 0 0 324.424 4.005 50 0 DIAARN Cc1ccc2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCCCCO3)O2 ZINC000000138837 563886535 /nfs/dbraw/zinc/88/65/35/563886535.db2.gz ZSQKNCKYNCQYFS-IBGZPJMESA-N 0 0 324.376 4.253 50 0 biogenic DIAARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccccc1 ZINC000000307021 563886850 /nfs/dbraw/zinc/88/68/50/563886850.db2.gz VHNOQIDBIAEENJ-UHFFFAOYSA-N 0 0 318.401 4.173 50 0 DIAARN CCc1c(C)c2ccc(OCc3cccc(OC)c3)cc2oc1=O ZINC000000488917 563887512 /nfs/dbraw/zinc/88/75/12/563887512.db2.gz OFTJIMZSNMZVDH-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN C[C@H]1CSC(SCc2cc(F)ccc2Br)=N1 ZINC000089523455 563889652 /nfs/dbraw/zinc/88/96/52/563889652.db2.gz HIHCXDLVSASAOZ-ZETCQYMHSA-N 0 0 320.252 4.313 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)n1ncc2cc(C)ccc21 ZINC000064662549 563892326 /nfs/dbraw/zinc/89/23/26/563892326.db2.gz LIWIRTYSMNIYFU-UHFFFAOYSA-N 0 0 315.760 4.087 50 0 DIAARN COC(=O)c1cc2ccsc2n1Cc1ccccc1Cl ZINC000064659204 563892338 /nfs/dbraw/zinc/89/23/38/563892338.db2.gz CXJKVOLOOGZFSF-UHFFFAOYSA-N 0 0 305.786 4.191 50 0 DIAARN O=C(NCc1cccnc1-c1ccccc1)Nc1cccc(F)c1 ZINC000064755988 563892884 /nfs/dbraw/zinc/89/28/84/563892884.db2.gz GBEDGAVKRDTPPB-UHFFFAOYSA-N 0 0 321.355 4.209 50 0 DIAARN Cc1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1 ZINC000064818548 563894055 /nfs/dbraw/zinc/89/40/55/563894055.db2.gz DPEAHBGWRPWFLC-UHFFFAOYSA-N 0 0 320.396 4.107 50 0 DIAARN CCC1=Nc2cc(C(=O)NC)ccc2Sc2ccc(C)cc21 ZINC000006728568 563894081 /nfs/dbraw/zinc/89/40/81/563894081.db2.gz IYMBXDCEFWVEMU-UHFFFAOYSA-N 0 0 310.422 4.350 50 0 DIAARN CC(C)[C@H](CC[NH+]1CCN(c2ccccc2)CC1)c1ccco1 ZINC000006719142 563894124 /nfs/dbraw/zinc/89/41/24/563894124.db2.gz FOFSQGNEOJLYPD-IBGZPJMESA-N 0 0 312.457 4.232 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000006745655 563894825 /nfs/dbraw/zinc/89/48/25/563894825.db2.gz JKUUZQVGGIOKER-INIZCTEOSA-N 0 0 318.779 4.321 50 0 DIAARN O=C(c1cccs1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000207960424 563895322 /nfs/dbraw/zinc/89/53/22/563895322.db2.gz QCLHUQQXVJVFIX-CQSZACIVSA-N 0 0 303.402 4.297 50 0 DIAARN O=C(NC1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000036348905 563895359 /nfs/dbraw/zinc/89/53/59/563895359.db2.gz IMTYQPUBLDWUCW-UHFFFAOYSA-N 0 0 314.816 4.465 50 0 DIAARN Cc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2ccc(C)c(C)c2)C(=O)N1 ZINC000006819160 563895447 /nfs/dbraw/zinc/89/54/47/563895447.db2.gz RRNXNBFZKLCBNW-PXNSSMCTSA-N 0 0 322.408 4.381 50 0 DIAARN CC(C)c1nc2ccc(C(=O)NCc3cccc(F)c3)cc2o1 ZINC000064968410 563895581 /nfs/dbraw/zinc/89/55/81/563895581.db2.gz WQKBVHZYTOKZAA-UHFFFAOYSA-N 0 0 312.344 4.020 50 0 DIAARN CC(C)n1cccc1C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000156146495 563895600 /nfs/dbraw/zinc/89/56/00/563895600.db2.gz ZHYWNPPYPWHROI-KRWDZBQOSA-N 0 0 310.441 4.335 50 0 DIAARN O=C(Nc1cccc(Cl)c1)c1cccc2c1SCCC2=O ZINC000006841425 563896403 /nfs/dbraw/zinc/89/64/03/563896403.db2.gz KBPFQTRXROJGTC-UHFFFAOYSA-N 0 0 317.797 4.271 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c(C)c1 ZINC000006842803 563896742 /nfs/dbraw/zinc/89/67/42/563896742.db2.gz VHOFBLBKISQBBT-OAHLLOKOSA-N 0 0 310.397 4.431 50 0 DIAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCc1ccsc1 ZINC000036394809 563898362 /nfs/dbraw/zinc/89/83/62/563898362.db2.gz OHDYWSXXKSRAJK-LBPRGKRZSA-N 0 0 307.846 4.082 50 0 DIAARN O=C(CSc1cccc2cccnc21)NCC1CCCCC1 ZINC000006882241 563898418 /nfs/dbraw/zinc/89/84/18/563898418.db2.gz SMWXMGIPRJYLMW-UHFFFAOYSA-N 0 0 314.454 4.023 50 0 DIAARN C[C@@H](NC(=O)CCc1ccccc1)c1cccc(OC(F)F)c1 ZINC000036394304 563898464 /nfs/dbraw/zinc/89/84/64/563898464.db2.gz HQHNWHWTDFYVGA-CYBMUJFWSA-N 0 0 319.351 4.098 50 0 DIAARN CCN(C(=O)c1ccc(C)s1)[C@H](C)c1cccc(OC)c1 ZINC000036396706 563898666 /nfs/dbraw/zinc/89/86/66/563898666.db2.gz SAEFUKBQHJRRCC-CYBMUJFWSA-N 0 0 303.427 4.288 50 0 DIAARN Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C)cc1 ZINC000006913144 563899147 /nfs/dbraw/zinc/89/91/47/563899147.db2.gz QOMMBWNRJNEQIW-UHFFFAOYSA-N 0 0 313.401 4.222 50 0 DIAARN O=C(Oc1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2o1 ZINC000008007822 563899244 /nfs/dbraw/zinc/89/92/44/563899244.db2.gz KJYMLZQCAJDTSD-UHFFFAOYSA-N 0 0 316.696 4.034 50 0 DIAARN Fc1cc(F)cc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c1 ZINC000065137142 563899759 /nfs/dbraw/zinc/89/97/59/563899759.db2.gz DGXFJBDBRCVZIG-UHFFFAOYSA-N 0 0 324.290 4.072 50 0 DIAARN CCc1nc2cc(-c3noc(-c4sccc4C)n3)ccc2o1 ZINC000065149713 563899834 /nfs/dbraw/zinc/89/98/34/563899834.db2.gz YVHJSOBJBNQWIH-UHFFFAOYSA-N 0 0 311.366 4.477 50 0 DIAARN CCOc1ccccc1C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153178 563900383 /nfs/dbraw/zinc/90/03/83/563900383.db2.gz DOSLLJZEJXQBPB-UHFFFAOYSA-N 0 0 314.366 4.054 50 0 DIAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1 ZINC000007003094 563901168 /nfs/dbraw/zinc/90/11/68/563901168.db2.gz YPCGXKOAYDSPAJ-INIZCTEOSA-N 0 0 323.440 4.116 50 0 DIAARN NC(=O)c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000007022603 563901403 /nfs/dbraw/zinc/90/14/03/563901403.db2.gz UFUHRLSMMAGEIL-UHFFFAOYSA-N 0 0 311.768 4.171 50 0 DIAARN Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000013131994 563901537 /nfs/dbraw/zinc/90/15/37/563901537.db2.gz VIVMQQYSOXXQFG-JKSUJKDBSA-N 0 0 310.788 4.078 50 0 DIAARN Cc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112581 563902922 /nfs/dbraw/zinc/90/29/22/563902922.db2.gz MAHIJSQRGXDNLB-LJQANCHMSA-N 0 0 318.376 4.355 50 0 DIAARN Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112646 563902925 /nfs/dbraw/zinc/90/29/25/563902925.db2.gz XANRNMYEPSUMKT-KRWDZBQOSA-N 0 0 324.405 4.416 50 0 DIAARN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000002841439 563903040 /nfs/dbraw/zinc/90/30/40/563903040.db2.gz JMNQYDKGYHLAMY-UHFFFAOYSA-N 0 0 309.390 4.154 50 0 DIAARN CC[C@H](C(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1 ZINC000036763259 563903973 /nfs/dbraw/zinc/90/39/73/563903973.db2.gz BGDJTPOEVMYSAE-KRWDZBQOSA-N 0 0 305.381 4.209 50 0 DIAARN Cc1csc(S[C@H](C)C(=O)c2c[nH]c3ccccc32)n1 ZINC000007195701 563904203 /nfs/dbraw/zinc/90/42/03/563904203.db2.gz ZQZKZOHPSKKPRY-SNVBAGLBSA-N 0 0 302.424 4.296 50 0 DIAARN Cc1csc(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)n1 ZINC000007195700 563904341 /nfs/dbraw/zinc/90/43/41/563904341.db2.gz ZQZKZOHPSKKPRY-JTQLQIEISA-N 0 0 302.424 4.296 50 0 DIAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000007223226 563904600 /nfs/dbraw/zinc/90/46/00/563904600.db2.gz URHMQCPDZUAEKS-LLVKDONJSA-N 0 0 306.768 4.227 50 0 DIAARN C[C@H]1CN(c2cc(-c3ccccc3)c3ccccc3n2)CCO1 ZINC000065515821 563905098 /nfs/dbraw/zinc/90/50/98/563905098.db2.gz XNUSTRBYDCGTLE-HNNXBMFYSA-N 0 0 304.393 4.127 50 0 DIAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCCC1 ZINC000007378138 563905346 /nfs/dbraw/zinc/90/53/46/563905346.db2.gz PMFNDIBNANTDJI-NSHDSACASA-N 0 0 315.244 4.196 50 0 DIAARN c1ccc(OCCCn2c3ccccc3nc2[C@H]2CCCO2)cc1 ZINC000007343601 563905369 /nfs/dbraw/zinc/90/53/69/563905369.db2.gz RTESZEKANIAJBC-LJQANCHMSA-N 0 0 322.408 4.357 50 0 DIAARN COc1ccccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000007339360 563905460 /nfs/dbraw/zinc/90/54/60/563905460.db2.gz WEMCDCSAAXMWCP-UHFFFAOYSA-N 0 0 323.392 4.243 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(C)c2C)c1C ZINC000007370195 563905463 /nfs/dbraw/zinc/90/54/63/563905463.db2.gz LHXAVZWWSVOYGG-AWEZNQCLSA-N 0 0 312.413 4.134 50 0 DIAARN Fc1ccc(CNC(=S)Nc2ccc3ccccc3c2)cc1 ZINC000007350824 563905464 /nfs/dbraw/zinc/90/54/64/563905464.db2.gz DZUAFWATEIPGNC-UHFFFAOYSA-N 0 0 310.397 4.466 50 0 DIAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000007402298 563906078 /nfs/dbraw/zinc/90/60/78/563906078.db2.gz FNGPOCXYRUPWEI-LBPRGKRZSA-N 0 0 307.390 4.140 50 0 DIAARN c1cc2c(cc1NCCC13CC4CC(CC(C4)C1)C3)OCCO2 ZINC000170597631 563906976 /nfs/dbraw/zinc/90/69/76/563906976.db2.gz PITDTXNEICMUIL-UHFFFAOYSA-N 0 0 313.441 4.476 50 0 DIAARN Cc1ccc(CCNC(=O)Nc2c(F)cccc2Cl)cc1 ZINC000170594551 563907166 /nfs/dbraw/zinc/90/71/66/563907166.db2.gz HLGZMTTZESZLCN-UHFFFAOYSA-N 0 0 306.768 4.152 50 0 DIAARN CC(C)CCNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000007526392 563907978 /nfs/dbraw/zinc/90/79/78/563907978.db2.gz IMWVMTNNMAQAPH-UHFFFAOYSA-N 0 0 304.431 4.334 50 0 DIAARN Cc1ccc(SCC(=O)c2ccc3c(c2)OCO3)cc1C ZINC000007536256 563908000 /nfs/dbraw/zinc/90/80/00/563908000.db2.gz DSXQASFDSHCGLM-UHFFFAOYSA-N 0 0 300.379 4.007 50 0 DIAARN COCc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000007525917 563908064 /nfs/dbraw/zinc/90/80/64/563908064.db2.gz VGQDGVXGOXRWHX-UHFFFAOYSA-N 0 0 319.788 4.056 50 0 DIAARN CCOc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(C)=O)c1 ZINC000170612445 563908150 /nfs/dbraw/zinc/90/81/50/563908150.db2.gz IYPUSKDRQRBGPP-FQEVSTJZSA-N 0 0 322.408 4.091 50 0 DIAARN CC(C)C(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 ZINC000170618139 563908292 /nfs/dbraw/zinc/90/82/92/563908292.db2.gz RTYGFROADHRFHU-CQSZACIVSA-N 0 0 304.440 4.143 50 0 DIAARN Cc1ccc(C(C)(C)C)c(OCc2noc(C3CC3)n2)c1F ZINC000170618766 563908360 /nfs/dbraw/zinc/90/83/60/563908360.db2.gz SCMVESAYKPZDCK-UHFFFAOYSA-N 0 0 304.365 4.271 50 0 DIAARN C[C@@H](SC1=N[C@H](C)CS1)c1noc(-c2ccccc2)n1 ZINC000170615499 563908377 /nfs/dbraw/zinc/90/83/77/563908377.db2.gz PWZSZEQQVAXZIW-NXEZZACHSA-N 0 0 305.428 4.022 50 0 DIAARN CC(=O)c1ccc(O[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000170616295 563908422 /nfs/dbraw/zinc/90/84/22/563908422.db2.gz IHCRYMURHLKDRB-ZDUSSCGKSA-N 0 0 308.337 4.079 50 0 DIAARN Cc1c2ccccc2n(C)c1CNc1nnc(CCC(C)C)o1 ZINC000170618587 563908489 /nfs/dbraw/zinc/90/84/89/563908489.db2.gz BXSDIWFRKSQBKD-UHFFFAOYSA-N 0 0 312.417 4.070 50 0 DIAARN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(F)cc1Cl ZINC000071214827 563909030 /nfs/dbraw/zinc/90/90/30/563909030.db2.gz FNDFURCYUHIFBC-UHFFFAOYSA-N 0 0 304.752 4.090 50 0 DIAARN O=C(CCSc1ccccc1)Nc1ccc2scnc2c1 ZINC000010217581 563909233 /nfs/dbraw/zinc/90/92/33/563909233.db2.gz WURXXDUHPNJPCK-UHFFFAOYSA-N 0 0 314.435 4.417 50 0 DIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(F)cc2F)S1 ZINC000071287250 563909298 /nfs/dbraw/zinc/90/92/98/563909298.db2.gz IUWPDRYFJGQNOT-CYBMUJFWSA-N 0 0 323.368 4.334 50 0 DIAARN CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004532987 563909757 /nfs/dbraw/zinc/90/97/57/563909757.db2.gz YLFRRPUBVUAHSR-UVHAVTLWSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccccc1Br ZINC000013746094 563910046 /nfs/dbraw/zinc/91/00/46/563910046.db2.gz WQDDVCOCULEYHJ-GHMZBOCLSA-N 0 0 311.223 4.244 50 0 DIAARN O=C(NCC1(c2cccs2)CCCC1)c1cccc(F)c1 ZINC000013803132 563910090 /nfs/dbraw/zinc/91/00/90/563910090.db2.gz OPMINPQLWVBUEZ-UHFFFAOYSA-N 0 0 303.402 4.129 50 0 DIAARN C[C@H](NC(=S)NC1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000013774871 563910094 /nfs/dbraw/zinc/91/00/94/563910094.db2.gz SZYIYIDATVLBRR-ZDUSSCGKSA-N 0 0 304.503 4.452 50 0 DIAARN O=C(NCCSc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000014527217 563910568 /nfs/dbraw/zinc/91/05/68/563910568.db2.gz DSOPGINASQPBFE-UHFFFAOYSA-N 0 0 315.482 4.111 50 0 DIAARN C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3nccs3)c2C1 ZINC000014461905 563910673 /nfs/dbraw/zinc/91/06/73/563910673.db2.gz INEJHAFQSOILJA-NSHDSACASA-N 0 0 323.421 4.068 50 0 DIAARN Cc1ccc([C@H](NC(=O)c2ccncc2)c2ccccc2)cc1C ZINC000014596876 563910674 /nfs/dbraw/zinc/91/06/74/563910674.db2.gz BRVZMYZOOVYYLR-HXUWFJFHSA-N 0 0 316.404 4.218 50 0 DIAARN Cc1cc(CS[C@H](C)c2nc(-c3ccccc3)no2)on1 ZINC000089608705 563910800 /nfs/dbraw/zinc/91/08/00/563910800.db2.gz ZYIAEAIIQGAHNG-LLVKDONJSA-N 0 0 301.371 4.027 50 0 DIAARN Cc1csc(N(C(=O)c2cccc3ccc(C)nc32)C2CC2)n1 ZINC000089665937 563910859 /nfs/dbraw/zinc/91/08/59/563910859.db2.gz IBDRJHCTJDKNJW-UHFFFAOYSA-N 0 0 323.421 4.117 50 0 DIAARN c1cc2c(cccc2CNc2cccc(Oc3cnccn3)c2)[nH]1 ZINC000089780735 563911298 /nfs/dbraw/zinc/91/12/98/563911298.db2.gz QXFGTEPJYSFMBO-UHFFFAOYSA-N 0 0 316.364 4.362 50 0 DIAARN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000089774593 563911342 /nfs/dbraw/zinc/91/13/42/563911342.db2.gz LHKULIIYYBBOJO-HUUCEWRRSA-N 0 0 317.841 4.090 50 0 DIAARN CC[C@H](NC(=O)C(F)=C(C)C)c1ccccc1OC(F)F ZINC000089947924 563912558 /nfs/dbraw/zinc/91/25/58/563912558.db2.gz ISCBORUXCFHGPP-NSHDSACASA-N 0 0 301.308 4.119 50 0 DIAARN CCN(CC)c1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000000057792 563912720 /nfs/dbraw/zinc/91/27/20/563912720.db2.gz LPGQJMGJXIZHRI-UHFFFAOYSA-N 0 0 323.392 4.315 50 0 biogenic,in-vitro DIAARN CC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000007968848 563913855 /nfs/dbraw/zinc/91/38/55/563913855.db2.gz MIYDDAHVFPWCGD-UHFFFAOYSA-N 0 0 307.271 4.160 50 0 DIAARN COC(=O)C(C)(C)c1nc(-c2ccc(C)cc2C)sc1C ZINC000241316826 563913970 /nfs/dbraw/zinc/91/39/70/563913970.db2.gz LVFCHGZIARHJJA-UHFFFAOYSA-N 0 0 303.427 4.186 50 0 DIAARN CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 ZINC000000532227 563913983 /nfs/dbraw/zinc/91/39/83/563913983.db2.gz FZZJLXGCDHTXLG-UHFFFAOYSA-N 0 0 313.426 4.467 50 0 DIAARN Cc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c(Cl)c1 ZINC000007587652 563914131 /nfs/dbraw/zinc/91/41/31/563914131.db2.gz YEOKKLRVJWUMMZ-ZDUSSCGKSA-N 0 0 314.816 4.038 50 0 DIAARN CCc1cccc(CC)c1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000007587649 563914132 /nfs/dbraw/zinc/91/41/32/563914132.db2.gz BAYUJCPDWXFZHN-OAHLLOKOSA-N 0 0 322.452 4.201 50 0 DIAARN Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000035654129 563914793 /nfs/dbraw/zinc/91/47/93/563914793.db2.gz CYISWQZYBSHTNN-UHFFFAOYSA-N 0 0 324.387 4.455 50 0 DIAARN CC(=O)c1cc(Cl)c(Cl)cc1OCc1ncc(C)o1 ZINC000193102156 563915013 /nfs/dbraw/zinc/91/50/13/563915013.db2.gz XGDJEOOTXUAQLM-UHFFFAOYSA-N 0 0 300.141 4.071 50 0 DIAARN CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000000278069 563915462 /nfs/dbraw/zinc/91/54/62/563915462.db2.gz XBCWJYKTCSNDMA-AZUAARDMSA-N 0 0 322.408 4.365 50 0 DIAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1F ZINC000000388958 563915484 /nfs/dbraw/zinc/91/54/84/563915484.db2.gz RBPWPEOVTKDSLP-UHFFFAOYSA-N 0 0 319.335 4.309 50 0 DIAARN Cc1ccc(C)c(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 ZINC000007595825 563915489 /nfs/dbraw/zinc/91/54/89/563915489.db2.gz PCCZLTPVAKSWKA-UHFFFAOYSA-N 0 0 324.811 4.229 50 0 DIAARN CCc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1 ZINC000007595877 563915502 /nfs/dbraw/zinc/91/55/02/563915502.db2.gz HUNOGCHSQFURSZ-UHFFFAOYSA-N 0 0 318.420 4.138 50 0 DIAARN Fc1ccc(CNc2ncnc3cc(F)c(F)cc32)cc1Cl ZINC000170642815 563915651 /nfs/dbraw/zinc/91/56/51/563915651.db2.gz LZKCNKCQIHKYNN-UHFFFAOYSA-N 0 0 323.705 4.313 50 0 DIAARN Fc1ccc(Oc2cc(N3CCCCCC3)ncn2)c(Cl)c1 ZINC000037378274 563916523 /nfs/dbraw/zinc/91/65/23/563916523.db2.gz XDZFCDBQDRMDIV-UHFFFAOYSA-N 0 0 321.783 4.442 50 0 DIAARN COc1c2ccccc2oc1C(=O)Nc1ccc(OC)cc1C ZINC000252509613 563916540 /nfs/dbraw/zinc/91/65/40/563916540.db2.gz YRNMAZWTAQPXBD-UHFFFAOYSA-N 0 0 311.337 4.011 50 0 DIAARN Cc1ccoc1C(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000153555457 563916816 /nfs/dbraw/zinc/91/68/16/563916816.db2.gz ATOJEAHMMUQMPO-UHFFFAOYSA-N 0 0 310.231 4.000 50 0 DIAARN CSCc1nnc(S[C@H]2CCCCc3ccccc32)o1 ZINC000170650886 563916865 /nfs/dbraw/zinc/91/68/65/563916865.db2.gz XNRWMOZDBLSWMG-ZDUSSCGKSA-N 0 0 306.456 4.492 50 0 DIAARN Cc1nc(S[C@H](C)OC(=O)OC(C)C)n(CC(C)C)c1C ZINC000170652041 563916994 /nfs/dbraw/zinc/91/69/94/563916994.db2.gz ZVJGXUQATVKSLX-CYBMUJFWSA-N 0 0 314.451 4.156 50 0 DIAARN O=C(c1ccn(C2CCCC2)n1)N1CCCC[C@@H]2CCCC[C@@H]21 ZINC000252532869 563917004 /nfs/dbraw/zinc/91/70/04/563917004.db2.gz FJCCQXHUKZSPCI-YJBOKZPZSA-N 0 0 315.461 4.183 50 0 DIAARN O=C(NC1CCCCC1)c1ccccc1OCc1ccccc1 ZINC000007609040 563917173 /nfs/dbraw/zinc/91/71/73/563917173.db2.gz KDQYEQMHLSVUQW-UHFFFAOYSA-N 0 0 309.409 4.328 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)C1(C)C ZINC000252587048 563917198 /nfs/dbraw/zinc/91/71/98/563917198.db2.gz VHXQRCXATDGOSM-VQHPVUNQSA-N 0 0 321.505 4.182 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(-n2cccc2)nc1 ZINC000170657035 563917258 /nfs/dbraw/zinc/91/72/58/563917258.db2.gz KFRHAEVWCCSSGZ-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN Cc1nnc([C@H](C)Sc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000194582532 563917788 /nfs/dbraw/zinc/91/77/88/563917788.db2.gz SGJLISFENHILLI-YFKPBYRVSA-N 0 0 323.727 4.299 50 0 DIAARN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCC1 ZINC000007700069 563917896 /nfs/dbraw/zinc/91/78/96/563917896.db2.gz YTTPSVHEUDFXQK-UHFFFAOYSA-N 0 0 315.800 4.155 50 0 DIAARN Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(C)C ZINC000007738134 563918482 /nfs/dbraw/zinc/91/84/82/563918482.db2.gz LYVWRCAZGHLQNR-UHFFFAOYSA-N 0 0 318.442 4.287 50 0 DIAARN Cc1nnc(NC(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000007735107 563918485 /nfs/dbraw/zinc/91/84/85/563918485.db2.gz IVIVHMVQYQHACB-UHFFFAOYSA-N 0 0 301.415 4.147 50 0 DIAARN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1F ZINC000007755794 563918697 /nfs/dbraw/zinc/91/86/97/563918697.db2.gz FAWTWBRUNZOWEU-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN COc1ccc2cc(CN(C)C(=O)c3ccccc3)ccc2c1 ZINC000007742342 563918729 /nfs/dbraw/zinc/91/87/29/563918729.db2.gz FGOGHQMFGBKGOV-UHFFFAOYSA-N 0 0 305.377 4.121 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1C ZINC000007756703 563918767 /nfs/dbraw/zinc/91/87/67/563918767.db2.gz PVVVUICCIPYINW-GXTWGEPZSA-N 0 0 300.427 4.330 50 0 DIAARN CCc1cccc2c(-c3csc(N[C@@H](C)COC)n3)c[nH]c21 ZINC000007763395 563918895 /nfs/dbraw/zinc/91/88/95/563918895.db2.gz XZTLWKQQXZTNSP-NSHDSACASA-N 0 0 315.442 4.301 50 0 DIAARN CCCCc1nc2sc3c(ncnc3OC)c2c2c1CCC2 ZINC000002212750 563918945 /nfs/dbraw/zinc/91/89/45/563918945.db2.gz DAIIDPTZMBRZNO-UHFFFAOYSA-N 0 0 313.426 4.079 50 0 DIAARN O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Cl)cc1 ZINC000007780250 563919135 /nfs/dbraw/zinc/91/91/35/563919135.db2.gz PEXPEJIZLDTJGR-UHFFFAOYSA-N 0 0 322.113 4.222 50 0 DIAARN Cc1cc(C(=O)N[C@@H]2CCSc3ccccc32)c(C)s1 ZINC000007779384 563919062 /nfs/dbraw/zinc/91/90/62/563919062.db2.gz BFYOPIMPVUBKDF-CQSZACIVSA-N 0 0 303.452 4.332 50 0 DIAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc2ncccc2c1 ZINC000195253128 563919067 /nfs/dbraw/zinc/91/90/67/563919067.db2.gz ZWFIKCKJGMIKAQ-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN CCN(CC)C(=S)SCc1ncc(-c2ccccc2)o1 ZINC000007780535 563919129 /nfs/dbraw/zinc/91/91/29/563919129.db2.gz UGYOXUPYJYNEJU-UHFFFAOYSA-N 0 0 306.456 4.202 50 0 DIAARN Cc1ccc(C)c([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 ZINC000007785785 563919293 /nfs/dbraw/zinc/91/92/93/563919293.db2.gz BLFUDQBPMQQOBE-MSOLQXFVSA-N 0 0 304.397 4.041 50 0 DIAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCCC1 ZINC000007794125 563919437 /nfs/dbraw/zinc/91/94/37/563919437.db2.gz DBDULRSZBFWIOL-UHFFFAOYSA-N 0 0 314.351 4.290 50 0 DIAARN c1ccc(-c2nsc(N[C@@H]3CCO[C@H]3c3ccccc3)n2)cc1 ZINC000195533516 563919644 /nfs/dbraw/zinc/91/96/44/563919644.db2.gz QJBYPLUWEPHYEQ-CVEARBPZSA-N 0 0 323.421 4.147 50 0 DIAARN Cc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)nc2ccccc12 ZINC000195624009 563919943 /nfs/dbraw/zinc/91/99/43/563919943.db2.gz HJIQUJGNFPCGPU-GOSISDBHSA-N 0 0 320.367 4.100 50 0 DIAARN CCCSc1nc2sc3c(c2c(N)n1)C[C@@H](CCC)OC3 ZINC000002223668 563920017 /nfs/dbraw/zinc/92/00/17/563920017.db2.gz ROWJZBKMVVNVGF-SECBINFHSA-N 0 0 323.487 4.017 50 0 DIAARN C[C@H](NC(=O)CSC1CCCC1)c1ccc2c(c1)CCCC2 ZINC000007817491 563920019 /nfs/dbraw/zinc/92/00/19/563920019.db2.gz OIRFWQZGFIRWBY-AWEZNQCLSA-N 0 0 317.498 4.418 50 0 DIAARN CSc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000007814308 563920024 /nfs/dbraw/zinc/92/00/24/563920024.db2.gz IZAGUXIIWSKARZ-CQSZACIVSA-N 0 0 315.463 4.375 50 0 DIAARN Cc1nc(NC2CCCC2)sc1C(=O)Nc1ccccc1 ZINC000007843288 563920071 /nfs/dbraw/zinc/92/00/71/563920071.db2.gz UWTPONPZYMSYBA-UHFFFAOYSA-N 0 0 301.415 4.058 50 0 DIAARN CCCCCc1cc(O)cc(O)c1C(=O)OCc1ccccc1 ZINC000196327859 563920254 /nfs/dbraw/zinc/92/02/54/563920254.db2.gz FURJJYWNPJDYDH-UHFFFAOYSA-N 0 0 314.381 4.188 50 0 DIAARN C[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccco1 ZINC000007908033 563920406 /nfs/dbraw/zinc/92/04/06/563920406.db2.gz JXSDMINIRFHOGW-ZDUSSCGKSA-N 0 0 316.364 4.458 50 0 DIAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cccc(C)c1 ZINC000002721112 563920830 /nfs/dbraw/zinc/92/08/30/563920830.db2.gz ZPNBKXNNOGMCTM-UHFFFAOYSA-N 0 0 324.449 4.307 50 0 DIAARN CCCCN(CC)c1nc(-c2ccncc2)nc2ccccc21 ZINC000002251028 563920848 /nfs/dbraw/zinc/92/08/48/563920848.db2.gz VRBWSSVDTNUOLY-UHFFFAOYSA-N 0 0 306.413 4.318 50 0 DIAARN CCCCSc1nc2sc3c(c2c(N)n1)C[C@@H](C)CC3 ZINC000002271183 563921024 /nfs/dbraw/zinc/92/10/24/563921024.db2.gz DBCAXWXCUHTHFN-VIFPVBQESA-N 0 0 307.488 4.291 50 0 DIAARN C/C(C=NNC(=O)c1cccnc1)=C/c1ccc(C(C)C)cc1 ZINC000027520050 563921097 /nfs/dbraw/zinc/92/10/97/563921097.db2.gz LORLVGQOFBOXFV-QHIPEDTBSA-N 0 0 307.397 4.024 50 0 DIAARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccsc2)c(Cl)c1 ZINC000007927145 563921102 /nfs/dbraw/zinc/92/11/02/563921102.db2.gz BQMZHPUVSRHULV-UHFFFAOYSA-N 0 0 322.861 4.089 50 0 DIAARN CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccccc1 ZINC000002283389 563924910 /nfs/dbraw/zinc/92/49/10/563924910.db2.gz XYAUTAKAOZYYTJ-OAHLLOKOSA-N 0 0 300.335 4.216 50 0 DIAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCSCC1 ZINC000253416947 563924978 /nfs/dbraw/zinc/92/49/78/563924978.db2.gz WJHHLNKZGXHUQC-UHFFFAOYSA-N 0 0 323.767 4.441 50 0 DIAARN Cc1[nH]ccc1C(=O)N1CCC(Sc2ccc(C)cc2)CC1 ZINC000584885132 563925299 /nfs/dbraw/zinc/92/52/99/563925299.db2.gz MUFRRVVIKPBPFJ-UHFFFAOYSA-N 0 0 314.454 4.028 50 0 DIAARN COc1ccc(Cc2nc(C3CC3)n(C3CCCCC3)n2)cc1 ZINC000584886876 563925346 /nfs/dbraw/zinc/92/53/46/563925346.db2.gz JJCHMPYFLUMKEE-UHFFFAOYSA-N 0 0 311.429 4.260 50 0 DIAARN COc1ccc(N[C@H](c2ccccc2)P(=O)(OC)OC)cc1 ZINC000002311422 563925954 /nfs/dbraw/zinc/92/59/54/563925954.db2.gz RFFJWFUHZSACJP-INIZCTEOSA-N 0 0 321.313 4.292 50 0 DIAARN CCOc1ccccc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000253473070 563926404 /nfs/dbraw/zinc/92/64/04/563926404.db2.gz RFHODCBTTYAIES-AWEZNQCLSA-N 0 0 323.392 4.193 50 0 DIAARN CCCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12 ZINC000002356431 563927257 /nfs/dbraw/zinc/92/72/57/563927257.db2.gz UWNOUKFOIDDBHD-UHFFFAOYSA-N 0 0 310.401 4.042 50 0 DIAARN Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 ZINC000027795902 563927908 /nfs/dbraw/zinc/92/79/08/563927908.db2.gz MQZZXRYQVDBQBV-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H]1CCc2ccccc21 ZINC000027818222 563928050 /nfs/dbraw/zinc/92/80/50/563928050.db2.gz JLNROCBHQQRRAW-RORWEDLISA-N 0 0 311.812 4.499 50 0 DIAARN O=C(NC1CCCCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000014269584 563928557 /nfs/dbraw/zinc/92/85/57/563928557.db2.gz VSGBNPVKBLHUCG-UHFFFAOYSA-N 0 0 317.820 4.183 50 0 DIAARN CSc1ccc(OCc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000012903600 563929184 /nfs/dbraw/zinc/92/91/84/563929184.db2.gz FLODYLNUAMSFRS-UHFFFAOYSA-N 0 0 316.357 4.177 50 0 DIAARN CCc1ccc(NC(=O)CNc2cccc3ccccc32)cc1 ZINC000007955284 563929450 /nfs/dbraw/zinc/92/94/50/563929450.db2.gz WMELKXADFYYLFC-UHFFFAOYSA-N 0 0 304.393 4.453 50 0 DIAARN COc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 ZINC000013426605 563929472 /nfs/dbraw/zinc/92/94/72/563929472.db2.gz AICCTRQMPYATGZ-UHFFFAOYSA-N 0 0 316.426 4.338 50 0 DIAARN Cc1cccc(C)c1NC(=O)CNc1cccc(C(F)(F)F)c1 ZINC000007955805 563929622 /nfs/dbraw/zinc/92/96/22/563929622.db2.gz BXOWKEFFLJCCOJ-UHFFFAOYSA-N 0 0 322.330 4.373 50 0 DIAARN CC(C)(C)[C@H]1CCCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000078759396 563929810 /nfs/dbraw/zinc/92/98/10/563929810.db2.gz BIFSIJLYADAHJT-ZDUSSCGKSA-N 0 0 317.399 4.094 50 0 DIAARN Cc1csc(C2(NC(=O)Nc3cccc(F)c3)CCCC2)n1 ZINC000078821447 563929986 /nfs/dbraw/zinc/92/99/86/563929986.db2.gz RJOFFLBZCGOMGD-UHFFFAOYSA-N 0 0 319.405 4.182 50 0 DIAARN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC000079092668 563930218 /nfs/dbraw/zinc/93/02/18/563930218.db2.gz YWWUDDPRKZOTSE-NSHDSACASA-N 0 0 324.302 4.113 50 0 DIAARN C[C@@H](CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC000079092692 563930342 /nfs/dbraw/zinc/93/03/42/563930342.db2.gz YSVPQHZYNCGEPO-INIZCTEOSA-N 0 0 323.440 4.204 50 0 DIAARN Cc1ncc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000390833247 563930727 /nfs/dbraw/zinc/93/07/27/563930727.db2.gz FEPHLEZPBUPSJL-UHFFFAOYSA-N 0 0 320.723 4.376 50 0 DIAARN Cc1nc2cc(Cl)c(NC(=O)c3cncc(F)c3)cc2s1 ZINC000390834086 563930818 /nfs/dbraw/zinc/93/08/18/563930818.db2.gz RQBCOTGLUMRPTR-UHFFFAOYSA-N 0 0 321.764 4.045 50 0 DIAARN C[C@H](OC(=O)Cc1cccs1)c1nc2ccccc2s1 ZINC000095347409 563931214 /nfs/dbraw/zinc/93/12/14/563931214.db2.gz CBXIQODGXVQZSJ-JTQLQIEISA-N 0 0 303.408 4.205 50 0 DIAARN CN(C)c1ccc(N(C)C(=O)Cc2ccc3ccccc3c2)cc1 ZINC000095349786 563931225 /nfs/dbraw/zinc/93/12/25/563931225.db2.gz QADXUFFJMQDCDM-UHFFFAOYSA-N 0 0 318.420 4.111 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccco3)cc2)oc1C ZINC000095381746 563931297 /nfs/dbraw/zinc/93/12/97/563931297.db2.gz QSJTWJQRWGNVCR-JKSUJKDBSA-N 0 0 322.364 4.294 50 0 DIAARN CN(C(=O)c1cnc(C2CC2)s1)c1ccc2ccccc2c1 ZINC000095948365 563932233 /nfs/dbraw/zinc/93/22/33/563932233.db2.gz ATIOKVNOQHRJTC-UHFFFAOYSA-N 0 0 308.406 4.450 50 0 DIAARN CCOCC1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000095959026 563932491 /nfs/dbraw/zinc/93/24/91/563932491.db2.gz LNLKYZMCKHYEMN-NVXWUHKLSA-N 0 0 309.494 4.114 50 0 DIAARN Cc1nc(NC(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)oc1C ZINC000095960020 563932497 /nfs/dbraw/zinc/93/24/97/563932497.db2.gz FPDPIPSJLJRCHM-HNNXBMFYSA-N 0 0 315.417 4.070 50 0 DIAARN Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(C)(C)C)oc1C ZINC000095960021 563932594 /nfs/dbraw/zinc/93/25/94/563932594.db2.gz FPDPIPSJLJRCHM-OAHLLOKOSA-N 0 0 315.417 4.070 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc2[nH]ccc2c1 ZINC000095959227 563932606 /nfs/dbraw/zinc/93/26/06/563932606.db2.gz YPQGMJDRWFPBDU-CABCVRRESA-N 0 0 321.424 4.154 50 0 DIAARN C[C@@H](Nc1ncc(Cl)cn1)c1ccccc1Br ZINC000095963388 563932711 /nfs/dbraw/zinc/93/27/11/563932711.db2.gz DVHCADFATQAYKA-MRVPVSSYSA-N 0 0 312.598 4.066 50 0 DIAARN C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 ZINC000095968325 563933173 /nfs/dbraw/zinc/93/31/73/563933173.db2.gz AOWTZTFLDZAIAK-KXBFYZLASA-N 0 0 321.399 4.250 50 0 DIAARN COC[C@H](N[C@@H]1C[C@H](C)Sc2ccccc21)c1ccco1 ZINC000095968848 563933252 /nfs/dbraw/zinc/93/32/52/563933252.db2.gz SYQUNUCFCQBUAN-CFVMTHIKSA-N 0 0 303.427 4.182 50 0 DIAARN FC(F)(F)c1ccccc1CNc1cccc(-c2ncon2)c1 ZINC000095971964 563933378 /nfs/dbraw/zinc/93/33/78/563933378.db2.gz WCUJZCWWZAVDPC-UHFFFAOYSA-N 0 0 319.286 4.368 50 0 DIAARN CCc1cc(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)sc1C ZINC000095994004 563934392 /nfs/dbraw/zinc/93/43/92/563934392.db2.gz AYZFTYPXHHOUIC-JKSUJKDBSA-N 0 0 323.502 4.333 50 0 DIAARN CC[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(F)cc1F ZINC000095981585 563933913 /nfs/dbraw/zinc/93/39/13/563933913.db2.gz QONXZYWJGDAZJC-LLVKDONJSA-N 0 0 317.261 4.337 50 0 DIAARN CC(=O)N1CCC(Nc2ccc(SC(C)(C)C)cc2C)CC1 ZINC000095983060 563933967 /nfs/dbraw/zinc/93/39/67/563933967.db2.gz LQHSUAVVZYLHNH-UHFFFAOYSA-N 0 0 320.502 4.308 50 0 DIAARN Fc1ccc(NCc2c[nH]nc2-c2c(F)cccc2F)cc1F ZINC000095988521 563934267 /nfs/dbraw/zinc/93/42/67/563934267.db2.gz CFNZLUGSICIEKZ-UHFFFAOYSA-N 0 0 321.277 4.245 50 0 DIAARN O=C(C1CC=CC1)N1CCCCc2c(Br)cccc21 ZINC000096009678 563934839 /nfs/dbraw/zinc/93/48/39/563934839.db2.gz BGXMCWMOYXTLTK-UHFFFAOYSA-N 0 0 320.230 4.085 50 0 DIAARN CCC[C@@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 ZINC000096116154 563935439 /nfs/dbraw/zinc/93/54/39/563935439.db2.gz LKTSPRMRMRAWMK-LJQANCHMSA-N 0 0 321.461 4.394 50 0 biogenic DIAARN O=C(c1cc2ccccc2[nH]1)N1CCC(c2cccs2)CC1 ZINC000096120589 563935627 /nfs/dbraw/zinc/93/56/27/563935627.db2.gz UZQPACYRCKHSFY-UHFFFAOYSA-N 0 0 310.422 4.249 50 0 DIAARN c1cc(Cc2csc(Nc3ccc4c(c3)OCO4)n2)cs1 ZINC000096124520 563935675 /nfs/dbraw/zinc/93/56/75/563935675.db2.gz ZTRAGROPJIGSKU-UHFFFAOYSA-N 0 0 316.407 4.268 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 ZINC000096183919 563935750 /nfs/dbraw/zinc/93/57/50/563935750.db2.gz MFVNFASIDRQZKQ-BETUJISGSA-N 0 0 317.360 4.329 50 0 DIAARN O=C(CCc1ccccc1)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096230925 563935960 /nfs/dbraw/zinc/93/59/60/563935960.db2.gz GGIJBHMLDLOWHW-LJQANCHMSA-N 0 0 318.420 4.294 50 0 DIAARN CC(C)N(C)c1nc2ccccc2c2nnc(C3CCCCC3)n21 ZINC000096280772 563936021 /nfs/dbraw/zinc/93/60/21/563936021.db2.gz CBJCIZVQRRXAHY-UHFFFAOYSA-N 0 0 323.444 4.170 50 0 DIAARN CC[C@@H](C)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000007969380 563936308 /nfs/dbraw/zinc/93/63/08/563936308.db2.gz YITIZNZCPDTEMD-DNVCBOLYSA-N 0 0 311.425 4.141 50 0 DIAARN Cc1nn(C)c2ncc(/C=C\c3nc4cc(C)ccc4s3)cc12 ZINC000096314852 563936354 /nfs/dbraw/zinc/93/63/54/563936354.db2.gz BVARGEIWYBHVSD-ALCCZGGFSA-N 0 0 320.421 4.365 50 0 DIAARN CO[C@@H](CNC(=O)c1cccc2ccccc21)c1cccc(F)c1 ZINC000096388069 563936528 /nfs/dbraw/zinc/93/65/28/563936528.db2.gz AUZANDFRWAOSFA-IBGZPJMESA-N 0 0 323.367 4.096 50 0 DIAARN Cc1ccc(/C=C\C(=O)N[C@H](c2ccco2)c2ccccc2)o1 ZINC000096401351 563936680 /nfs/dbraw/zinc/93/66/80/563936680.db2.gz UJNWABGBSXITRW-JZHDPFOFSA-N 0 0 307.349 4.100 50 0 DIAARN Cc1cc(Cl)cc2nc(SCc3nnc(C4CC4)o3)oc21 ZINC000096409189 563936909 /nfs/dbraw/zinc/93/69/09/563936909.db2.gz RZDXLFDSWLBYCG-UHFFFAOYSA-N 0 0 321.789 4.342 50 0 DIAARN C[C@@H]1CCC[C@H](NC(=O)/C=C\c2c(F)cccc2Cl)[C@@H]1C ZINC000096437941 563937055 /nfs/dbraw/zinc/93/70/55/563937055.db2.gz CRIVOBJCBMEMDD-QHTFBVDRSA-N 0 0 309.812 4.433 50 0 DIAARN CCOc1ccc(CSc2nnc(C3CCCCC3)o2)nc1 ZINC000096459658 563937140 /nfs/dbraw/zinc/93/71/40/563937140.db2.gz DLFHUULNPOCJGH-UHFFFAOYSA-N 0 0 319.430 4.203 50 0 DIAARN CCSCc1cccc(NC(=O)N(C)Cc2nccs2)c1 ZINC000096446008 563937254 /nfs/dbraw/zinc/93/72/54/563937254.db2.gz RCYHEXWYBHZMIS-UHFFFAOYSA-N 0 0 321.471 4.060 50 0 DIAARN CCCCCn1c2ccccc2nc1[C@H](C)NC(=O)C(C)(C)C ZINC000002460881 563937949 /nfs/dbraw/zinc/93/79/49/563937949.db2.gz ZVWXLLBNJBBWOE-AWEZNQCLSA-N 0 0 315.461 4.450 50 0 DIAARN Fc1cc(F)c(NCc2csc([C@H]3CCCO3)n2)cc1F ZINC000097236946 563937967 /nfs/dbraw/zinc/93/79/67/563937967.db2.gz DBSBEEFNYPVRCG-CYBMUJFWSA-N 0 0 314.332 4.024 50 0 DIAARN O=C(Nc1cccc(Cl)c1)c1noc2c1CCc1ccccc1-2 ZINC000002465958 563938050 /nfs/dbraw/zinc/93/80/50/563938050.db2.gz KDAZMTCVOROHMR-UHFFFAOYSA-N 0 0 324.767 4.346 50 0 DIAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccs2)on1 ZINC000002465650 563938071 /nfs/dbraw/zinc/93/80/71/563938071.db2.gz JNPONUYVNDKJIY-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 DIAARN CCOc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 ZINC000028239960 563939068 /nfs/dbraw/zinc/93/90/68/563939068.db2.gz HCOIWZIRYBKEJW-UHFFFAOYSA-N 0 0 311.410 4.216 50 0 DIAARN Cc1cc(C(=O)CSc2cc(C)c3ccccc3n2)c(C)n1C ZINC000002619426 563939615 /nfs/dbraw/zinc/93/96/15/563939615.db2.gz HXILEBDANXTMHO-UHFFFAOYSA-N 0 0 324.449 4.474 50 0 DIAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c21 ZINC000002626455 563939697 /nfs/dbraw/zinc/93/96/97/563939697.db2.gz PETQARZQIGGKEH-UHFFFAOYSA-N 0 0 316.744 4.028 50 0 DIAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000002630831 563939710 /nfs/dbraw/zinc/93/97/10/563939710.db2.gz ICFLXVGVHFEUNQ-GFCCVEGCSA-N 0 0 315.800 4.235 50 0 DIAARN Cc1ccc(N[C@@H]2Sc3ccccc3NC2=O)cc1Cl ZINC000002638207 563939901 /nfs/dbraw/zinc/93/99/01/563939901.db2.gz PYWMDEREWTWAAQ-OAHLLOKOSA-N 0 0 304.802 4.131 50 0 DIAARN CCOc1ccc(OCCC(=O)Nc2ccccc2Cl)cc1 ZINC000002638845 563939903 /nfs/dbraw/zinc/93/99/03/563939903.db2.gz CWYKVKDIMBJKKS-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002647703 563940007 /nfs/dbraw/zinc/94/00/07/563940007.db2.gz IWWCXZAGAOEOAG-LLVKDONJSA-N 0 0 324.207 4.250 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000002648945 563940129 /nfs/dbraw/zinc/94/01/29/563940129.db2.gz BVXDKGPCVOJOCF-QGZVFWFLSA-N 0 0 323.392 4.224 50 0 DIAARN COc1ccc(NC(=O)CCOc2cccc(C)c2)cc1Cl ZINC000002647413 563940131 /nfs/dbraw/zinc/94/01/31/563940131.db2.gz IDBLTBTYQORRGH-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN CC(C)CN(CC(C)C)C(=O)c1ccc(Br)s1 ZINC000002772336 563940731 /nfs/dbraw/zinc/94/07/31/563940731.db2.gz WOKZWINLOFWERP-UHFFFAOYSA-N 0 0 318.280 4.265 50 0 DIAARN CCOc1cc(C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000002796960 563940920 /nfs/dbraw/zinc/94/09/20/563940920.db2.gz TXIYVWZMIROFNL-UHFFFAOYSA-N 0 0 321.323 4.247 50 0 DIAARN O=C(Cn1c2ccccc2c2c1CCCC2)Nc1ccccc1F ZINC000002887312 563941121 /nfs/dbraw/zinc/94/11/21/563941121.db2.gz XBWYMZZLFQQSSP-UHFFFAOYSA-N 0 0 322.383 4.298 50 0 DIAARN C[C@@H](Sc1ccc(F)cc1F)c1nc(-c2ccco2)no1 ZINC000029740040 563941382 /nfs/dbraw/zinc/94/13/82/563941382.db2.gz CUMGICXSPCNKOI-MRVPVSSYSA-N 0 0 308.309 4.461 50 0 DIAARN Cc1ccc(CSC[C@H]2COC(c3cccs3)=N2)cc1 ZINC000003030019 563941620 /nfs/dbraw/zinc/94/16/20/563941620.db2.gz IBVZNMCBOPAHBJ-CQSZACIVSA-N 0 0 303.452 4.135 50 0 DIAARN O=C(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003128585 563942295 /nfs/dbraw/zinc/94/22/95/563942295.db2.gz ILGYABCFEXHACB-UHFFFAOYSA-N 0 0 309.793 4.001 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1snnc1-c1ccccc1 ZINC000003170001 563942444 /nfs/dbraw/zinc/94/24/44/563942444.db2.gz VMPKFYLDQLAUGE-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN O=C(NCSc1nc2ccccc2o1)c1cc2ccccc2o1 ZINC000003174702 563942669 /nfs/dbraw/zinc/94/26/69/563942669.db2.gz HTGUURGTFAKZEZ-UHFFFAOYSA-N 0 0 324.361 4.054 50 0 DIAARN CCCSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003221006 563942963 /nfs/dbraw/zinc/94/29/63/563942963.db2.gz OOWXCXWXJTURLE-UHFFFAOYSA-N 0 0 314.385 4.027 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C)cc2)n1 ZINC000003236335 563943112 /nfs/dbraw/zinc/94/31/12/563943112.db2.gz BIFOPLWPMGNOJN-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN O=C(CSc1ccccc1)c1ccccc1Br ZINC000003242342 563943180 /nfs/dbraw/zinc/94/31/80/563943180.db2.gz RLHLVNKQXRMZMP-UHFFFAOYSA-N 0 0 307.212 4.424 50 0 DIAARN COc1ccc(NP(N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000003259861 563943252 /nfs/dbraw/zinc/94/32/52/563943252.db2.gz QLWMOMBVMGAFHP-UHFFFAOYSA-N 0 0 315.568 4.308 50 0 DIAARN O=C(Nc1nc2ccccc2s1)c1cccc(OC(F)F)c1 ZINC000003275149 563943432 /nfs/dbraw/zinc/94/34/32/563943432.db2.gz MYLATEUEVXHVRU-UHFFFAOYSA-N 0 0 320.320 4.150 50 0 DIAARN CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000003279773 563943567 /nfs/dbraw/zinc/94/35/67/563943567.db2.gz OTGJXRXTAJETOQ-UHFFFAOYSA-N 0 0 313.401 4.245 50 0 DIAARN Fc1ccc(-n2c(SC(F)F)nnc2-c2ccccc2)cc1 ZINC000003273168 563943603 /nfs/dbraw/zinc/94/36/03/563943603.db2.gz RFTZFNRMQBTILS-UHFFFAOYSA-N 0 0 321.327 4.388 50 0 DIAARN O=C(c1cc2ccccc2s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000030765930 563943727 /nfs/dbraw/zinc/94/37/27/563943727.db2.gz IZUBVEOYLZENGJ-MRXNPFEDSA-N 0 0 323.417 4.115 50 0 DIAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)n1 ZINC000058157642 563943932 /nfs/dbraw/zinc/94/39/32/563943932.db2.gz UNVQYZKJPYPYHM-UHFFFAOYSA-N 0 0 319.408 4.109 50 0 DIAARN Cc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000003398463 563944006 /nfs/dbraw/zinc/94/40/06/563944006.db2.gz NYDBDUMLLOECBL-UHFFFAOYSA-N 0 0 322.330 4.373 50 0 DIAARN CCc1ccc(OCC(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000031082681 563944118 /nfs/dbraw/zinc/94/41/18/563944118.db2.gz WIYQWXJCWCQVHD-UHFFFAOYSA-N 0 0 320.392 4.123 50 0 DIAARN COc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000031038388 563944158 /nfs/dbraw/zinc/94/41/58/563944158.db2.gz KISZCWUFNVWVCL-LJQANCHMSA-N 0 0 324.424 4.050 50 0 DIAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC000031334058 563944388 /nfs/dbraw/zinc/94/43/88/563944388.db2.gz SPAXBUNUBLBVPB-NSHDSACASA-N 0 0 313.788 4.050 50 0 DIAARN CC(C)c1nc(CC(=O)N2CCc3sccc3[C@@H]2C)cs1 ZINC000031714944 563944766 /nfs/dbraw/zinc/94/47/66/563944766.db2.gz ZHDCIUPYAHCKFT-NSHDSACASA-N 0 0 320.483 4.016 50 0 DIAARN Cc1cccc(F)c1C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 ZINC000670455908 563944815 /nfs/dbraw/zinc/94/48/15/563944815.db2.gz QXQBLJYZAFPBCG-INIZCTEOSA-N 0 0 314.404 4.436 50 0 DIAARN O=C(c1cccc2cccnc21)N1CCC2(C1)CCCCCC2 ZINC000670454419 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O=C(c1cc2c(s1)CCC2)N1CCC(c2ccccc2)CC1 ZINC000032366649 563945765 /nfs/dbraw/zinc/94/57/65/563945765.db2.gz DHYPKXWAGXKBME-UHFFFAOYSA-N 0 0 311.450 4.257 50 0 DIAARN O=C(CCc1ccco1)N[C@@H](c1cccs1)C1CCCC1 ZINC000032397198 563945817 /nfs/dbraw/zinc/94/58/17/563945817.db2.gz YDLCAHOEAYRJAR-QGZVFWFLSA-N 0 0 303.427 4.321 50 0 DIAARN Cc1cc(C(=O)COc2cc(Cl)ccc2Cl)c(C)n1C ZINC000007986932 563945950 /nfs/dbraw/zinc/94/59/50/563945950.db2.gz FPWGZYYKYKOAKS-UHFFFAOYSA-N 0 0 312.196 4.210 50 0 DIAARN Cc1cc(=O)oc2c(C)c(Oc3ncnc4sccc43)ccc12 ZINC000007979292 563946013 /nfs/dbraw/zinc/94/60/13/563946013.db2.gz JDZDBFFITLGQOV-UHFFFAOYSA-N 0 0 324.361 4.207 50 0 DIAARN O=C(NCC[C@H](c1ccco1)c1ccc(F)cc1)C1CC=CC1 ZINC000670466118 563946299 /nfs/dbraw/zinc/94/62/99/563946299.db2.gz GSDFQURBVUUIQM-KRWDZBQOSA-N 0 0 313.372 4.023 50 0 DIAARN Cc1ccccc1-c1cccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000263449230 563946322 /nfs/dbraw/zinc/94/63/22/563946322.db2.gz ZANQSRUICGYQOR-IBGZPJMESA-N 0 0 309.409 4.101 50 0 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c1sc(-c2ccccn2)nc1-c1ccc2c(c1)OCCCO2 ZINC000008186226 563947243 /nfs/dbraw/zinc/94/72/43/563947243.db2.gz YUEJUSNZEDUZFM-UHFFFAOYSA-N 0 0 310.378 4.033 50 0 DIAARN Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1C ZINC000008244246 563947304 /nfs/dbraw/zinc/94/73/04/563947304.db2.gz VKSDKIKPBMBEFL-UHFFFAOYSA-N 0 0 310.422 4.185 50 0 DIAARN Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C ZINC000008238052 563947311 /nfs/dbraw/zinc/94/73/11/563947311.db2.gz LDXSTZBXZBIPCD-HNNXBMFYSA-N 0 0 323.392 4.306 50 0 DIAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1 ZINC000008244053 563947376 /nfs/dbraw/zinc/94/73/76/563947376.db2.gz OJXGXUWSYWHCRC-UHFFFAOYSA-N 0 0 316.813 4.222 50 0 DIAARN Cc1occc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000008280617 563947558 /nfs/dbraw/zinc/94/75/58/563947558.db2.gz ATCFDZXVRXWOGH-UHFFFAOYSA-N 0 0 323.377 4.217 50 0 DIAARN CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(O)cc3)n2)c1C ZINC000008297563 563947668 /nfs/dbraw/zinc/94/76/68/563947668.db2.gz WCECKXLOKQUCKD-UHFFFAOYSA-N 0 0 312.394 4.330 50 0 DIAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1Cl ZINC000008320393 563947776 /nfs/dbraw/zinc/94/77/76/563947776.db2.gz KUZQMODUFQSRKN-CQSZACIVSA-N 0 0 320.845 4.177 50 0 DIAARN c1ccc(Oc2ccccc2CSc2nnnn2C2CC2)cc1 ZINC000008327267 563947897 /nfs/dbraw/zinc/94/78/97/563947897.db2.gz QUSIBEOGRBEBOZ-UHFFFAOYSA-N 0 0 324.409 4.093 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1ccc2ccccc2c1O ZINC000008364002 563948080 /nfs/dbraw/zinc/94/80/80/563948080.db2.gz UBVWPBJTAWXNJR-UHFFFAOYSA-N 0 0 319.316 4.044 50 0 DIAARN O=C(NCc1ccccc1F)c1cc2c(cccc2F)s1 ZINC000008331271 563948088 /nfs/dbraw/zinc/94/80/88/563948088.db2.gz MOTXDNPQGFIWHP-UHFFFAOYSA-N 0 0 303.333 4.110 50 0 DIAARN Fc1ccc(-c2nnc(COc3cccc(Cl)c3)o2)cc1 ZINC000008344639 563948126 /nfs/dbraw/zinc/94/81/26/563948126.db2.gz CTBIXTGMQBVJLA-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1C1CC1 ZINC000067143981 563948564 /nfs/dbraw/zinc/94/85/64/563948564.db2.gz UHIGWHBCNSBKGR-MNOVXSKESA-N 0 0 317.376 4.476 50 0 DIAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000008428222 563948593 /nfs/dbraw/zinc/94/85/93/563948593.db2.gz AVSIQTLVAZSVQB-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1C1CC1 ZINC000067143979 563948647 /nfs/dbraw/zinc/94/86/47/563948647.db2.gz UHIGWHBCNSBKGR-QWRGUYRKSA-N 0 0 317.376 4.476 50 0 DIAARN O=C(Nc1cnn(Cc2ccccc2)c1)c1sccc1C1CC1 ZINC000067210106 563948666 /nfs/dbraw/zinc/94/86/66/563948666.db2.gz FKDXEUIWESSRIC-UHFFFAOYSA-N 0 0 323.421 4.123 50 0 DIAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 ZINC000008480304 563948755 /nfs/dbraw/zinc/94/87/55/563948755.db2.gz JVHLSASJHOLMDQ-CXAGYDPISA-N 0 0 317.816 4.375 50 0 DIAARN CN(Cc1ccco1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000008485460 563948875 /nfs/dbraw/zinc/94/88/75/563948875.db2.gz SHIOQTWBTHTQEU-UHFFFAOYSA-N 0 0 307.349 4.344 50 0 DIAARN CCc1ncc(CN(C)C(=O)Nc2cccc(Cl)c2C)s1 ZINC000067487266 563949457 /nfs/dbraw/zinc/94/94/57/563949457.db2.gz UQSXBKJUBNUSJM-UHFFFAOYSA-N 0 0 323.849 4.331 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1 ZINC000008611353 563949460 /nfs/dbraw/zinc/94/94/60/563949460.db2.gz IBXPEYXBXQPZKX-UHFFFAOYSA-N 0 0 322.364 4.406 50 0 DIAARN Cc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)n1 ZINC000008682875 563949486 /nfs/dbraw/zinc/94/94/86/563949486.db2.gz YOLTWYWCCNWVTL-UHFFFAOYSA-N 0 0 311.332 4.218 50 0 DIAARN Cc1noc(C)c1CNC(=O)Nc1ccccc1-c1ccccc1 ZINC000067544008 563949637 /nfs/dbraw/zinc/94/96/37/563949637.db2.gz CIUSZRXSRDAQMH-UHFFFAOYSA-N 0 0 321.380 4.280 50 0 DIAARN Cc1cc2cc(CNC(=S)Nc3ccccc3C)ccc2n1C ZINC000008685216 563949809 /nfs/dbraw/zinc/94/98/09/563949809.db2.gz YEDOISUVFHUSFU-UHFFFAOYSA-N 0 0 323.465 4.282 50 0 aggregator DIAARN C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000008708296 563949937 /nfs/dbraw/zinc/94/99/37/563949937.db2.gz ZQCRBKJYUVAUMS-MRXNPFEDSA-N 0 0 316.404 4.169 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1nc(Cl)ccc1Cl ZINC000008707040 563949960 /nfs/dbraw/zinc/94/99/60/563949960.db2.gz AUSTZTKTKQHVEJ-UHFFFAOYSA-N 0 0 318.163 4.189 50 0 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O=C1C[C@@H](c2ccc(Cl)cc2)ON1Cc1ccc(Cl)cc1 ZINC000068728509 563951135 /nfs/dbraw/zinc/95/11/35/563951135.db2.gz MAPFENXXXBJYAJ-HNNXBMFYSA-N 0 0 322.191 4.399 50 0 DIAARN COc1ccc(C(=O)N(C)c2ccccc2-c2ccccc2)cn1 ZINC000068239877 563951233 /nfs/dbraw/zinc/95/12/33/563951233.db2.gz HCESFINVLVCDCW-UHFFFAOYSA-N 0 0 318.376 4.034 50 0 DIAARN CN(Cc1ccc(F)cc1)c1ncnc2c3ccccc3oc21 ZINC000068838381 563951335 /nfs/dbraw/zinc/95/13/35/563951335.db2.gz FWBQCEQUDHSUAN-UHFFFAOYSA-N 0 0 307.328 4.152 50 0 DIAARN CCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000008919020 563951487 /nfs/dbraw/zinc/95/14/87/563951487.db2.gz YBCJBQPJJBRDJX-HNNXBMFYSA-N 0 0 313.397 4.108 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)N1CCCc2ccc(F)cc21 ZINC000040117193 563951573 /nfs/dbraw/zinc/95/15/73/563951573.db2.gz ZKLFTUDVSHCMLD-UHFFFAOYSA-N 0 0 322.383 4.219 50 0 DIAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000008971065 563951668 /nfs/dbraw/zinc/95/16/68/563951668.db2.gz QUSFTHRHFBGUDH-AWEZNQCLSA-N 0 0 323.783 4.204 50 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190649975 /nfs/dbraw/zinc/64/99/75/190649975.db2.gz GSYKJLFNLVXHDL-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN CNC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000102736130 185419910 /nfs/dbraw/zinc/41/99/10/185419910.db2.gz IZRHPMPVKKSEMF-SQFISAMPSA-N 0 0 314.388 4.081 50 0 DIAARN Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2n1 ZINC000032124125 190657726 /nfs/dbraw/zinc/65/77/26/190657726.db2.gz IMGGAFJNYUUWJN-UHFFFAOYSA-N 0 0 301.349 4.277 50 0 biogenic DIAARN COC1(c2nc(Cc3ccccc3Cl)cs2)CCOCC1 ZINC000225745886 201740925 /nfs/dbraw/zinc/74/09/25/201740925.db2.gz NCRYUZXMPXQDMX-UHFFFAOYSA-N 0 0 323.845 4.039 50 0 DIAARN CSc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000044845714 190674014 /nfs/dbraw/zinc/67/40/14/190674014.db2.gz LUMJHHVUQOWGIX-UHFFFAOYSA-N 0 0 306.818 4.384 50 0 DIAARN O=C(c1ccc(F)cc1F)N(Cc1ccco1)C1CCCC1 ZINC000048311442 190676252 /nfs/dbraw/zinc/67/62/52/190676252.db2.gz JOSPISHHFVVRHM-UHFFFAOYSA-N 0 0 305.324 4.143 50 0 DIAARN CCC[C@@H](C(=O)NCC1(c2ccccc2)CCC1)c1ccccn1 ZINC000225798684 201748895 /nfs/dbraw/zinc/74/88/95/201748895.db2.gz NGKCONZXUZZBLW-GOSISDBHSA-N 0 0 322.452 4.203 50 0 DIAARN O=C(Nc1cc(-c2ccsc2)no1)c1ccc(Cl)s1 ZINC000065153236 190707285 /nfs/dbraw/zinc/70/72/85/190707285.db2.gz UMUBFUZYMWRXMM-UHFFFAOYSA-N 0 0 310.787 4.370 50 0 DIAARN COc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c(F)c1 ZINC000170633537 197797093 /nfs/dbraw/zinc/79/70/93/197797093.db2.gz LRGILCRRWZEVFF-INIZCTEOSA-N 0 0 317.360 4.185 50 0 DIAARN C[C@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1nc(C(C)(C)C)cs1 ZINC000170644803 197798352 /nfs/dbraw/zinc/79/83/52/197798352.db2.gz QNRVGNUFCRYPJL-UPJWGTAASA-N 0 0 323.506 4.332 50 0 DIAARN C[C@H](c1cccnc1)N(C)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000069848924 190829347 /nfs/dbraw/zinc/82/93/47/190829347.db2.gz PFGVITSCNSIOBD-DNVCBOLYSA-N 0 0 323.440 4.325 50 0 DIAARN O=C(NCc1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343966 192149946 /nfs/dbraw/zinc/14/99/46/192149946.db2.gz VRNGUAWVAIAHOW-HZPDHXFCSA-N 0 0 320.219 4.413 50 0 DIAARN O=C(NCc1ccccc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343973 192150118 /nfs/dbraw/zinc/15/01/18/192150118.db2.gz VRNGUAWVAIAHOW-HOTGVXAUSA-N 0 0 320.219 4.413 50 0 DIAARN CC[C@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@H]1c1ccccc1 ZINC000080450321 192158748 /nfs/dbraw/zinc/15/87/48/192158748.db2.gz XRSXSKQBQSEBGC-WMLDXEAASA-N 0 0 324.424 4.208 50 0 DIAARN O=C(CCn1ccc2ccc(F)cc21)Nc1cccc2[nH]ccc21 ZINC000071287287 190953314 /nfs/dbraw/zinc/95/33/14/190953314.db2.gz FPZNKJMIGIDAAL-UHFFFAOYSA-N 0 0 321.355 4.291 50 0 DIAARN COCCCCCn1nc(-c2ccccc2)nc1-c1ccccc1 ZINC000083902484 192390257 /nfs/dbraw/zinc/39/02/57/192390257.db2.gz HCTDHHWURPWUQE-UHFFFAOYSA-N 0 0 321.424 4.429 50 0 DIAARN CC(C)(C)c1ccc(CN2CC[C@@]3(CCCO3)CCC2=O)cc1 ZINC000071707863 191011164 /nfs/dbraw/zinc/01/11/64/191011164.db2.gz QVUKDAIKNPZVIC-HXUWFJFHSA-N 0 0 315.457 4.046 50 0 DIAARN FC(F)(F)c1cccc(N2CCN(c3ccccc3)CC2)c1 ZINC000071702409 191010011 /nfs/dbraw/zinc/01/00/11/191010011.db2.gz DDXSXBJYZZTZBJ-UHFFFAOYSA-N 0 0 306.331 4.032 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319.408 4.265 50 0 DIAARN CC(C)c1noc([C@@H](C)Sc2ccc3c(c2)OCCCO3)n1 ZINC000084631099 192448202 /nfs/dbraw/zinc/44/82/02/192448202.db2.gz JOOMFNHYCNYZOH-LLVKDONJSA-N 0 0 320.414 4.208 50 0 DIAARN CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000072193608 191073570 /nfs/dbraw/zinc/07/35/70/191073570.db2.gz YOOZJCQOKJTRAA-JYRVWZFOSA-N 0 0 308.377 4.415 50 0 DIAARN CCn1ccc(NC(=O)c2cccc(-c3cccc(C)c3)c2)n1 ZINC000072243302 191086018 /nfs/dbraw/zinc/08/60/18/191086018.db2.gz IGPGAFUXFIMPRI-UHFFFAOYSA-N 0 0 305.381 4.131 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(-c2ccco2)o1 ZINC000072243262 191086304 /nfs/dbraw/zinc/08/63/04/191086304.db2.gz LKKPFCRLXLEWLR-UHFFFAOYSA-N 0 0 314.366 4.127 50 0 DIAARN O=C(c1cc(-c2ccco2)cs1)N1CCc2ccccc2C1 ZINC000072259964 191088477 /nfs/dbraw/zinc/08/84/77/191088477.db2.gz COTKTNBTPLNRIS-UHFFFAOYSA-N 0 0 309.390 4.207 50 0 DIAARN Cc1ccc(Oc2ccc(C(=O)Nc3nccs3)o2)cc1 ZINC000072264852 191089282 /nfs/dbraw/zinc/08/92/82/191089282.db2.gz QSVXBONUXWYEPW-UHFFFAOYSA-N 0 0 300.339 4.089 50 0 DIAARN Cc1csc([C@H]2CCCCN2C(=O)c2cc(C)oc2C)n1 ZINC000072273749 191095817 /nfs/dbraw/zinc/09/58/17/191095817.db2.gz FSJYPWZMHFXBDP-CQSZACIVSA-N 0 0 304.415 4.029 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000072282498 191102673 /nfs/dbraw/zinc/10/26/73/191102673.db2.gz WVPAKCFBKZCABL-UHFFFAOYSA-N 0 0 317.776 4.251 50 0 DIAARN COc1ccc(-c2cc3cc(Br)cnc3o2)cc1 ZINC000072284040 191103795 /nfs/dbraw/zinc/10/37/95/191103795.db2.gz WWILJVHMJKXSCO-UHFFFAOYSA-N 0 0 304.143 4.266 50 0 DIAARN COc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(C)c1 ZINC000171309275 197915917 /nfs/dbraw/zinc/91/59/17/197915917.db2.gz FGIONCPBWXHKJD-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN C[C@@H](C(=O)N1CCCC[C@H]1c1nccs1)c1cccc(F)c1 ZINC000072297166 191112841 /nfs/dbraw/zinc/11/28/41/191112841.db2.gz GCNBLAABFYCHKV-DOMZBBRYSA-N 0 0 318.417 4.140 50 0 DIAARN c1cc(Cc2noc([C@@H]3C[C@@H]3c3cccc4ccccc43)n2)no1 ZINC000225595068 186280912 /nfs/dbraw/zinc/28/09/12/186280912.db2.gz MQXGDIOHEXSKFV-IAGOWNOFSA-N 0 0 317.348 4.073 50 0 DIAARN Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccco1 ZINC000225624915 186284231 /nfs/dbraw/zinc/28/42/31/186284231.db2.gz PUEMILSDKXMEBL-UHFFFAOYSA-N 0 0 319.320 4.044 50 0 DIAARN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)/C=C/c1cncs1 ZINC000225648237 186286595 /nfs/dbraw/zinc/28/65/95/186286595.db2.gz DKCMIMUWNZXFII-BBVFFXRHSA-N 0 0 314.454 4.320 50 0 DIAARN O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@H]1c1cccc(F)c1 ZINC000253397145 186305456 /nfs/dbraw/zinc/30/54/56/186305456.db2.gz OUEPHZISNFGOJW-HIFRSBDPSA-N 0 0 311.347 4.315 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)c1ccnc(OCC2CC2)c1 ZINC000253396637 186305893 /nfs/dbraw/zinc/30/58/93/186305893.db2.gz DYLXHJDPFYDNBO-UHFFFAOYSA-N 0 0 316.788 4.085 50 0 DIAARN CC(C)C[C@H](C(=O)Nc1cccc2cccnc21)n1cccc1 ZINC000253400324 186307092 /nfs/dbraw/zinc/30/70/92/186307092.db2.gz DVVQJSQVGNNPGV-QGZVFWFLSA-N 0 0 307.397 4.262 50 0 DIAARN Cc1ccc2oc(NCCCc3nc4ccccc4n3C)nc2c1 ZINC000072307706 191118798 /nfs/dbraw/zinc/11/87/98/191118798.db2.gz PLNXVPMVDCYKFY-UHFFFAOYSA-N 0 0 320.396 4.068 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000072331426 191124868 /nfs/dbraw/zinc/12/48/68/191124868.db2.gz DSGLWCJYDYVSBK-SNVBAGLBSA-N 0 0 324.207 4.493 50 0 DIAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(F)c1 ZINC000000035615 180673684 /nfs/dbraw/zinc/67/36/84/180673684.db2.gz YKHCFJZIPIFBJC-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN O=C(NCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000000036020 180673844 /nfs/dbraw/zinc/67/38/44/180673844.db2.gz ZUDWCBNBXXVGFY-UHFFFAOYSA-N 0 0 317.388 4.451 50 0 DIAARN CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000000027605 180670377 /nfs/dbraw/zinc/67/03/77/180670377.db2.gz XCTKVHNXJIFHEP-RBUKOAKNSA-N 0 0 308.425 4.275 50 0 DIAARN Cc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)s1 ZINC000000056368 180680219 /nfs/dbraw/zinc/68/02/19/180680219.db2.gz IXTMHBTXYDHFIQ-UHFFFAOYSA-N 0 0 317.435 4.319 50 0 DIAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(Cl)cc1 ZINC000000070975 180683625 /nfs/dbraw/zinc/68/36/25/180683625.db2.gz VOLTZPOVAKCPOT-USFYMYEYSA-N 0 0 309.752 4.350 50 0 DIAARN CCOc1cc(OCC)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000044695 180676377 /nfs/dbraw/zinc/67/63/77/180676377.db2.gz LYRWQMWCLVQQMX-UHFFFAOYSA-N 0 0 310.349 4.257 50 0 biogenic DIAARN Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br ZINC000000045954 180677206 /nfs/dbraw/zinc/67/72/06/180677206.db2.gz YVKMSZIPIXQELB-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cc1nn2c(nccc2-c2ccncc2)c1-c1ccc(Cl)cc1 ZINC000072403366 191151107 /nfs/dbraw/zinc/15/11/07/191151107.db2.gz SONAVFXKNGFWLM-UHFFFAOYSA-N 0 0 320.783 4.420 50 0 DIAARN COc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000049754 180678273 /nfs/dbraw/zinc/67/82/73/180678273.db2.gz OSYUAOAVKKIEDK-UHFFFAOYSA-N 0 0 317.388 4.466 50 0 DIAARN O=C1C[C@H](c2ccccc2)c2cnn(Cc3cccs3)c2N1 ZINC000072404278 191151934 /nfs/dbraw/zinc/15/19/34/191151934.db2.gz GUBWZKWNQDXVJR-CQSZACIVSA-N 0 0 309.394 4.117 50 0 DIAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(O)cc1 ZINC000000081004 180686784 /nfs/dbraw/zinc/68/67/84/180686784.db2.gz JCFRINLEFVVBIB-UHFFFAOYSA-N 0 0 322.364 4.169 50 0 DIAARN Cc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1C ZINC000000087138 180688354 /nfs/dbraw/zinc/68/83/54/180688354.db2.gz AWPAJRFNDHQYNS-UHFFFAOYSA-N 0 0 323.421 4.261 50 0 DIAARN O=C(CSc1nc2ccccc2o1)Nc1ccccc1Cl ZINC000000097799 180691048 /nfs/dbraw/zinc/69/10/48/180691048.db2.gz NZZHRBQXFHVPBE-UHFFFAOYSA-N 0 0 318.785 4.212 50 0 DIAARN COc1ccc2oc(C)c(C(=O)c3oc4ccccc4c3N)c2c1 ZINC000000098447 180691663 /nfs/dbraw/zinc/69/16/63/180691663.db2.gz RNWJSTOLPDEQEM-UHFFFAOYSA-N 0 0 321.332 4.309 50 0 DIAARN COc1cccc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)c1 ZINC000072427586 191161533 /nfs/dbraw/zinc/16/15/33/191161533.db2.gz ZWIIZYFDHQODQH-UHFFFAOYSA-N 0 0 324.405 4.444 50 0 DIAARN CCOC(=O)[C@@H]1C(=C(C)C)[C@@]1(C)C(=O)c1ccc(Cl)cc1 ZINC000000108569 180695976 /nfs/dbraw/zinc/69/59/76/180695976.db2.gz ONNCEAVOIAMVSY-WMLDXEAASA-N 0 0 306.789 4.058 50 0 DIAARN Cc1ccc(-c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000000109536 180696185 /nfs/dbraw/zinc/69/61/85/180696185.db2.gz ZNEBIGIOXZDJPT-INIZCTEOSA-N 0 0 319.408 4.196 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCCC1 ZINC000000116982 180698177 /nfs/dbraw/zinc/69/81/77/180698177.db2.gz PUDHYDXCEKSMFC-UHFFFAOYSA-N 0 0 318.804 4.320 50 0 DIAARN FC(F)(F)c1nc2ccccc2n1C[C@H]1CC1(Cl)Cl ZINC000000117505 180698239 /nfs/dbraw/zinc/69/82/39/180698239.db2.gz RRRSFVVLCUGDBF-SSDOTTSWSA-N 0 0 309.118 4.249 50 0 DIAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000118064 180698703 /nfs/dbraw/zinc/69/87/03/180698703.db2.gz FSVFEEZBMSNMAF-UHFFFAOYSA-N 0 0 323.314 4.340 50 0 DIAARN CC[C@]1(C)OC(=O)N2CCc3c(C)[nH]c4c3c(ccc4C)[C@@]21C ZINC000000118027 180698740 /nfs/dbraw/zinc/69/87/40/180698740.db2.gz WDGAFIUVLUWDTP-RBUKOAKNSA-N 0 0 312.413 4.177 50 0 DIAARN Cc1nc(COc2cccc(Cl)c2)sc1-c1cc[nH]n1 ZINC000000121221 180699036 /nfs/dbraw/zinc/69/90/36/180699036.db2.gz NTAUPEMIWLSANJ-UHFFFAOYSA-N 0 0 305.790 4.074 50 0 in-vitro DIAARN CCOC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000000120660 180699470 /nfs/dbraw/zinc/69/94/70/180699470.db2.gz YUOXEPMWIAGKQT-UHFFFAOYSA-N 0 0 316.209 4.217 50 0 DIAARN FC(F)(F)c1nnc2scc(-c3ccc(Cl)cc3)n21 ZINC000000120429 180699503 /nfs/dbraw/zinc/69/95/03/180699503.db2.gz YWHVGVICIGFOCQ-UHFFFAOYSA-N 0 0 303.696 4.130 50 0 DIAARN CCc1ccc(OCC(=O)Oc2ccc(Cl)cc2C)cc1 ZINC000000122558 180699807 /nfs/dbraw/zinc/69/98/07/180699807.db2.gz NTCLLAWGKWQUHA-UHFFFAOYSA-N 0 0 304.773 4.195 50 0 DIAARN FC(F)(F)c1cccnc1Oc1ccc(C2=NCCS2)cc1 ZINC000000122002 180699825 /nfs/dbraw/zinc/69/98/25/180699825.db2.gz RBXFQDXHFYENKQ-UHFFFAOYSA-N 0 0 324.327 4.386 50 0 DIAARN COc1ccc(-c2nccn2[C@H](C)CCc2ccco2)cc1O ZINC000072440856 191166902 /nfs/dbraw/zinc/16/69/02/191166902.db2.gz BXGXVMJBZROHSU-CYBMUJFWSA-N 0 0 312.369 4.051 50 0 DIAARN Cc1nccc(-c2ccccc2)c1-c1nnc(C(F)(F)F)o1 ZINC000072447043 191168260 /nfs/dbraw/zinc/16/82/60/191168260.db2.gz GLILFLFOLJNYAC-UHFFFAOYSA-N 0 0 305.259 4.126 50 0 DIAARN Cc1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000000140105 180705571 /nfs/dbraw/zinc/70/55/71/180705571.db2.gz ZZKOCDDUICZFNO-UHFFFAOYSA-N 0 0 314.186 4.444 50 0 DIAARN Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cc2)cc1 ZINC000000143591 180707031 /nfs/dbraw/zinc/70/70/31/180707031.db2.gz LEJJEDQKDUJPTD-UHFFFAOYSA-N 0 0 310.397 4.051 50 0 DIAARN COc1ccc(-c2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000000147047 180708196 /nfs/dbraw/zinc/70/81/96/180708196.db2.gz XUGKLIGSWFZVFH-UHFFFAOYSA-N 0 0 311.362 4.214 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000000155079 180710666 /nfs/dbraw/zinc/71/06/66/180710666.db2.gz UBDLMVUSVKTYHW-UHFFFAOYSA-N 0 0 316.430 4.357 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)OCn1cnc(Cl)c1Cl ZINC000000161144 180711593 /nfs/dbraw/zinc/71/15/93/180711593.db2.gz MQTXCVWPPGAXTJ-UHFFFAOYSA-N 0 0 320.563 4.050 50 0 DIAARN O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCC1 ZINC000072478979 191178854 /nfs/dbraw/zinc/17/88/54/191178854.db2.gz WEKFJZFRQFDNBT-UHFFFAOYSA-N 0 0 310.784 4.334 50 0 DIAARN Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1 ZINC000000199306 180722827 /nfs/dbraw/zinc/72/28/27/180722827.db2.gz OYUKMLIKYHZZBC-UHFFFAOYSA-N 0 0 300.358 4.476 50 0 DIAARN C[C@H]1CCCC[C@@H]1OC(=O)NC(C)(C(F)(F)F)C(F)(F)F ZINC000000198297 180723145 /nfs/dbraw/zinc/72/31/45/180723145.db2.gz JQKNIVJILBHMFB-YUMQZZPRSA-N 0 0 321.261 4.175 50 0 DIAARN COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 ZINC000000200578 180723355 /nfs/dbraw/zinc/72/33/55/180723355.db2.gz HNIZSCPYGPVDOC-UHFFFAOYSA-N 0 0 322.412 4.150 50 0 DIAARN CC1(C)Cc2nn(-c3ccccc3)c(-c3ccccn3)c2C(=O)C1 ZINC000000202971 180724368 /nfs/dbraw/zinc/72/43/68/180724368.db2.gz SBXWZRQIRKUDDD-UHFFFAOYSA-N 0 0 317.392 4.089 50 0 DIAARN Cc1cccc(CSCc2ccc(C(=O)NC(C)C)o2)c1 ZINC000000263174 180741618 /nfs/dbraw/zinc/74/16/18/180741618.db2.gz TXRIZEGWHWNADH-UHFFFAOYSA-N 0 0 303.427 4.160 50 0 DIAARN Fc1cccc(NC(=S)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000000263627 180741748 /nfs/dbraw/zinc/74/17/48/180741748.db2.gz BRISOEAURUFZBI-CQSZACIVSA-N 0 0 300.402 4.012 50 0 DIAARN COc1ccc(OC)c(CNc2ccc(Br)cc2)c1 ZINC000000267264 180743055 /nfs/dbraw/zinc/74/30/55/180743055.db2.gz FIYZYWIORQZPDA-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000291474 180749762 /nfs/dbraw/zinc/74/97/62/180749762.db2.gz DEZFECGHCDYFFA-UHFFFAOYSA-N 0 0 323.175 4.342 50 0 DIAARN COc1ccc(C)cc1NCc1ccccc1Br ZINC000000293157 180750628 /nfs/dbraw/zinc/75/06/28/180750628.db2.gz VWIAWSBDZARBDP-UHFFFAOYSA-N 0 0 306.203 4.378 50 0 DIAARN Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000000314249 180756878 /nfs/dbraw/zinc/75/68/78/180756878.db2.gz NKAPGFBVYYBDJW-UHFFFAOYSA-N 0 0 323.421 4.085 50 0 DIAARN COc1cc(NC(=O)CC2CCCCC2)c(OC)cc1Cl ZINC000000315876 180757310 /nfs/dbraw/zinc/75/73/10/180757310.db2.gz OLLBSAJDEWVFLX-UHFFFAOYSA-N 0 0 311.809 4.266 50 0 DIAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3[nH]2)cc1C ZINC000000303579 180752833 /nfs/dbraw/zinc/75/28/33/180752833.db2.gz LGEDTOSOMJEOIA-UHFFFAOYSA-N 0 0 310.422 4.463 50 0 DIAARN COc1ccc(CCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1C ZINC000000304383 180753897 /nfs/dbraw/zinc/75/38/97/180753897.db2.gz IDADHKJDWBLCBE-RHSMWYFYSA-N 0 0 303.446 4.021 50 0 DIAARN CN(C)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000306927 180754278 /nfs/dbraw/zinc/75/42/78/180754278.db2.gz RYVRSGQFUOCIQO-UHFFFAOYSA-N 0 0 309.196 4.312 50 0 DIAARN CC(C)(C)c1nc(CNc2cccc(CC(F)(F)F)c2)no1 ZINC000172938491 198168770 /nfs/dbraw/zinc/16/87/70/198168770.db2.gz IOOIWLVFUDHBGX-UHFFFAOYSA-N 0 0 313.323 4.084 50 0 DIAARN Cc1ccc(OCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000319217 180758702 /nfs/dbraw/zinc/75/87/02/180758702.db2.gz PDOVTFSFPMBDDK-UHFFFAOYSA-N 0 0 323.314 4.421 50 0 DIAARN O=C(c1sccc1Br)c1ccccc1Cl ZINC000000334528 180760553 /nfs/dbraw/zinc/76/05/53/180760553.db2.gz GDWUXJGLUNYNRX-UHFFFAOYSA-N 0 0 301.592 4.395 50 0 DIAARN Cc1cc(OCCn2cc(C=O)c3ccccc32)ccc1Cl ZINC000000335372 180760781 /nfs/dbraw/zinc/76/07/81/180760781.db2.gz XTPUDOQCDZVZSN-UHFFFAOYSA-N 0 0 313.784 4.495 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000382639 180772234 /nfs/dbraw/zinc/77/22/34/180772234.db2.gz OXYXZYAFJYTEHV-CYBMUJFWSA-N 0 0 319.857 4.445 50 0 DIAARN COc1ccc(Cl)cc1-c1nc(-c2cccc(C)c2)no1 ZINC000000382611 180772433 /nfs/dbraw/zinc/77/24/33/180772433.db2.gz XISRZLRYPXFSIA-UHFFFAOYSA-N 0 0 300.745 4.374 50 0 DIAARN Cc1noc(C)c1CSCc1cc(-c2cccs2)on1 ZINC000072766226 191227472 /nfs/dbraw/zinc/22/74/72/191227472.db2.gz XOINASROJQDFNX-UHFFFAOYSA-N 0 0 306.412 4.441 50 0 DIAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1 ZINC000000386074 180774094 /nfs/dbraw/zinc/77/40/94/180774094.db2.gz UBRWCORWDISBIH-UHFFFAOYSA-N 0 0 324.405 4.328 50 0 DIAARN Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1Cl ZINC000000352760 180764847 /nfs/dbraw/zinc/76/48/47/180764847.db2.gz WUEIAKFRNLDGMZ-MSOLQXFVSA-N 0 0 319.832 4.372 50 0 DIAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000000355534 180765167 /nfs/dbraw/zinc/76/51/67/180765167.db2.gz CNEIANKZNDCOBY-GFCCVEGCSA-N 0 0 308.381 4.332 50 0 DIAARN CCOC(=O)c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000000362959 180766889 /nfs/dbraw/zinc/76/68/89/180766889.db2.gz SESQRSYGQJTKGQ-UHFFFAOYSA-N 0 0 319.360 4.269 50 0 DIAARN CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 ZINC000000365516 180768275 /nfs/dbraw/zinc/76/82/75/180768275.db2.gz LKJJABBYSPFHGF-UHFFFAOYSA-N 0 0 317.772 4.077 50 0 DIAARN O=C1N[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 ZINC000000404149 180778110 /nfs/dbraw/zinc/77/81/10/180778110.db2.gz QCWBJFYOEHCELV-LJQANCHMSA-N 0 0 315.372 4.411 50 0 DIAARN CCCc1cc2c(cc1OC(C)=O)oc(=O)cc2-c1ccccc1 ZINC000000406874 180778661 /nfs/dbraw/zinc/77/86/61/180778661.db2.gz VEWAFXQYBOFSSM-UHFFFAOYSA-N 0 0 322.360 4.338 50 0 DIAARN COc1cccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000000387280 180774545 /nfs/dbraw/zinc/77/45/45/180774545.db2.gz ZRXUUQBSFAZRGO-UHFFFAOYSA-N 0 0 320.392 4.308 50 0 DIAARN COc1ccc(OC(=O)Nc2ccc(F)cc2F)c(Cl)c1 ZINC000000399291 180777183 /nfs/dbraw/zinc/77/71/83/180777183.db2.gz SAOJNSUUWLVCDU-UHFFFAOYSA-N 0 0 313.687 4.238 50 0 DIAARN COc1ccc(OC)c(NC(=O)Oc2ccc(Cl)cc2C)c1 ZINC000000399691 180777398 /nfs/dbraw/zinc/77/73/98/180777398.db2.gz CCIJGERWLLZXKC-UHFFFAOYSA-N 0 0 321.760 4.277 50 0 DIAARN CCCc1cc(NC(=O)c2ccccc2)c(C)c(N)c1OCC ZINC000000398649 180777544 /nfs/dbraw/zinc/77/75/44/180777544.db2.gz ITRJGAKMDQYVAQ-UHFFFAOYSA-N 0 0 312.413 4.181 50 0 DIAARN Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 ZINC000000434028 180789852 /nfs/dbraw/zinc/78/98/52/180789852.db2.gz RWWJZFWIOOFMJT-UHFFFAOYSA-N 0 0 308.406 4.300 50 0 DIAARN Fc1ccc(-n2c(-c3ccco3)nnc2-c2ccccc2)cc1 ZINC000000422781 180784656 /nfs/dbraw/zinc/78/46/56/180784656.db2.gz ZDKLOWZTJFCZOJ-UHFFFAOYSA-N 0 0 305.312 4.333 50 0 DIAARN CSc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1 ZINC000000424026 180785126 /nfs/dbraw/zinc/78/51/26/180785126.db2.gz VCXKFPKPYITHAH-INIZCTEOSA-N 0 0 319.426 4.326 50 0 DIAARN CCCC(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000000462134 180798687 /nfs/dbraw/zinc/79/86/87/180798687.db2.gz HXKQRGYMDUXHDL-UHFFFAOYSA-N 0 0 316.788 4.331 50 0 DIAARN Cc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000000443621 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ZINC000004189808 181083086 /nfs/dbraw/zinc/08/30/86/181083086.db2.gz GGUBAOBARFCCSV-KBPBESRZSA-N 0 0 324.182 4.352 50 0 DIAARN COc1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000004192123 181083679 /nfs/dbraw/zinc/08/36/79/181083679.db2.gz OCFOZMCWDIZFJP-UHFFFAOYSA-N 0 0 310.397 4.213 50 0 DIAARN Clc1ccc(CSc2nnc3ccccn32)cc1Cl ZINC000004192906 181084128 /nfs/dbraw/zinc/08/41/28/181084128.db2.gz QTXSKPSZMSWSQT-UHFFFAOYSA-N 0 0 310.209 4.328 50 0 DIAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004216870 181085568 /nfs/dbraw/zinc/08/55/68/181085568.db2.gz WYZDXEKUWRCKOB-YDSAWKJFSA-N 0 0 304.474 4.349 50 0 biogenic,investigational DIAARN O=C(CCc1ccccc1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000004224123 181086511 /nfs/dbraw/zinc/08/65/11/181086511.db2.gz NNEWKFYLEBCYII-UHFFFAOYSA-N 0 0 320.417 4.286 50 0 DIAARN Oc1cccc2ccc(/C=C/c3ccc(Br)o3)nc12 ZINC000004302852 181095121 /nfs/dbraw/zinc/09/51/21/181095121.db2.gz RRYICKYBPXYLCQ-VOTSOKGWSA-N 0 0 316.154 4.466 50 0 DIAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1C ZINC000004310102 181095627 /nfs/dbraw/zinc/09/56/27/181095627.db2.gz COACRQINCMLJOU-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN COc1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004279332 181091779 /nfs/dbraw/zinc/09/17/79/181091779.db2.gz PENVVKIKYKDUTP-UHFFFAOYSA-N 0 0 313.441 4.032 50 0 DIAARN CCCSc1sc(C(=O)OC)c2c1C(=O)CC(C)(C)C2 ZINC000004284545 181092989 /nfs/dbraw/zinc/09/29/89/181092989.db2.gz JPDCVCSAGCKJIF-UHFFFAOYSA-N 0 0 312.456 4.192 50 0 DIAARN COc1ccc(/C=C/c2nc(=O)c(-c3ccccc3)c(C)o2)cc1 ZINC000004317322 181097212 /nfs/dbraw/zinc/09/72/12/181097212.db2.gz NCMSCXKCSDXRIE-JLHYYAGUSA-N 0 0 319.360 4.189 50 0 DIAARN Cc1ccc(C)c2sc(NC(=O)c3ccccc3F)nc21 ZINC000004331317 181098589 /nfs/dbraw/zinc/09/85/89/181098589.db2.gz LPRIVCMXOGRQCI-UHFFFAOYSA-N 0 0 300.358 4.305 50 0 DIAARN CC(C)C(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 ZINC000004340122 181099764 /nfs/dbraw/zinc/09/97/64/181099764.db2.gz XODSWUGVRPBNFC-UHFFFAOYSA-N 0 0 308.333 4.021 50 0 biogenic DIAARN CSc1sc(Br)c2c1C(=O)CC(C)(C)C2 ZINC000004350045 181100926 /nfs/dbraw/zinc/10/09/26/181100926.db2.gz CDEAGQCULNYHDQ-UHFFFAOYSA-N 0 0 305.262 4.388 50 0 DIAARN Cc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1C ZINC000004358680 181101983 /nfs/dbraw/zinc/10/19/83/181101983.db2.gz ZURJLGQMKGIXOK-UHFFFAOYSA-N 0 0 313.401 4.316 50 0 DIAARN CN(C(=O)CSc1nc2ccccc2s1)c1ccccc1 ZINC000004425526 181108863 /nfs/dbraw/zinc/10/88/63/181108863.db2.gz GKTGPPSIEOTGIV-UHFFFAOYSA-N 0 0 314.435 4.051 50 0 DIAARN CCOc1ccc(-c2noc(-c3cccs3)n2)cc1OCC ZINC000004433634 181109796 /nfs/dbraw/zinc/10/97/96/181109796.db2.gz CNLNVKCXPPBBJX-UHFFFAOYSA-N 0 0 316.382 4.263 50 0 DIAARN Clc1ccc(-n2nnc(/C=C/C=C/c3ccccc3)n2)cc1 ZINC000004370258 181103497 /nfs/dbraw/zinc/10/34/97/181103497.db2.gz NQWRDROMEIVPGD-KBXRYBNXSA-N 0 0 308.772 4.042 50 0 DIAARN COc1nc2ccccc2cc1-c1noc(-c2ccccc2F)n1 ZINC000004383826 181104504 /nfs/dbraw/zinc/10/45/04/181104504.db2.gz ZVKWEUQCAAIGDN-UHFFFAOYSA-N 0 0 321.311 4.100 50 0 DIAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 ZINC000004525651 181119967 /nfs/dbraw/zinc/11/99/67/181119967.db2.gz AKWJJXNUHUZOCZ-PBPOAJCHSA-N 0 0 324.449 4.068 50 0 DIAARN O=C(CCc1cccs1)Nc1ccc(Br)cc1 ZINC000004540245 181121839 /nfs/dbraw/zinc/12/18/39/181121839.db2.gz POMMRRIGFPNQNN-UHFFFAOYSA-N 0 0 310.216 4.082 50 0 DIAARN O=C(CCc1cccc(F)c1)Nc1ccccc1C(F)(F)F ZINC000004541932 181121913 /nfs/dbraw/zinc/12/19/13/181121913.db2.gz JBMHPALDGKSBHE-UHFFFAOYSA-N 0 0 311.278 4.416 50 0 DIAARN COc1cccc(NC(=O)/C=C/c2cccc(OC)c2Cl)c1 ZINC000004542752 181122325 /nfs/dbraw/zinc/12/23/25/181122325.db2.gz DFQIZUBKIDSIJH-MDZDMXLPSA-N 0 0 317.772 4.009 50 0 DIAARN CC(=O)O[C@H]1C[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 ZINC000004473145 181111293 /nfs/dbraw/zinc/11/12/93/181111293.db2.gz SBKMXGVIXAFDHO-DLBZAZTESA-N 0 0 317.772 4.112 50 0 DIAARN O=C(/C=C/c1ccccc1)N1CCS[C@@H]1c1ccc(F)cc1 ZINC000004489653 181114678 /nfs/dbraw/zinc/11/46/78/181114678.db2.gz DEOIYWFMEDYBSX-PMQIGOLDSA-N 0 0 313.397 4.113 50 0 DIAARN c1coc(-c2nnc3sc(-c4cccc5ccccc54)nn32)c1 ZINC000004511796 181117587 /nfs/dbraw/zinc/11/75/87/181117587.db2.gz PJLZHUPJCREOEA-UHFFFAOYSA-N 0 0 318.361 4.266 50 0 DIAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1CCCO1 ZINC000004512081 181118198 /nfs/dbraw/zinc/11/81/98/181118198.db2.gz WXIDGPKWDFXFAB-OAHLLOKOSA-N 0 0 324.405 4.081 50 0 DIAARN CCOC(=O)c1sc2sc(-c3cc[nH]n3)c(C)c2c1C ZINC000004555694 181123569 /nfs/dbraw/zinc/12/35/69/181123569.db2.gz SVBMVPPCBMQTCL-UHFFFAOYSA-N 0 0 306.412 4.146 50 0 DIAARN CC(C(=O)N1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000004559704 181124450 /nfs/dbraw/zinc/12/44/50/181124450.db2.gz XXFFWSFSGZOFKX-UHFFFAOYSA-N 0 0 307.437 4.395 50 0 DIAARN CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 ZINC000004567680 181125256 /nfs/dbraw/zinc/12/52/56/181125256.db2.gz PYRNXSINFORHRE-HNENSFHCSA-N 0 0 310.422 4.478 50 0 DIAARN COc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1 ZINC000004570574 181126046 /nfs/dbraw/zinc/12/60/46/181126046.db2.gz NQACVRWYTUYHQZ-UHFFFAOYSA-N 0 0 323.396 4.234 50 0 DIAARN N=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000004578290 181126937 /nfs/dbraw/zinc/12/69/37/181126937.db2.gz VOVGKENESYJTQI-VOWDTPQSSA-N 0 0 314.797 4.396 50 0 DIAARN O=C(OCc1cccc(Cl)c1)c1ccc2ncsc2c1 ZINC000004546795 181123215 /nfs/dbraw/zinc/12/32/15/181123215.db2.gz JHIYTYHJDCKYLG-UHFFFAOYSA-N 0 0 303.770 4.307 50 0 DIAARN COc1ccc(Cc2nnc(/C=C/c3ccc(C)cc3)o2)cc1 ZINC000004657192 181132768 /nfs/dbraw/zinc/13/27/68/181132768.db2.gz DYNYPPBGZGOTAQ-FMIVXFBMSA-N 0 0 306.365 4.148 50 0 DIAARN CCc1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000004666188 181134234 /nfs/dbraw/zinc/13/42/34/181134234.db2.gz UOAHCPHQYKZFLO-UHFFFAOYSA-N 0 0 305.377 4.420 50 0 DIAARN O=C(Oc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000004666484 181134303 /nfs/dbraw/zinc/13/43/03/181134303.db2.gz XTYRDMZUCRUKEW-UHFFFAOYSA-N 0 0 318.328 4.302 50 0 DIAARN CCCSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000004649956 181131942 /nfs/dbraw/zinc/13/19/42/181131942.db2.gz XKUYMUTZXMDQEW-UHFFFAOYSA-N 0 0 316.451 4.462 50 0 DIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl ZINC000004651359 181132172 /nfs/dbraw/zinc/13/21/72/181132172.db2.gz KGXOEHIYVHCAAK-UHFFFAOYSA-N 0 0 303.833 4.286 50 0 DIAARN COC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccccc21 ZINC000004651984 181132233 /nfs/dbraw/zinc/13/22/33/181132233.db2.gz OEDZVBAYFPNSJA-UHFFFAOYSA-N 0 0 321.420 4.489 50 0 DIAARN CCOP(=O)(OCC)[C@H](Nc1cccc(C)n1)c1ccco1 ZINC000004698543 181138356 /nfs/dbraw/zinc/13/83/56/181138356.db2.gz RISHQPLQXKHZJA-HNNXBMFYSA-N 0 0 324.317 4.360 50 0 DIAARN CCCCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000004696240 181138617 /nfs/dbraw/zinc/13/86/17/181138617.db2.gz MDUQSGWXBJOJGD-UHFFFAOYSA-N 0 0 324.424 4.249 50 0 DIAARN O=C(CSc1ccccn1)n1c2ccccc2c2c1CCCC2 ZINC000004676744 181135099 /nfs/dbraw/zinc/13/50/99/181135099.db2.gz LNVORCFNTRYRCA-UHFFFAOYSA-N 0 0 322.433 4.348 50 0 DIAARN O=C(NCCCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000004681030 181135993 /nfs/dbraw/zinc/13/59/93/181135993.db2.gz HZDRWFYAEAWSLP-UHFFFAOYSA-N 0 0 308.208 4.356 50 0 DIAARN Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000004680261 181136062 /nfs/dbraw/zinc/13/60/62/181136062.db2.gz UJVGXUQDKNVTPF-UHFFFAOYSA-N 0 0 309.409 4.200 50 0 DIAARN Cc1cccc(Nc2nc(C(=O)NC3CCCCC3)cs2)c1 ZINC000004687895 181136999 /nfs/dbraw/zinc/13/69/99/181136999.db2.gz HGAQCZQSANQDEE-UHFFFAOYSA-N 0 0 315.442 4.258 50 0 DIAARN O=C(Nc1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000004725430 181143263 /nfs/dbraw/zinc/14/32/63/181143263.db2.gz QKZRGYUHXORTIG-UHFFFAOYSA-N 0 0 304.821 4.430 50 0 DIAARN CCCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000004731537 181143907 /nfs/dbraw/zinc/14/39/07/181143907.db2.gz VHQZMEIJQTZOIA-UHFFFAOYSA-N 0 0 316.213 4.050 50 0 DIAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cn1 ZINC000004733423 181144542 /nfs/dbraw/zinc/14/45/42/181144542.db2.gz YUNUEPONLYRCLW-UHFFFAOYSA-N 0 0 304.821 4.280 50 0 DIAARN CCc1cc(-c2n[nH]cc2Oc2ccccc2)c(O)cc1OC ZINC000004755678 181148840 /nfs/dbraw/zinc/14/88/40/181148840.db2.gz MTAYLTFKZUXGCQ-UHFFFAOYSA-N 0 0 310.353 4.146 50 0 DIAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 ZINC000004755864 181149163 /nfs/dbraw/zinc/14/91/63/181149163.db2.gz UXGVIFQQGVATNS-UHFFFAOYSA-N 0 0 319.286 4.039 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(N(C)C)cc1 ZINC000004773267 181150222 /nfs/dbraw/zinc/15/02/22/181150222.db2.gz YJKNVTLMZUIKOM-UHFFFAOYSA-N 0 0 303.793 4.358 50 0 DIAARN O=C1[C@@H](/C=C/c2ccccc2O)CC[C@H]1/C=C/c1ccccc1O ZINC000004799640 181153406 /nfs/dbraw/zinc/15/34/06/181153406.db2.gz SNNPJVGEEYUFQP-DOKAVIGKSA-N 0 0 320.388 4.420 50 0 DIAARN O=C(C[C@H]1OC(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004802829 181153773 /nfs/dbraw/zinc/15/37/73/181153773.db2.gz WRMAPYKTAWTUIB-ANCGMVAHSA-N 0 0 310.393 4.074 50 0 DIAARN CCOc1cccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000004806852 181153646 /nfs/dbraw/zinc/15/36/46/181153646.db2.gz IXLAHHVUDIZGTH-OAHLLOKOSA-N 0 0 323.436 4.455 50 0 DIAARN CC[C@@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000004807644 181153993 /nfs/dbraw/zinc/15/39/93/181153993.db2.gz PTKURJIIINZOBU-CYBMUJFWSA-N 0 0 321.380 4.388 50 0 DIAARN CC(C)C(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 ZINC000004814343 181155127 /nfs/dbraw/zinc/15/51/27/181155127.db2.gz HECOFWISFDGWCX-UHFFFAOYSA-N 0 0 316.445 4.124 50 0 DIAARN C[C@@H]1CN(C(=S)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000004815994 181155926 /nfs/dbraw/zinc/15/59/26/181155926.db2.gz MDYOJRKMXJIHFF-HUUCEWRRSA-N 0 0 311.450 4.138 50 0 DIAARN Cc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)c(Cl)c1 ZINC000004823840 181157139 /nfs/dbraw/zinc/15/71/39/181157139.db2.gz UDNJDGHEKPSGQE-UHFFFAOYSA-N 0 0 323.787 4.291 50 0 DIAARN Cc1cc2occ(CC(=O)Nc3nccs3)c2cc1Cl ZINC000004840658 181160747 /nfs/dbraw/zinc/16/07/47/181160747.db2.gz VNEQKGJLTLMSAU-UHFFFAOYSA-N 0 0 306.774 4.032 50 0 DIAARN CC(=O)Oc1ccccc1C(=O)Nc1ccc2ccccc2c1 ZINC000004839672 181160758 /nfs/dbraw/zinc/16/07/58/181160758.db2.gz JJNBVFQUCJUXKQ-UHFFFAOYSA-N 0 0 305.333 4.017 50 0 DIAARN Cc1ccc(SCC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000004841814 181161021 /nfs/dbraw/zinc/16/10/21/181161021.db2.gz QRODSYLNZOSZMS-UHFFFAOYSA-N 0 0 323.364 4.327 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccnc1 ZINC000004842213 181161145 /nfs/dbraw/zinc/16/11/45/181161145.db2.gz PDYHEVLSLBXXTK-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN C[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004854584 181163884 /nfs/dbraw/zinc/16/38/84/181163884.db2.gz SXMVILRGSKXBSM-CQSZACIVSA-N 0 0 315.372 4.067 50 0 DIAARN CCCCC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000004842373 181161500 /nfs/dbraw/zinc/16/15/00/181161500.db2.gz QDXVQZRHQCSKNP-UHFFFAOYSA-N 0 0 309.369 4.327 50 0 DIAARN CCC(=O)Oc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000004842971 181161909 /nfs/dbraw/zinc/16/19/09/181161909.db2.gz TYCNKNPDWYSBLJ-UHFFFAOYSA-N 0 0 321.735 4.047 50 0 DIAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccs1 ZINC000004842610 181161948 /nfs/dbraw/zinc/16/19/48/181161948.db2.gz YPRMZQJHBPNXGS-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN Cc1cc(C)c(OCCNC(=O)c2ccccc2Cl)c(C)c1 ZINC000004843132 181161994 /nfs/dbraw/zinc/16/19/94/181161994.db2.gz AOBGUEPTCGTKFW-UHFFFAOYSA-N 0 0 317.816 4.074 50 0 DIAARN Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 ZINC000004889205 181168755 /nfs/dbraw/zinc/16/87/55/181168755.db2.gz IKZTWEDSPREIPW-LFIBNONCSA-N 0 0 309.390 4.232 50 0 DIAARN S=C1NC2(CCCCC2)N=C1c1ccc(Cl)c(Cl)c1 ZINC000004891087 181168811 /nfs/dbraw/zinc/16/88/11/181168811.db2.gz NHHBGXWQHFNWSG-UHFFFAOYSA-N 0 0 313.253 4.374 50 0 DIAARN COc1ccccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004902548 181170719 /nfs/dbraw/zinc/17/07/19/181170719.db2.gz HEZSGGVNWQBAPI-XXWNAHEMSA-N 0 0 313.441 4.030 50 0 DIAARN CCOc1ccc(Cl)cc1C(=O)Nc1cc(C)ccc1O ZINC000004868587 181166517 /nfs/dbraw/zinc/16/65/17/181166517.db2.gz BIFCREXYRDPYIL-UHFFFAOYSA-N 0 0 305.761 4.005 50 0 DIAARN Cc1cc(O[C@H](C)c2nc(-c3ccccn3)no2)ccc1Cl ZINC000004870239 181167232 /nfs/dbraw/zinc/16/72/32/181167232.db2.gz SHVJYQXVUKDGRQ-LLVKDONJSA-N 0 0 315.760 4.233 50 0 DIAARN c1ccc2c(c1)cccc2CNc1ccc(N2CCOCC2)cc1 ZINC000004911745 181172309 /nfs/dbraw/zinc/17/23/09/181172309.db2.gz KXNVOQCSNMLETO-UHFFFAOYSA-N 0 0 318.420 4.289 50 0 DIAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2)nc1 ZINC000004915878 181172388 /nfs/dbraw/zinc/17/23/88/181172388.db2.gz MEVJYUGVHNDINE-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn32)c1 ZINC000004939262 181175709 /nfs/dbraw/zinc/17/57/09/181175709.db2.gz BJKGPUOFUJIBLH-UHFFFAOYSA-N 0 0 324.390 4.328 50 0 DIAARN COc1ccccc1OCCSc1nc2c(cccc2C)[nH]1 ZINC000004943215 181177106 /nfs/dbraw/zinc/17/71/06/181177106.db2.gz IHVGJYKKYCXMFL-UHFFFAOYSA-N 0 0 314.410 4.051 50 0 DIAARN CCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O ZINC000004951986 181178156 /nfs/dbraw/zinc/17/81/56/181178156.db2.gz KLVCUSLQTWILPW-UXBLZVDNSA-N 0 0 302.182 4.050 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)c1ccc(OC2CSC2)cc1 ZINC000004974093 181182369 /nfs/dbraw/zinc/18/23/69/181182369.db2.gz GMAUHGNPQQAGCY-UHFFFAOYSA-N 0 0 319.813 4.087 50 0 DIAARN CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000004971388 181182409 /nfs/dbraw/zinc/18/24/09/181182409.db2.gz IXLDKDCXGZWNDV-UHFFFAOYSA-N 0 0 316.401 4.030 50 0 DIAARN Cc1cccc(C(=O)N[C@H](C)c2nc(-c3cccnc3)cs2)c1 ZINC000075136650 191428821 /nfs/dbraw/zinc/42/88/21/191428821.db2.gz OIRBTSURZDWZEI-CYBMUJFWSA-N 0 0 323.421 4.005 50 0 DIAARN CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004988535 181186091 /nfs/dbraw/zinc/18/60/91/181186091.db2.gz QQRMGUJAOCQHRL-UHFFFAOYSA-N 0 0 316.744 4.121 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=S)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000004999023 181188291 /nfs/dbraw/zinc/18/82/91/181188291.db2.gz SBAVNJRBLYVRCF-MCIONIFRSA-N 0 0 306.475 4.006 50 0 DIAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1 ZINC000005008287 181190184 /nfs/dbraw/zinc/19/01/84/181190184.db2.gz MRXZOAGRZBMGHZ-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 DIAARN O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc2ccccc12 ZINC000005021757 181191916 /nfs/dbraw/zinc/19/19/16/181191916.db2.gz GGAVFTCLDVAWHV-VKAVYKQESA-N 0 0 324.383 4.494 50 0 DIAARN COc1ccc([C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005028112 181192034 /nfs/dbraw/zinc/19/20/34/181192034.db2.gz FXCMJSJQHHHLPX-IVKJLDKCSA-N 0 0 313.441 4.089 50 0 DIAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000005032417 181193833 /nfs/dbraw/zinc/19/38/33/181193833.db2.gz DAYHNAYCKSWMEX-UHFFFAOYSA-N 0 0 324.409 4.410 50 0 DIAARN CCc1cccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)c1 ZINC000005055361 181198011 /nfs/dbraw/zinc/19/80/11/181198011.db2.gz HTZLTGRLHJYOIO-FQEVSTJZSA-N 0 0 318.420 4.473 50 0 DIAARN Cc1cc2nc(NC(=O)CCc3ccccc3)sc2cc1C ZINC000005044951 181196399 /nfs/dbraw/zinc/19/63/99/181196399.db2.gz XVBMMKCAJMHDJJ-UHFFFAOYSA-N 0 0 310.422 4.484 50 0 DIAARN COc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cn1 ZINC000005062366 181199308 /nfs/dbraw/zinc/19/93/08/181199308.db2.gz LQXWNCRHUGQNSB-UHFFFAOYSA-N 0 0 320.348 4.135 50 0 DIAARN CC(C)c1noc([C@@H]2CCCN2Cc2ccc(Cl)s2)n1 ZINC000077385341 191706104 /nfs/dbraw/zinc/70/61/04/191706104.db2.gz WLWRAMINCQLZTJ-NSHDSACASA-N 0 0 311.838 4.245 50 0 DIAARN CCc1cccc2c(C(=O)CSc3nc(C)cs3)c[nH]c21 ZINC000005101443 181203903 /nfs/dbraw/zinc/20/39/03/181203903.db2.gz XZCZRYGXMRYMCG-UHFFFAOYSA-N 0 0 316.451 4.470 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Nc2cccc3nsnc32)cc1 ZINC000005102642 181203928 /nfs/dbraw/zinc/20/39/28/181203928.db2.gz KMWPAOLOAJPLPU-UHFFFAOYSA-N 0 0 311.410 4.241 50 0 DIAARN CCOc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000005108897 181204417 /nfs/dbraw/zinc/20/44/17/181204417.db2.gz LEUBDBCKBYDXCH-UHFFFAOYSA-N 0 0 306.365 4.128 50 0 DIAARN COC(=O)c1ccc(-c2ccco2)n1Cc1cc(C)ccc1C ZINC000005138081 181208884 /nfs/dbraw/zinc/20/88/84/181208884.db2.gz ROXZDKMICXUTAH-UHFFFAOYSA-N 0 0 309.365 4.200 50 0 DIAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000005172437 181213285 /nfs/dbraw/zinc/21/32/85/181213285.db2.gz ZBNTVTXGQNKKKG-SNVBAGLBSA-N 0 0 311.859 4.199 50 0 DIAARN CCN(CCC(F)(F)F)C(=O)Nc1cccc(Cl)c1OC ZINC000078550125 191882566 /nfs/dbraw/zinc/88/25/66/191882566.db2.gz MJVMNOGLMKSCEZ-UHFFFAOYSA-N 0 0 324.730 4.155 50 0 DIAARN CCCCCOc1ccc(NC(=O)Cc2csc(C)n2)cc1 ZINC000005183525 181214552 /nfs/dbraw/zinc/21/45/52/181214552.db2.gz GILGIROOKISKHF-UHFFFAOYSA-N 0 0 318.442 4.202 50 0 DIAARN CCOc1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1 ZINC000078578925 191888917 /nfs/dbraw/zinc/88/89/17/191888917.db2.gz CFRKHFKHCKOYJS-UHFFFAOYSA-N 0 0 317.816 4.101 50 0 DIAARN O=C(NCc1ccccc1)c1ccccc1OCc1ccccc1 ZINC000005171702 181213154 /nfs/dbraw/zinc/21/31/54/181213154.db2.gz GJNREGQQILABEZ-UHFFFAOYSA-N 0 0 317.388 4.196 50 0 DIAARN CCn1cc(NC(=O)Nc2cccc(OC)c2)c2ccccc21 ZINC000005266139 181224291 /nfs/dbraw/zinc/22/42/91/181224291.db2.gz UDVJVTXUVJBJLA-UHFFFAOYSA-N 0 0 309.369 4.314 50 0 DIAARN Cc1ccc2sc(NC(=O)Cc3ccc(F)cc3)nc2c1C ZINC000005268421 181224765 /nfs/dbraw/zinc/22/47/65/181224765.db2.gz YTMMYWZCAMHIFY-UHFFFAOYSA-N 0 0 314.385 4.233 50 0 DIAARN Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000005245434 181221087 /nfs/dbraw/zinc/22/10/87/181221087.db2.gz SCXLNFRGQUJBIP-UHFFFAOYSA-N 0 0 319.857 4.312 50 0 DIAARN Clc1ccc(-c2cc3nccc(-c4cccnc4)n3n2)cc1 ZINC000079489277 191942728 /nfs/dbraw/zinc/94/27/28/191942728.db2.gz NGGUGMONVWDTPN-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000005262286 181223366 /nfs/dbraw/zinc/22/33/66/181223366.db2.gz WBYNFPXAEYYKPV-UHFFFAOYSA-N 0 0 309.818 4.012 50 0 DIAARN C[C@@H](Nc1ncnc2sccc21)c1ccc(-n2ccnc2)cc1 ZINC000005265226 181223652 /nfs/dbraw/zinc/22/36/52/181223652.db2.gz YLNDAAYBAFAVRY-GFCCVEGCSA-N 0 0 321.409 4.050 50 0 DIAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)N1C(C)(C)C ZINC000005382977 181237271 /nfs/dbraw/zinc/23/72/71/181237271.db2.gz PBOUKUQGAPXNSU-LJQANCHMSA-N 0 0 321.424 4.208 50 0 DIAARN CSc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 ZINC000005299088 181227594 /nfs/dbraw/zinc/22/75/94/181227594.db2.gz WLCNHSLDGRCGPT-UHFFFAOYSA-N 0 0 318.398 4.410 50 0 DIAARN CSc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 ZINC000005299089 181227705 /nfs/dbraw/zinc/22/77/05/181227705.db2.gz OAMONDIXOTUEIW-UHFFFAOYSA-N 0 0 318.398 4.410 50 0 DIAARN CC(C)c1cc(N2CCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000005307283 181228356 /nfs/dbraw/zinc/22/83/56/181228356.db2.gz NCQPPOLYXLIGOL-UHFFFAOYSA-N 0 0 306.413 4.120 50 0 DIAARN Cc1noc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1 ZINC000005354291 181233638 /nfs/dbraw/zinc/23/36/38/181233638.db2.gz VEWLCVCFFUWPRU-UHFFFAOYSA-N 0 0 301.729 4.382 50 0 DIAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCC(F)(F)F ZINC000005419235 181241469 /nfs/dbraw/zinc/24/14/69/181241469.db2.gz DBTHVRMENOCMRO-UHFFFAOYSA-N 0 0 307.271 4.187 50 0 DIAARN COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)cc1 ZINC000005426865 181242346 /nfs/dbraw/zinc/24/23/46/181242346.db2.gz TYDIYNFIYQIRCQ-UHFFFAOYSA-N 0 0 311.337 4.040 50 0 DIAARN Cc1cc(C)cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 ZINC000005441635 181243396 /nfs/dbraw/zinc/24/33/96/181243396.db2.gz ARWOXNJJHCEWTR-UHFFFAOYSA-N 0 0 322.408 4.073 50 0 DIAARN COc1ccc2oc(C(=O)NC3CCCCCC3)c(C)c2c1 ZINC000005443342 181244177 /nfs/dbraw/zinc/24/41/77/181244177.db2.gz WJVHYWCRQPTNMA-UHFFFAOYSA-N 0 0 301.386 4.202 50 0 DIAARN Cc1ccc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2n1 ZINC000005468564 181247405 /nfs/dbraw/zinc/24/74/05/181247405.db2.gz BYCSSSJBCMKPTQ-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN Cc1ccc(NC(=O)COc2cccc3ccc(C)nc32)c(C)c1 ZINC000005468636 181247448 /nfs/dbraw/zinc/24/74/48/181247448.db2.gz VJNFZLFTWCJAFJ-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN Cc1nc2ccc(C(=O)O[C@@H](C)c3ccc(F)cc3)cc2nc1C ZINC000005518799 181252604 /nfs/dbraw/zinc/25/26/04/181252604.db2.gz JRNHXYSGWNIHNZ-ZDUSSCGKSA-N 0 0 324.355 4.304 50 0 DIAARN Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000005549194 181256264 /nfs/dbraw/zinc/25/62/64/181256264.db2.gz SHSZNSUQZHBERG-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000005557515 181256633 /nfs/dbraw/zinc/25/66/33/181256633.db2.gz CEBZVRDOEQOYOX-HNNXBMFYSA-N 0 0 319.408 4.068 50 0 DIAARN CCOc1ccc(OCCCC(=O)Nc2ccc(F)cc2)cc1 ZINC000005558742 181257421 /nfs/dbraw/zinc/25/74/21/181257421.db2.gz LQORRBJDPOVNBV-UHFFFAOYSA-N 0 0 317.360 4.022 50 0 DIAARN CC(C)(C)OC(=O)n1ccnc1-c1ccc(Br)cc1 ZINC000080820033 192194550 /nfs/dbraw/zinc/19/45/50/192194550.db2.gz HVXAVAYCHCHGSS-UHFFFAOYSA-N 0 0 323.190 4.096 50 0 DIAARN O=c1nc2n(c3cc(-c4ccccc4)sc31)Cc1ccccc1-2 ZINC000005600096 181262293 /nfs/dbraw/zinc/26/22/93/181262293.db2.gz LWTAESZUTAWRMW-UHFFFAOYSA-N 0 0 316.385 4.154 50 0 DIAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12CC(C)=C(C)CS2 ZINC000005602920 181262459 /nfs/dbraw/zinc/26/24/59/181262459.db2.gz SYTPPPINRXBZHH-INIZCTEOSA-N 0 0 320.845 4.275 50 0 DIAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000005598829 181262510 /nfs/dbraw/zinc/26/25/10/181262510.db2.gz SJOUGUUIGLUFIH-UHFFFAOYSA-N 0 0 316.209 4.103 50 0 DIAARN O=C1O/C(=C\c2ccc(Br)cc2)c2ccccc21 ZINC000005604664 181262876 /nfs/dbraw/zinc/26/28/76/181262876.db2.gz GBOCONZWDUTOQA-ZROIWOOFSA-N 0 0 301.139 4.118 50 0 DIAARN CCSc1nc2scc(-c3cccs3)c2c(=O)n1CC ZINC000005583401 181260813 /nfs/dbraw/zinc/26/08/13/181260813.db2.gz RADBMEGMTLDODY-UHFFFAOYSA-N 0 0 322.480 4.318 50 0 DIAARN CCCOc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 ZINC000005607381 181262968 /nfs/dbraw/zinc/26/29/68/181262968.db2.gz NVHZXCPFYXDBNT-UHFFFAOYSA-N 0 0 316.426 4.338 50 0 DIAARN O=c1cc(CSc2c(Cl)cccc2Cl)[nH]c(=S)[nH]1 ZINC000005626207 181265197 /nfs/dbraw/zinc/26/51/97/181265197.db2.gz QWPLJEDFPFRPGF-UHFFFAOYSA-N 0 0 319.238 4.032 50 0 DIAARN C[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000005627462 181265349 /nfs/dbraw/zinc/26/53/49/181265349.db2.gz DVLQEGUBZZHIOF-CQSZACIVSA-N 0 0 322.433 4.204 50 0 DIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1Cl ZINC000005612488 181263478 /nfs/dbraw/zinc/26/34/78/181263478.db2.gz GYYPSIYUYWTWFP-UHFFFAOYSA-N 0 0 321.823 4.425 50 0 DIAARN CCCCSc1nnc(N(C)C(=O)Nc2ccccc2)s1 ZINC000005615259 181263960 /nfs/dbraw/zinc/26/39/60/181263960.db2.gz RPYKGPFBFOESFI-UHFFFAOYSA-N 0 0 322.459 4.099 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1C ZINC000005618110 181264679 /nfs/dbraw/zinc/26/46/79/181264679.db2.gz WAGJEBNQSMAFLS-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN COc1cccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005677244 181270649 /nfs/dbraw/zinc/27/06/49/181270649.db2.gz ZRWUXTXECMCTGA-XXWNAHEMSA-N 0 0 313.441 4.030 50 0 DIAARN Nc1nc2nc(-c3cccs3)cc(C(F)(F)Cl)c2s1 ZINC000005688294 181272758 /nfs/dbraw/zinc/27/27/58/181272758.db2.gz KDTILLDXOIGLCA-UHFFFAOYSA-N 0 0 317.773 4.290 50 0 DIAARN Cc1ccc(F)cc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000005688178 181273043 /nfs/dbraw/zinc/27/30/43/181273043.db2.gz HPYUMFHDKGSVNL-UHFFFAOYSA-N 0 0 303.764 4.458 50 0 DIAARN Cc1cc(CSc2nnc(Nc3cccc(C)c3)s2)no1 ZINC000005702330 181274990 /nfs/dbraw/zinc/27/49/90/181274990.db2.gz LKGLSWHTIZMKSE-UHFFFAOYSA-N 0 0 318.427 4.179 50 0 DIAARN COc1ccc(C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000005701438 181274197 /nfs/dbraw/zinc/27/41/97/181274197.db2.gz DDJFOYURVOUHFN-UHFFFAOYSA-N 0 0 309.287 4.275 50 0 DIAARN Clc1ccc2c(c1)nccc2NNc1cccc(Cl)n1 ZINC000005740865 181279254 /nfs/dbraw/zinc/27/92/54/181279254.db2.gz JADUQHHFQNHENF-UHFFFAOYSA-N 0 0 305.168 4.376 50 0 DIAARN Cc1nc(C(=O)NC2CCCCC2)cc2c3ccccc3[nH]c21 ZINC000005730236 181277643 /nfs/dbraw/zinc/27/76/43/181277643.db2.gz CZZSMCKHTKKXLA-UHFFFAOYSA-N 0 0 307.397 4.087 50 0 biogenic DIAARN O=C(Nc1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000005785950 181283513 /nfs/dbraw/zinc/28/35/13/181283513.db2.gz XFLTUBVBPKZKDY-UHFFFAOYSA-N 0 0 321.367 4.443 50 0 DIAARN CC1(C)CCc2c(cc(O)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000005825839 181287164 /nfs/dbraw/zinc/28/71/64/181287164.db2.gz BDWAFTUVPZWXIV-UHFFFAOYSA-N 0 0 322.360 4.269 50 0 biogenic DIAARN C/C(=C\c1ccccc1)CNc1ccc([S@](C)=O)c(F)c1 ZINC000178250745 198838257 /nfs/dbraw/zinc/83/82/57/198838257.db2.gz ZEFFAHHKUDVGFE-BGVYSJOJSA-N 0 0 303.402 4.079 50 0 DIAARN Cc1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 ZINC000005937131 181298133 /nfs/dbraw/zinc/29/81/33/181298133.db2.gz NWFLEUKRCKWXQN-CWRNSKLLSA-N 0 0 305.487 4.336 50 0 DIAARN CCCCc1ccc(NC(=O)CNc2cccc(C(C)=O)c2)cc1 ZINC000005940055 181298543 /nfs/dbraw/zinc/29/85/43/181298543.db2.gz DHVADZMEVDXNNB-UHFFFAOYSA-N 0 0 324.424 4.282 50 0 DIAARN COc1cccc(Cl)c1CNc1ccc(F)c(NC(C)=O)c1 ZINC000089785110 192868180 /nfs/dbraw/zinc/86/81/80/192868180.db2.gz NAHCUDVBKHPIHO-UHFFFAOYSA-N 0 0 322.767 4.058 50 0 DIAARN CCc1ccc(Oc2nnnn2-c2ccccc2)c(C(C)(C)C)c1 ZINC000005959765 181301257 /nfs/dbraw/zinc/30/12/57/181301257.db2.gz APWXAZGFGVIMNY-UHFFFAOYSA-N 0 0 322.412 4.315 50 0 DIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2C)n1 ZINC000005982050 181303556 /nfs/dbraw/zinc/30/35/56/181303556.db2.gz MCAVCAKWRHDGEU-UHFFFAOYSA-N 0 0 316.360 4.478 50 0 biogenic DIAARN CCc1nc2ccccc2c(C(=O)OCc2ccccc2)c1C ZINC000005995618 181303975 /nfs/dbraw/zinc/30/39/75/181303975.db2.gz YZSMQAMOJDPRNY-UHFFFAOYSA-N 0 0 305.377 4.463 50 0 DIAARN CN1C(=O)/C(=C/c2cc(Br)cs2)c2ccccc21 ZINC000006007796 181305520 /nfs/dbraw/zinc/30/55/20/181305520.db2.gz BOPYVRQHUDEGFS-KPKJPENVSA-N 0 0 320.211 4.028 50 0 DIAARN C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006030257 181307145 /nfs/dbraw/zinc/30/71/45/181307145.db2.gz YWYQTGBBEZQBGO-CGVINKDUSA-N 0 0 320.517 4.387 50 0 endogenous,in-man DIAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000006053517 181308444 /nfs/dbraw/zinc/30/84/44/181308444.db2.gz KJVXXSKSHAIIMC-UHFFFAOYSA-N 0 0 303.833 4.286 50 0 DIAARN CNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1 ZINC000006044398 181307668 /nfs/dbraw/zinc/30/76/68/181307668.db2.gz QHOKRYUWHHKKFG-UHFFFAOYSA-N 0 0 320.400 4.017 50 0 DIAARN COc1ccc(F)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006063747 181309861 /nfs/dbraw/zinc/30/98/61/181309861.db2.gz SPHMTFUBBRGXMY-UHFFFAOYSA-N 0 0 318.388 4.094 50 0 DIAARN O=C(COc1ccc(Cl)cc1C1CCCCC1)NC1CC1 ZINC000006083154 181311509 /nfs/dbraw/zinc/31/15/09/181311509.db2.gz UPOXWEDIQXGRJL-UHFFFAOYSA-N 0 0 307.821 4.045 50 0 DIAARN CC(C)c1cc(CN(C)Cc2cncn2C2CCCCC2)no1 ZINC000244601918 202484125 /nfs/dbraw/zinc/48/41/25/202484125.db2.gz DUJVGFWEAITNNO-UHFFFAOYSA-N 0 0 316.449 4.132 50 0 DIAARN CCn1c(=O)c2ccccc2nc1SC/C=C/c1ccccc1 ZINC000006094125 181311972 /nfs/dbraw/zinc/31/19/72/181311972.db2.gz CDISHHVSFQKTCG-DHZHZOJOSA-N 0 0 322.433 4.222 50 0 DIAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C)c2)C1 ZINC000006119484 181313689 /nfs/dbraw/zinc/31/36/89/181313689.db2.gz UEUPRDMJDINFGH-GFCCVEGCSA-N 0 0 314.454 4.406 50 0 DIAARN Fc1ccccc1-n1cnnc1SC/C=C/c1ccccc1 ZINC000006129337 181315019 /nfs/dbraw/zinc/31/50/19/181315019.db2.gz UXXCJAMWNGYYGS-RMKNXTFCSA-N 0 0 311.385 4.212 50 0 DIAARN COc1ccc(C=O)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000006145930 181315850 /nfs/dbraw/zinc/31/58/50/181315850.db2.gz LKQDWFDVVOZBJX-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN CCc1cccc(C)c1NC(=O)CSCc1c(C)noc1C ZINC000006152414 181316619 /nfs/dbraw/zinc/31/66/19/181316619.db2.gz GNDXQMIEPSNIBR-UHFFFAOYSA-N 0 0 318.442 4.034 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000006152509 181316688 /nfs/dbraw/zinc/31/66/88/181316688.db2.gz ODVJSDWNEGWZAT-UHFFFAOYSA-N 0 0 311.278 4.366 50 0 DIAARN Cc1nnc(-c2ccco2)c2cn(-c3cccc(Cl)c3)nc21 ZINC000006188473 181318526 /nfs/dbraw/zinc/31/85/26/181318526.db2.gz VZAMRVGVMIXBKM-UHFFFAOYSA-N 0 0 310.744 4.037 50 0 DIAARN CCCN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc21 ZINC000006204440 181319099 /nfs/dbraw/zinc/31/90/99/181319099.db2.gz AGIDTODJMXAOMS-FQEVSTJZSA-N 0 0 318.420 4.442 50 0 DIAARN C[C@H](NC(=O)c1ccccc1Br)c1cccs1 ZINC000006220420 181320393 /nfs/dbraw/zinc/32/03/93/181320393.db2.gz OYWFDBSOKNOZKF-VIFPVBQESA-N 0 0 310.216 4.002 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)C3CCC3)n2)cc1C ZINC000006260874 181324517 /nfs/dbraw/zinc/32/45/17/181324517.db2.gz KNDKNGARMUDFIJ-UHFFFAOYSA-N 0 0 300.427 4.474 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1NC(=S)Nc1ccccc1 ZINC000006275627 181325485 /nfs/dbraw/zinc/32/54/85/181325485.db2.gz JQHPSXNDKZFEKB-UHFFFAOYSA-N 0 0 322.437 4.298 50 0 DIAARN O=C(Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 ZINC000006328927 181330434 /nfs/dbraw/zinc/33/04/34/181330434.db2.gz WRVAHEXIDOLJTN-UHFFFAOYSA-N 0 0 311.715 4.123 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000006336572 181331579 /nfs/dbraw/zinc/33/15/79/181331579.db2.gz NOOVJXOQXXBIJJ-UHFFFAOYSA-N 0 0 316.445 4.436 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000006336822 181331496 /nfs/dbraw/zinc/33/14/96/181331496.db2.gz ZODUKZPPRRVBIT-UHFFFAOYSA-N 0 0 321.823 4.107 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1F)c1cnc(Cl)c(Cl)c1 ZINC000006376365 181335115 /nfs/dbraw/zinc/33/51/15/181335115.db2.gz LCPUBIVRZFOQPA-UHFFFAOYSA-N 0 0 321.085 4.058 50 0 DIAARN CN1C(=O)/C(=C/c2cccs2)c2cc(Br)ccc21 ZINC000006497686 181346474 /nfs/dbraw/zinc/34/64/74/181346474.db2.gz CLFDXVAANPRTMV-XYOKQWHBSA-N 0 0 320.211 4.028 50 0 DIAARN CCc1c(C)scc1C1N=NC(=S)N1Cc1ccccc1 ZINC000006519533 181348927 /nfs/dbraw/zinc/34/89/27/181348927.db2.gz UTHTVLYHARKYPZ-UHFFFAOYSA-N 0 0 315.467 4.214 50 0 DIAARN CC[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1Cl ZINC000006510163 181347923 /nfs/dbraw/zinc/34/79/23/181347923.db2.gz UUXCRRLVSXMXKY-CYBMUJFWSA-N 0 0 317.816 4.447 50 0 DIAARN CCc1ccc(Nc2nnc(SCCSC)s2)cc1 ZINC000006510346 181348067 /nfs/dbraw/zinc/34/80/67/181348067.db2.gz UUFHOIUHABRQEI-UHFFFAOYSA-N 0 0 311.501 4.299 50 0 DIAARN O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)ccc1Cl ZINC000006526210 181349787 /nfs/dbraw/zinc/34/97/87/181349787.db2.gz KRWXDOQKUCEZFU-UHFFFAOYSA-N 0 0 313.209 4.191 50 0 DIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)cc1F ZINC000245170855 202510751 /nfs/dbraw/zinc/51/07/51/202510751.db2.gz XJGAADNIMPDSSI-NSHDSACASA-N 0 0 315.319 4.072 50 0 DIAARN O=C(OCCSc1nc2ccccc2s1)c1ccccc1 ZINC000006529182 181350348 /nfs/dbraw/zinc/35/03/48/181350348.db2.gz LHSLHJAGUROIRU-UHFFFAOYSA-N 0 0 315.419 4.245 50 0 DIAARN CC(=O)CCc1c(C)[nH]c2ccc(Br)cc2c1=S ZINC000006533709 181350956 /nfs/dbraw/zinc/35/09/56/181350956.db2.gz RRVZTMWGDNCEQV-UHFFFAOYSA-N 0 0 324.243 4.490 50 0 DIAARN Cc1sc2[nH]c(=S)n(-c3cc(C)ccc3C)c(=O)c2c1C ZINC000006536357 181351595 /nfs/dbraw/zinc/35/15/95/181351595.db2.gz MWMKKZYSLZBJIJ-UHFFFAOYSA-N 0 0 316.451 4.343 50 0 DIAARN Cc1cc(C)c(NC(=O)CSc2ccc(F)cc2)c(C)c1 ZINC000002875519 541305778 /nfs/dbraw/zinc/30/57/78/541305778.db2.gz QSAPSQMFOTUEHM-UHFFFAOYSA-N 0 0 303.402 4.482 50 0 DIAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccccc1F ZINC000006540224 181352036 /nfs/dbraw/zinc/35/20/36/181352036.db2.gz RAZTTXHVPZBFGW-UHFFFAOYSA-N 0 0 317.747 4.464 50 0 DIAARN O=C(Nc1nc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000006549490 181353117 /nfs/dbraw/zinc/35/31/17/181353117.db2.gz YKSGIIHTBSYVHC-UHFFFAOYSA-N 0 0 307.136 4.387 50 0 DIAARN CC(=O)Nc1ccc(OC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000006550676 181353451 /nfs/dbraw/zinc/35/34/51/181353451.db2.gz GSMLPOOAKXXYKW-UHFFFAOYSA-N 0 0 318.760 4.218 50 0 DIAARN Cc1cccc(OCCC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000006552773 181353959 /nfs/dbraw/zinc/35/39/59/181353959.db2.gz PRFGFFYQSOOEGM-UHFFFAOYSA-N 0 0 324.424 4.003 50 0 DIAARN CN1c2ccccc2C(=CNc2cccc3ccccc32)C1=O ZINC000006557259 181354129 /nfs/dbraw/zinc/35/41/29/181354129.db2.gz WFKMFPZJYVAXNJ-GHRIWEEISA-N 0 0 300.361 4.269 50 0 DIAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)c1 ZINC000006559126 181354970 /nfs/dbraw/zinc/35/49/70/181354970.db2.gz AOYQZCXRZAXZTE-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN O=C(CCOc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000006582665 181356802 /nfs/dbraw/zinc/35/68/02/181356802.db2.gz RZHPLNDFLPRNGR-UHFFFAOYSA-N 0 0 324.424 4.085 50 0 DIAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000006609601 181360689 /nfs/dbraw/zinc/36/06/89/181360689.db2.gz YBSOCFBPHYHRIA-UHFFFAOYSA-N 0 0 304.349 4.010 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1C1CCCCC1 ZINC000006609872 181360788 /nfs/dbraw/zinc/36/07/88/181360788.db2.gz HFKLWIHLGKGYPV-UHFFFAOYSA-N 0 0 322.412 4.051 50 0 DIAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)cc1 ZINC000006609419 181360874 /nfs/dbraw/zinc/36/08/74/181360874.db2.gz KPVKTDFPJJYBBQ-ZDUSSCGKSA-N 0 0 324.405 4.409 50 0 DIAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCc1ccccc1 ZINC000006628294 181363232 /nfs/dbraw/zinc/36/32/32/181363232.db2.gz LNVJMWGESSBZBL-MDZDMXLPSA-N 0 0 319.326 4.078 50 0 DIAARN O=C(c1c(-c2ccccc2)nc2sccn21)c1ccc(F)cc1 ZINC000006650851 181365129 /nfs/dbraw/zinc/36/51/29/181365129.db2.gz OZXRZDUZLLJZTJ-UHFFFAOYSA-N 0 0 322.364 4.433 50 0 DIAARN O=C(c1nccc2ccccc21)N(Cc1ccccc1)C1CC1 ZINC000006670901 181368834 /nfs/dbraw/zinc/36/88/34/181368834.db2.gz UBUWSYACPNFWEP-UHFFFAOYSA-N 0 0 302.377 4.040 50 0 DIAARN CC1(C)COC(c2ccccc2NC(=O)c2cccs2)OC1 ZINC000006668282 181368028 /nfs/dbraw/zinc/36/80/28/181368028.db2.gz LGQOAFHYKYBYEV-UHFFFAOYSA-N 0 0 317.410 4.072 50 0 DIAARN Fc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000006703305 181374253 /nfs/dbraw/zinc/37/42/53/181374253.db2.gz FQVHMFIRRHSYAK-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccco1 ZINC000006704476 181375197 /nfs/dbraw/zinc/37/51/97/181375197.db2.gz SAIZLFZLWJPOKJ-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC000006715734 181375913 /nfs/dbraw/zinc/37/59/13/181375913.db2.gz RUTDMUHCELPWET-HNNXBMFYSA-N 0 0 318.376 4.365 50 0 DIAARN COc1cccc([C@H](C)NC(=O)Nc2ccccc2Cl)c1 ZINC000006725369 181377576 /nfs/dbraw/zinc/37/75/76/181377576.db2.gz IKLDHFZXVBHROA-NSHDSACASA-N 0 0 304.777 4.231 50 0 DIAARN Fc1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1 ZINC000006729045 181378284 /nfs/dbraw/zinc/37/82/84/181378284.db2.gz SBYGMBBNDBQTFQ-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000006745815 181381574 /nfs/dbraw/zinc/38/15/74/181381574.db2.gz DYQXCCALCHYJFF-SFHVURJKSA-N 0 0 324.424 4.176 50 0 DIAARN CC[C@@H](O)c1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000006745823 181381577 /nfs/dbraw/zinc/38/15/77/181381577.db2.gz DYQXCCALCHYJFF-GOSISDBHSA-N 0 0 324.424 4.176 50 0 DIAARN COc1cccc(OCc2nc3ccccc3n2CC(C)C)c1 ZINC000006753108 181383358 /nfs/dbraw/zinc/38/33/58/181383358.db2.gz ZEBRNGMUQHRBHA-UHFFFAOYSA-N 0 0 310.397 4.280 50 0 DIAARN COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(OC)c1 ZINC000006758878 181384762 /nfs/dbraw/zinc/38/47/62/181384762.db2.gz MIFGLWQRGGIFFF-UHFFFAOYSA-N 0 0 324.380 4.054 50 0 DIAARN CCCOc1ccc(C(=O)Nc2cccc3cccnc32)cc1 ZINC000006779056 181386498 /nfs/dbraw/zinc/38/64/98/181386498.db2.gz JUTYZDWAZNGXDI-UHFFFAOYSA-N 0 0 306.365 4.276 50 0 DIAARN Clc1ccc2c(c1)nc(Cc1ccccc1)nc2N1CCCC1 ZINC000006773700 181386588 /nfs/dbraw/zinc/38/65/88/181386588.db2.gz YRMJNXZSVQXYRN-UHFFFAOYSA-N 0 0 323.827 4.474 50 0 DIAARN Cc1cccc(Nc2nnc(SC[C@H]3CCCCO3)s2)c1 ZINC000006784826 181387807 /nfs/dbraw/zinc/38/78/07/181387807.db2.gz OJDODSHGHIABNJ-CYBMUJFWSA-N 0 0 321.471 4.251 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000006787178 181388056 /nfs/dbraw/zinc/38/80/56/181388056.db2.gz HJEWWAUAECXCPN-UHFFFAOYSA-N 0 0 313.250 4.285 50 0 DIAARN Cc1noc(C)c1CSCc1cc(=O)oc2cc(C)ccc12 ZINC000006787155 181388345 /nfs/dbraw/zinc/38/83/45/181388345.db2.gz WTLHLZFYPFAQRW-UHFFFAOYSA-N 0 0 315.394 4.140 50 0 DIAARN Cc1cc(C)c(C)c(SCC(=O)NCc2cccs2)c1C ZINC000006788104 181388830 /nfs/dbraw/zinc/38/88/30/181388830.db2.gz UFGMHTAKEMGPMO-UHFFFAOYSA-N 0 0 319.495 4.390 50 0 DIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(Cl)c1 ZINC000006789745 181388909 /nfs/dbraw/zinc/38/89/09/181388909.db2.gz DIWAHZIAXYOPCA-UHFFFAOYSA-N 0 0 316.813 4.222 50 0 DIAARN CC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000006790680 181389764 /nfs/dbraw/zinc/38/97/64/181389764.db2.gz XZRSSOWGSPXXLS-UHFFFAOYSA-N 0 0 322.191 4.377 50 0 DIAARN CCc1ccccc1Nc1c(=O)c(=O)c1-c1ccc(C(C)C)cc1 ZINC000006793244 181389885 /nfs/dbraw/zinc/38/98/85/181389885.db2.gz JAZBVVTYETVYSQ-UHFFFAOYSA-N 0 0 319.404 4.379 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000006796688 181390665 /nfs/dbraw/zinc/39/06/65/181390665.db2.gz GGXBBNGTVHEWBK-ONNFQVAWSA-N 0 0 301.773 4.309 50 0 DIAARN Cc1ccc(C)c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c1 ZINC000006811378 181393261 /nfs/dbraw/zinc/39/32/61/181393261.db2.gz DIAYRRPULJHFTC-UHFFFAOYSA-N 0 0 321.376 4.279 50 0 DIAARN Cc1ccc2c(=O)cc(C(=O)Nc3cccc(Cl)c3)oc2c1 ZINC000006811237 181393299 /nfs/dbraw/zinc/39/32/99/181393299.db2.gz HICZRGIRZBYIGL-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN CCc1ccc2oc(C(=O)Nc3cc(C)ccc3C)cc(=O)c2c1 ZINC000006811274 181393412 /nfs/dbraw/zinc/39/34/12/181393412.db2.gz DMCYZQQZYSIYGX-UHFFFAOYSA-N 0 0 321.376 4.225 50 0 DIAARN CCc1ccc2oc(C(=O)Nc3ccc(C)c(C)c3)cc(=O)c2c1 ZINC000006811275 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C/C=C/C=C/C(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025896631 182424764 /nfs/dbraw/zinc/42/47/64/182424764.db2.gz ZOFIFQKRFUKTDW-NLBYTWITSA-N 0 0 309.434 4.355 50 0 DIAARN O=C(NC1CCC(c2ccccc2)CC1)c1ccc2[nH]cnc2c1 ZINC000025646714 182419331 /nfs/dbraw/zinc/41/93/31/182419331.db2.gz OFSSGOVULMTBGD-UHFFFAOYSA-N 0 0 319.408 4.019 50 0 DIAARN Cc1cccc(OCCC(=O)Nc2nc(C3CC3)cs2)c1C ZINC000026106050 182430048 /nfs/dbraw/zinc/43/00/48/182430048.db2.gz XOOBLNAKDNDIOU-UHFFFAOYSA-N 0 0 316.426 4.045 50 0 DIAARN COC(=O)[C@@H]1CCCCN1Cc1sc2ccccc2c1Cl ZINC000027562794 182480241 /nfs/dbraw/zinc/48/02/41/182480241.db2.gz YJXKUGFFRBKDRT-LBPRGKRZSA-N 0 0 323.845 4.082 50 0 DIAARN O=C1C[C@H](c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100208277 193795981 /nfs/dbraw/zinc/79/59/81/193795981.db2.gz ZQXURZCNHXOOIY-CQSZACIVSA-N 0 0 320.175 4.041 50 0 DIAARN Cc1cc2ccccc2n1CC(=O)Nc1ccc2oc(C)nc2c1 ZINC000029796227 182577326 /nfs/dbraw/zinc/57/73/26/182577326.db2.gz BZNGCSFJAMAXSR-UHFFFAOYSA-N 0 0 319.364 4.038 50 0 DIAARN 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183933558 /nfs/dbraw/zinc/93/35/58/183933558.db2.gz PIMXCCQZFNOFBR-UHFFFAOYSA-N 0 0 321.376 4.022 50 0 biogenic DIAARN CC(C)[C@H](C)N(Cc1ccco1)Cc1nc2ccccc2n1C ZINC000055309650 183978844 /nfs/dbraw/zinc/97/88/44/183978844.db2.gz XRIUGZCOJNNHGP-HNNXBMFYSA-N 0 0 311.429 4.213 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccccn2)o1 ZINC000055522502 183989948 /nfs/dbraw/zinc/98/99/48/183989948.db2.gz AIFPTSBRZJKFMB-UWWQBHOKSA-N 0 0 324.424 4.094 50 0 DIAARN CC(C)N(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 ZINC000056358724 184011555 /nfs/dbraw/zinc/01/15/55/184011555.db2.gz PPYIFUZVLGCPDQ-UHFFFAOYSA-N 0 0 303.793 4.178 50 0 DIAARN Cc1cc2ncn(CN(Cc3ccc(F)cc3)C3CC3)c2cc1C ZINC000057289869 184032184 /nfs/dbraw/zinc/03/21/84/184032184.db2.gz LKIMMJOQKWTBGT-UHFFFAOYSA-N 0 0 323.415 4.414 50 0 DIAARN Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000057340130 184033738 /nfs/dbraw/zinc/03/37/38/184033738.db2.gz CPENLXZUDDVEDZ-UHFFFAOYSA-N 0 0 302.377 4.497 50 0 DIAARN Cc1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 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ZINC000057977275 184064202 /nfs/dbraw/zinc/06/42/02/184064202.db2.gz UJNWABGBSXITRW-TZZQJPOUSA-N 0 0 307.349 4.100 50 0 DIAARN CCn1cc2ccc(NC(=O)CCCc3cccs3)cc2n1 ZINC000058015242 184067436 /nfs/dbraw/zinc/06/74/36/184067436.db2.gz BYVVAENUFHWOIF-UHFFFAOYSA-N 0 0 313.426 4.079 50 0 DIAARN CC[C@H](Sc1nnc(-c2cccnc2)n1C)c1ccccc1 ZINC000058209906 184088016 /nfs/dbraw/zinc/08/80/16/184088016.db2.gz MOHKUDBPKOQZQE-HNNXBMFYSA-N 0 0 310.426 4.121 50 0 DIAARN C[C@@H](c1ccncc1)N(C)C(=O)c1cc2c(cccc2F)s1 ZINC000058216961 184089292 /nfs/dbraw/zinc/08/92/92/184089292.db2.gz XEHOFWHPXUJULY-NSHDSACASA-N 0 0 314.385 4.269 50 0 DIAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(C)=O)c[nH]1 ZINC000058218135 184089785 /nfs/dbraw/zinc/08/97/85/184089785.db2.gz STEADCDEEZWMPR-MJGOQNOKSA-N 0 0 324.424 4.016 50 0 DIAARN O=C(CNCc1ccccc1Cl)Nc1cccc2ccccc21 ZINC000058123233 184077388 /nfs/dbraw/zinc/07/73/88/184077388.db2.gz XNUVQXHHQQHEIY-UHFFFAOYSA-N 0 0 324.811 4.222 50 0 DIAARN Cc1ccc(C)c(C[S@](=O)CCCOc2ccc(F)cc2)c1 ZINC000058132502 184078736 /nfs/dbraw/zinc/07/87/36/184078736.db2.gz LAQAICYXZFAVRM-QFIPXVFZSA-N 0 0 320.429 4.160 50 0 DIAARN CCN(C(=O)c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000058133436 184079425 /nfs/dbraw/zinc/07/94/25/184079425.db2.gz CHYKHZBMSMKZFN-UHFFFAOYSA-N 0 0 319.360 4.235 50 0 DIAARN CN(Cc1cscn1)C(=O)c1ccccc1Oc1ccccc1 ZINC000058354974 184107951 /nfs/dbraw/zinc/10/79/51/184107951.db2.gz AQBCXCQEPUATNP-UHFFFAOYSA-N 0 0 324.405 4.208 50 0 DIAARN Nc1c(Cl)cc(NC(=O)c2cc3ccccc3[nH]2)cc1Cl ZINC000058380321 184110900 /nfs/dbraw/zinc/11/09/00/184110900.db2.gz TWXXVLVYJIFYEF-UHFFFAOYSA-N 0 0 320.179 4.309 50 0 DIAARN C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1ccncc1 ZINC000058298846 184102456 /nfs/dbraw/zinc/10/24/56/184102456.db2.gz KJVDLWZEVLUHPT-HNNXBMFYSA-N 0 0 319.408 4.137 50 0 DIAARN Cc1oc(C)c(C(=O)Nc2cccc(Oc3ncccn3)c2)c1C ZINC000058413320 184114879 /nfs/dbraw/zinc/11/48/79/184114879.db2.gz IHDINUIIQKBJGM-UHFFFAOYSA-N 0 0 323.352 4.039 50 0 DIAARN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1nccc2ccccc21 ZINC000058420081 184116054 /nfs/dbraw/zinc/11/60/54/184116054.db2.gz DWDDCCKXYHLIAV-UONOGXRCSA-N 0 0 322.330 4.086 50 0 DIAARN O=C(Nc1cccc2cnccc21)N1CCC[C@H](C(F)(F)F)C1 ZINC000058424285 184116592 /nfs/dbraw/zinc/11/65/92/184116592.db2.gz YVRJPXRWJMZRFO-LBPRGKRZSA-N 0 0 323.318 4.041 50 0 DIAARN Cc1ccc([C@@H](C)N(C)c2nccc(C(F)(F)F)n2)c(C)c1 ZINC000058439147 184118231 /nfs/dbraw/zinc/11/82/31/184118231.db2.gz HXAUVGSJPLSLGM-GFCCVEGCSA-N 0 0 309.335 4.310 50 0 DIAARN CSc1sc(NC(=O)c2ccc(F)cc2Cl)nc1C ZINC000058439305 184118310 /nfs/dbraw/zinc/11/83/10/184118310.db2.gz KQXNKQKBDMXURO-UHFFFAOYSA-N 0 0 316.810 4.218 50 0 DIAARN CCc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 ZINC000058442158 184119086 /nfs/dbraw/zinc/11/90/86/184119086.db2.gz RGLLSEJHZOTHDY-UHFFFAOYSA-N 0 0 319.433 4.471 50 0 DIAARN CCN(CC)C(=O)/C=C/c1cccc(OCc2ccccc2)c1 ZINC000058474868 184120092 /nfs/dbraw/zinc/12/00/92/184120092.db2.gz IKWVVAMUVZBIMG-BUHFOSPRSA-N 0 0 309.409 4.147 50 0 DIAARN c1cn(-c2ccccc2)nc1CSc1nc2ccccc2o1 ZINC000060278629 184145792 /nfs/dbraw/zinc/14/57/92/184145792.db2.gz YECHIRFBMXFQLS-UHFFFAOYSA-N 0 0 307.378 4.306 50 0 DIAARN CCN(C(=O)c1ccc(N(CC)C(C)C)cc1)[C@@H](C)C(C)C ZINC000060302654 184145868 /nfs/dbraw/zinc/14/58/68/184145868.db2.gz ZBSOQOAWTZPMBY-INIZCTEOSA-N 0 0 304.478 4.428 50 0 DIAARN CSc1nnc(CN(CC2CC2)[C@@H](C)c2ccccc2)s1 ZINC000060339121 184146032 /nfs/dbraw/zinc/14/60/32/184146032.db2.gz YSOXRWRWNUOWAW-LBPRGKRZSA-N 0 0 319.499 4.233 50 0 DIAARN CC(C)c1nnc(CN(C)Cc2ccccc2-c2ccccc2)o1 ZINC000060372828 184147526 /nfs/dbraw/zinc/14/75/26/184147526.db2.gz WBUDUYVPPZLCKH-UHFFFAOYSA-N 0 0 321.424 4.492 50 0 DIAARN CCN(Cc1nc2ccccc2o1)Cc1c(F)cccc1F ZINC000059409793 184138710 /nfs/dbraw/zinc/13/87/10/184138710.db2.gz MQORJMIESMKPRA-UHFFFAOYSA-N 0 0 302.324 4.128 50 0 DIAARN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000060015241 184143459 /nfs/dbraw/zinc/14/34/59/184143459.db2.gz UZOMEJPNERMIJM-LLVKDONJSA-N 0 0 320.795 4.036 50 0 DIAARN Fc1ccc(-c2c[nH]c(SCc3cn4ccccc4n3)n2)cc1 ZINC000061142981 184163213 /nfs/dbraw/zinc/16/32/13/184163213.db2.gz HOSWJIZICLTRLM-UHFFFAOYSA-N 0 0 324.384 4.156 50 0 DIAARN Cc1nc(C(C)(C)C)sc1C(=O)NC(C)(C)c1ccccc1 ZINC000061198749 184165220 /nfs/dbraw/zinc/16/52/20/184165220.db2.gz WLCVJUURFVOKMR-UHFFFAOYSA-N 0 0 316.470 4.414 50 0 DIAARN CNc1nc2c(s1)[C@@H](c1ccc(SC)cc1)CC(=O)N2 ZINC000061720739 184185469 /nfs/dbraw/zinc/18/54/69/184185469.db2.gz GRPGJAKZOFQFNQ-SNVBAGLBSA-N 0 0 305.428 4.030 50 0 DIAARN Cc1cccc2c1ccn2CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000062001425 184200487 /nfs/dbraw/zinc/20/04/87/184200487.db2.gz IGSMFTBZGSNONX-UHFFFAOYSA-N 0 0 303.365 4.070 50 0 biogenic DIAARN CN(Cc1ccccn1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000062246002 184225113 /nfs/dbraw/zinc/22/51/13/184225113.db2.gz YLEDCWDXGCLZTI-UHFFFAOYSA-N 0 0 323.368 4.060 50 0 DIAARN O=C(CCc1ccccn1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063981215 184291413 /nfs/dbraw/zinc/29/14/13/184291413.db2.gz WDXTUMUHZFGNGH-UHFFFAOYSA-N 0 0 323.421 4.140 50 0 DIAARN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000064033699 184291929 /nfs/dbraw/zinc/29/19/29/184291929.db2.gz KECPRZHCNCDSET-SECBINFHSA-N 0 0 300.196 4.035 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(CC)cc2)on1 ZINC000064984995 184307589 /nfs/dbraw/zinc/30/75/89/184307589.db2.gz XDWVJJFYWDFEQH-INIZCTEOSA-N 0 0 313.401 4.168 50 0 DIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccc(C)cc3)nc2)cc1 ZINC000065030108 184308783 /nfs/dbraw/zinc/30/87/83/184308783.db2.gz TVTJGQGKPLLHEE-UHFFFAOYSA-N 0 0 316.404 4.295 50 0 DIAARN COC(=O)c1cc(Nc2ccccc2F)c2cccc(F)c2n1 ZINC000065033685 184308806 /nfs/dbraw/zinc/30/88/06/184308806.db2.gz AVEDPPFJPUYXGQ-UHFFFAOYSA-N 0 0 314.291 4.043 50 0 DIAARN Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1 ZINC000065030085 184308979 /nfs/dbraw/zinc/30/89/79/184308979.db2.gz VLWQIZWZIHMNJN-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN O=C(Nc1cccc(F)c1)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030120 184308991 /nfs/dbraw/zinc/30/89/91/184308991.db2.gz LUJSZKUEARPVQT-UHFFFAOYSA-N 0 0 310.303 4.279 50 0 DIAARN Cc1cccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c1 ZINC000065030084 184309032 /nfs/dbraw/zinc/30/90/32/184309032.db2.gz QCSPEIOSXQXENI-UHFFFAOYSA-N 0 0 320.367 4.126 50 0 DIAARN COC(=O)c1cc(OCc2ccc(C)cc2C)c2ccccc2n1 ZINC000065033054 184309078 /nfs/dbraw/zinc/30/90/78/184309078.db2.gz AHIKNNWGGOLWJR-UHFFFAOYSA-N 0 0 321.376 4.217 50 0 DIAARN COC(=O)c1cc(Nc2ccccc2C)c2cccc(OC)c2n1 ZINC000065033634 184309096 /nfs/dbraw/zinc/30/90/96/184309096.db2.gz JNVNHYXZFARDFK-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN COc1ccc(-c2nc(-c3ccc4oc(C)nc4c3)no2)c(C)c1 ZINC000065149658 184311533 /nfs/dbraw/zinc/31/15/33/184311533.db2.gz PBIUIDBBMNYXAC-UHFFFAOYSA-N 0 0 321.336 4.170 50 0 DIAARN CCCn1cc2c3c1cccc3CN(C(=O)c1ccsc1)CC2 ZINC000065148641 184311644 /nfs/dbraw/zinc/31/16/44/184311644.db2.gz GNVGTABGXYAOGB-UHFFFAOYSA-N 0 0 324.449 4.311 50 0 DIAARN Cc1ccc(-c2ncccc2CNC(=O)c2ccccc2C)cc1 ZINC000065171359 184313714 /nfs/dbraw/zinc/31/37/14/184313714.db2.gz IDSFCSZOQAHJFX-UHFFFAOYSA-N 0 0 316.404 4.295 50 0 DIAARN Cc1nc(-c2cccc(-c3noc(-c4ccoc4)n3)c2)cs1 ZINC000064676995 184302301 /nfs/dbraw/zinc/30/23/01/184302301.db2.gz RUYFWVAZEYKSAT-UHFFFAOYSA-N 0 0 309.350 4.429 50 0 DIAARN Cc1nc(-c2cccc(-c3noc(-c4ccncc4)n3)c2)cs1 ZINC000064677001 184302356 /nfs/dbraw/zinc/30/23/56/184302356.db2.gz AXVVOXMNECHASS-UHFFFAOYSA-N 0 0 320.377 4.231 50 0 DIAARN O=C(C1CCCCC1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678012 184302639 /nfs/dbraw/zinc/30/26/39/184302639.db2.gz AKAXCPZNZONDNG-UHFFFAOYSA-N 0 0 315.457 4.274 50 0 DIAARN C/C(=C\c1ccccc1)[C@@H]1CC(=O)Nc2c1c(C(C)(C)C)nn2C ZINC000065385355 184333336 /nfs/dbraw/zinc/33/33/36/184333336.db2.gz TZUJWJWPFXKRPW-FQNOHDAGSA-N 0 0 323.440 4.247 50 0 DIAARN CC(C)n1cc2cc(C(=O)NCc3cccc(F)c3)sc2c1 ZINC000065285449 184321043 /nfs/dbraw/zinc/32/10/43/184321043.db2.gz LYUOOVQTUJBUKV-UHFFFAOYSA-N 0 0 316.401 4.353 50 0 DIAARN Clc1ccc([C@H]2CC2(Br)Br)cc1 ZINC000065337345 184325109 /nfs/dbraw/zinc/32/51/09/184325109.db2.gz DGGDUBFXMIZUKU-MRVPVSSYSA-N 0 0 310.416 4.313 50 0 DIAARN O=c1c2ccc[nH]c-2cn1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000065382994 184332344 /nfs/dbraw/zinc/33/23/44/184332344.db2.gz CSEYSPGTSCVZDW-FQEVSTJZSA-N 0 0 314.388 4.021 50 0 DIAARN C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000065417775 184341442 /nfs/dbraw/zinc/34/14/42/184341442.db2.gz HQESSHDWBRXGFW-PABFRNLHSA-N 0 0 319.364 4.199 50 0 DIAARN O=C(c1cc(-c2csc(C3CCCC3)n2)c[nH]1)N1CCCC1 ZINC000065466412 184350289 /nfs/dbraw/zinc/35/02/89/184350289.db2.gz BDOMLCAUZKBCPX-UHFFFAOYSA-N 0 0 315.442 4.032 50 0 DIAARN CN(Cc1cccnc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000065476188 184351731 /nfs/dbraw/zinc/35/17/31/184351731.db2.gz RVEDBDOWKKPHCQ-UHFFFAOYSA-N 0 0 310.184 4.052 50 0 DIAARN CC(C)c1nn(-c2ccccc2)c2c1[C@@H](c1ccoc1)CC(=O)N2 ZINC000065396178 184335340 /nfs/dbraw/zinc/33/53/40/184335340.db2.gz NIMNNFAXOWQWLI-OAHLLOKOSA-N 0 0 321.380 4.063 50 0 DIAARN CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 ZINC000065402435 184337449 /nfs/dbraw/zinc/33/74/49/184337449.db2.gz LFSPLXNCNXHOHZ-UHFFFAOYSA-N 0 0 300.836 4.053 50 0 DIAARN OCCCn1cnc(-c2ccccc2)c1-c1ccc(Cl)s1 ZINC000065404520 184337714 /nfs/dbraw/zinc/33/77/14/184337714.db2.gz WILAMORSJAELFJ-UHFFFAOYSA-N 0 0 318.829 4.314 50 0 DIAARN CCc1nc(C)c(C(=O)N(Cc2ccc(C)cc2)[C@H](C)CC)o1 ZINC000065526685 184359866 /nfs/dbraw/zinc/35/98/66/184359866.db2.gz HPOCNJKVSHGMLJ-CQSZACIVSA-N 0 0 314.429 4.295 50 0 DIAARN Nc1nc(Sc2nc3ccccc3s2)nc2sccc21 ZINC000065537200 184362413 /nfs/dbraw/zinc/36/24/13/184362413.db2.gz SCAKFOBZMYNNAR-UHFFFAOYSA-N 0 0 316.436 4.034 50 0 DIAARN COc1nc(C(=O)N(C2CC2)C2CCCCC2)cc2ccccc21 ZINC000065552492 184364796 /nfs/dbraw/zinc/36/47/96/184364796.db2.gz OAXYCCDPEDLCMP-UHFFFAOYSA-N 0 0 324.424 4.181 50 0 DIAARN CN(Cc1cc(F)cc2c1OCOC2)c1cccc2ccccc21 ZINC000065590471 184369755 /nfs/dbraw/zinc/36/97/55/184369755.db2.gz OFTAXYJQHXILCX-UHFFFAOYSA-N 0 0 323.367 4.482 50 0 DIAARN CC[C@@H](Nc1cc(C)c2ccc(Cl)cc2n1)c1nc(C)no1 ZINC000065504430 184356318 /nfs/dbraw/zinc/35/63/18/184356318.db2.gz AXXSUQUKNNMRMM-CYBMUJFWSA-N 0 0 316.792 4.451 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000066089054 184388068 /nfs/dbraw/zinc/38/80/68/184388068.db2.gz CMQMZLBQKCNTCJ-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN Cn1c(-c2nnc(-c3ccco3)o2)ccc1-c1ccc(F)cc1 ZINC000067299914 184459397 /nfs/dbraw/zinc/45/93/97/184459397.db2.gz DDAXPIISTYTSFC-UHFFFAOYSA-N 0 0 309.300 4.141 50 0 DIAARN CCc1nc(CN(C)Cc2ncc(-c3cccs3)o2)cs1 ZINC000067378283 184463184 /nfs/dbraw/zinc/46/31/84/184463184.db2.gz WVTIGGUMQCOANB-UHFFFAOYSA-N 0 0 319.455 4.054 50 0 DIAARN CCOCc1ccccc1NC(=O)N[C@@H](C)c1cc(C)oc1C ZINC000067678872 184479054 /nfs/dbraw/zinc/47/90/54/184479054.db2.gz OBAZXXNGJFNPAC-ZDUSSCGKSA-N 0 0 316.401 4.316 50 0 DIAARN CC(C)(C)c1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)no1 ZINC000069539219 184524701 /nfs/dbraw/zinc/52/47/01/184524701.db2.gz OBZGIDUDPQDQJX-UWVGGRQHSA-N 0 0 318.339 4.279 50 0 DIAARN Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1ccncc1 ZINC000069490569 184519535 /nfs/dbraw/zinc/51/95/35/184519535.db2.gz HPOOHWUOMYYFFY-GFCCVEGCSA-N 0 0 323.421 4.005 50 0 DIAARN CCc1noc(C)c1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000120234763 195123906 /nfs/dbraw/zinc/12/39/06/195123906.db2.gz UJKBYWLGOMYCER-SMDDNHRTSA-N 0 0 317.389 4.144 50 0 DIAARN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(Cl)o1 ZINC000158465440 197274848 /nfs/dbraw/zinc/27/48/48/197274848.db2.gz DOHQFXXDMRAQEJ-UHFFFAOYSA-N 0 0 322.151 4.024 50 0 DIAARN Cc1cccc2c1N(Cc1cnc(-c3cccnc3)s1)CC2 ZINC000153389868 196875240 /nfs/dbraw/zinc/87/52/40/196875240.db2.gz ONNAVQMSPDEIDJ-UHFFFAOYSA-N 0 0 307.422 4.076 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000008314066 256522938 /nfs/dbraw/zinc/52/29/38/256522938.db2.gz JAERXEUJCFJKDC-UHFFFAOYSA-N 0 0 322.408 4.096 50 0 DIAARN Cc1ccc(S[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000031851963 256531838 /nfs/dbraw/zinc/53/18/38/256531838.db2.gz XXLVZEIQBCNJFQ-OAHLLOKOSA-N 0 0 311.450 4.061 50 0 DIAARN CC(=O)N(Cc1cccc2[nH]ccc21)Cc1cccc2[nH]ccc21 ZINC000030822853 256531857 /nfs/dbraw/zinc/53/18/57/256531857.db2.gz OPHRHYREINTNTM-UHFFFAOYSA-N 0 0 317.392 4.198 50 0 DIAARN Cc1ccc(/C=C/c2nc(-c3ccc4oc(C)nc4c3)no2)o1 ZINC000065149668 256541968 /nfs/dbraw/zinc/54/19/68/256541968.db2.gz IHCOQCQGGJSXDS-SOFGYWHQSA-N 0 0 307.309 4.258 50 0 DIAARN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1 ZINC000065152737 256542134 /nfs/dbraw/zinc/54/21/34/256542134.db2.gz SBPXLCHCGXUADI-UHFFFAOYSA-N 0 0 321.380 4.286 50 0 DIAARN Cc1csc([C@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)n1 ZINC000075969983 256547120 /nfs/dbraw/zinc/54/71/20/256547120.db2.gz NGFZVSAFKVUUQM-MNOVXSKESA-N 0 0 323.487 4.251 50 0 DIAARN C[C@@H]1C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@H]4[C@@H]3CC[C@H]2CC1=O ZINC000253530040 256616542 /nfs/dbraw/zinc/61/65/42/256616542.db2.gz IKXILDNPCZPPRV-MFOGLPANSA-N 0 0 304.474 4.205 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 ZINC000253498769 256616716 /nfs/dbraw/zinc/61/67/16/256616716.db2.gz SPPQPIJYSMWOGE-QGVNFLHTSA-N 0 0 316.485 4.469 50 0 biogenic DIAARN COc1ccc(-c2ccccc2-c2nnc(C)o2)c2cccnc12 ZINC000426574718 257245753 /nfs/dbraw/zinc/24/57/53/257245753.db2.gz LDUGCSSCJNXBSE-UHFFFAOYSA-N 0 0 317.348 4.269 50 0 DIAARN CC(C)Oc1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1 ZINC000426589066 257246105 /nfs/dbraw/zinc/24/61/05/257246105.db2.gz PQZPBNQKQICNNO-UHFFFAOYSA-N 0 0 312.413 4.095 50 0 DIAARN CC1(C)CN(C(=O)c2cccn2C2CC2)C[C@H]1c1ccccc1 ZINC000426526070 257247573 /nfs/dbraw/zinc/24/75/73/257247573.db2.gz KFSHSWDRTLZJEW-KRWDZBQOSA-N 0 0 308.425 4.089 50 0 DIAARN O=C(c1cccnc1/C=C/C1CCCCC1)N1C[C@H]2CC[C@@H]1C2 ZINC000426517708 257247604 /nfs/dbraw/zinc/24/76/04/257247604.db2.gz YPBJCIRYIKJLCJ-DMFQBTPQSA-N 0 0 310.441 4.300 50 0 DIAARN O=C(NCC1CCC1)c1ccc(-c2cc(Cl)ccc2O)cc1 ZINC000426428298 257250459 /nfs/dbraw/zinc/25/04/59/257250459.db2.gz SJWBMTIKAPOLBZ-UHFFFAOYSA-N 0 0 315.800 4.243 50 0 DIAARN CC(C)N(C(=O)c1ccccc1-c1ccc2c[nH]nc2c1)C(C)C ZINC000426420308 257250751 /nfs/dbraw/zinc/25/07/51/257250751.db2.gz YKIZGYXDSXVPAW-UHFFFAOYSA-N 0 0 321.424 4.489 50 0 DIAARN Cc1cc(-c2c(N3CCCC3)cn[nH]c2=O)cc(C(C)(C)C)c1 ZINC000426399112 257251183 /nfs/dbraw/zinc/25/11/83/257251183.db2.gz YFEQTGICZGIEQE-UHFFFAOYSA-N 0 0 311.429 4.055 50 0 DIAARN Cc1nc(C)c(-c2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC000426419963 257251843 /nfs/dbraw/zinc/25/18/43/257251843.db2.gz IUHVOOBORQQWNN-UHFFFAOYSA-N 0 0 300.427 4.099 50 0 DIAARN Cc1ccc2oc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)cc2c1 ZINC000426412193 257251924 /nfs/dbraw/zinc/25/19/24/257251924.db2.gz GTJGBVFXPMEEKE-QGZVFWFLSA-N 0 0 321.376 4.035 50 0 DIAARN CCC(=O)c1cccc(-c2ccc([C@H](C)N3CCOCC3)cc2)c1 ZINC000426383112 257252100 /nfs/dbraw/zinc/25/21/00/257252100.db2.gz JFHOMXQMGWGVQE-INIZCTEOSA-N 0 0 323.436 4.340 50 0 DIAARN C[C@@H](Cc1nc(C2(Cl)CC2)cs1)n1cc(Cl)cn1 ZINC000408524138 257254358 /nfs/dbraw/zinc/25/43/58/257254358.db2.gz QMLOESXGYQXZTN-QMMMGPOBSA-N 0 0 302.230 4.025 50 0 DIAARN Cc1nc(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)c(C)o1 ZINC000408521746 257254890 /nfs/dbraw/zinc/25/48/90/257254890.db2.gz SLWKXCUSKGLCSK-IRXDYDNUSA-N 0 0 312.413 4.090 50 0 DIAARN Cc1cc(C(=O)Nc2ccc(F)cc2Cl)nn1[C@@H](C)C1CC1 ZINC000408513813 257256449 /nfs/dbraw/zinc/25/64/49/257256449.db2.gz LMKFHUGWLZBJTN-JTQLQIEISA-N 0 0 321.783 4.207 50 0 DIAARN Cc1nn(C)c2ncc(/C=C(/Cl)c3nc4ccccc4o3)cc12 ZINC000255830634 257257810 /nfs/dbraw/zinc/25/78/10/257257810.db2.gz CDIMQJBQNJPHBM-MDWZMJQESA-N 0 0 324.771 4.155 50 0 DIAARN CC[C@@H]1CCCCCN1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000239475352 257259740 /nfs/dbraw/zinc/25/97/40/257259740.db2.gz ANPREKXQZULBIR-BRWVUGGUSA-N 0 0 324.509 4.192 50 0 DIAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 ZINC000240534563 257259743 /nfs/dbraw/zinc/25/97/43/257259743.db2.gz GOOFIQYVTAQVSG-VHSSKADRSA-N 0 0 309.409 4.139 50 0 DIAARN S=C(NCc1ccccc1Cl)Nc1ccc(Cl)cc1 ZINC000000129588 257266442 /nfs/dbraw/zinc/26/64/42/257266442.db2.gz CXZKKTHBTYVZMJ-UHFFFAOYSA-N 0 0 311.237 4.480 50 0 DIAARN O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1 ZINC000000388055 257266567 /nfs/dbraw/zinc/26/65/67/257266567.db2.gz DWNAQMUDCDVSLT-UHFFFAOYSA-N 0 0 318.328 4.125 50 0 in-vitro DIAARN Nc1c(-c2ccc(Cl)cc2)cnc2cc(-c3ccccc3)nn21 ZINC000000466655 257266846 /nfs/dbraw/zinc/26/68/46/257266846.db2.gz XLLGEUVEJDQFIU-UHFFFAOYSA-N 0 0 320.783 4.299 50 0 DIAARN COc1ccc2c(CC(=O)N[C@@H](C)CCCC(C)C)coc2c1 ZINC000003528505 257267470 /nfs/dbraw/zinc/26/74/70/257267470.db2.gz UHXZLAJQUSNDQM-AWEZNQCLSA-N 0 0 317.429 4.315 50 0 DIAARN O=Cc1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003676293 257267504 /nfs/dbraw/zinc/26/75/04/257267504.db2.gz ZGQDXPOEOSDGPQ-UHFFFAOYSA-N 0 0 307.193 4.327 50 0 DIAARN CCc1cccc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000016431354 257268603 /nfs/dbraw/zinc/26/86/03/257268603.db2.gz SMWWJQKTEDFHLR-CQSZACIVSA-N 0 0 314.404 4.020 50 0 DIAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 ZINC000071282251 257270332 /nfs/dbraw/zinc/27/03/32/257270332.db2.gz ZEUGAFVXIXMRAM-CQSZACIVSA-N 0 0 321.380 4.198 50 0 DIAARN Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCCCC1 ZINC000071326676 257270338 /nfs/dbraw/zinc/27/03/38/257270338.db2.gz MYPRFAZFVDOTAG-UHFFFAOYSA-N 0 0 321.490 4.259 50 0 DIAARN Cc1nc(COc2ccc(Oc3nccs3)cc2)oc1C ZINC000075104966 257271230 /nfs/dbraw/zinc/27/12/30/257271230.db2.gz VWLFMKYUTDYHRL-UHFFFAOYSA-N 0 0 302.355 4.119 50 0 DIAARN Cc1csc([C@H](C)NC(=O)Nc2cccc(C(F)F)c2)n1 ZINC000069680775 184836284 /nfs/dbraw/zinc/83/62/84/184836284.db2.gz JDQUFUPYBYEZEJ-VIFPVBQESA-N 0 0 311.357 4.272 50 0 DIAARN Clc1ccccc1NCc1nnc(-c2ccccc2)s1 ZINC000120985589 195276041 /nfs/dbraw/zinc/27/60/41/195276041.db2.gz KHMHXTJNJDDZIC-UHFFFAOYSA-N 0 0 301.802 4.471 50 0 DIAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(O)cc1 ZINC000000087103 134427611 /nfs/dbraw/zinc/42/76/11/134427611.db2.gz UOEPPEWHDGFYEQ-IBGZPJMESA-N 0 0 316.360 4.163 50 0 DIAARN CC[C@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C ZINC000000501211 134438741 /nfs/dbraw/zinc/43/87/41/134438741.db2.gz MUVVNQHRUQTFFH-YVEFUNNKSA-N 0 0 324.852 4.258 50 0 DIAARN Cc1cc(Cl)ccc1OCC(=O)N1CCCc2ccccc21 ZINC000000492008 134439046 /nfs/dbraw/zinc/43/90/46/134439046.db2.gz IQESLUQPOJSMDJ-UHFFFAOYSA-N 0 0 315.800 4.007 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCSc2ccccc21 ZINC000009503100 134441852 /nfs/dbraw/zinc/44/18/52/134441852.db2.gz HEDVYYUAYLEWMG-UHFFFAOYSA-N 0 0 323.339 4.458 50 0 DIAARN CCCCOc1ccc(N2C(C)=CC(C)(C)NC2=S)cc1 ZINC000005792908 134472747 /nfs/dbraw/zinc/47/27/47/134472747.db2.gz XPTWEUZPMOLWDG-UHFFFAOYSA-N 0 0 304.459 4.242 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(C)c(C)c1)C[C@@H](C)O2 ZINC000006842713 134479407 /nfs/dbraw/zinc/47/94/07/134479407.db2.gz KDZYTTMGJLGUKM-OAHLLOKOSA-N 0 0 310.397 4.431 50 0 DIAARN Cc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)c(C)c1 ZINC000006842973 134479520 /nfs/dbraw/zinc/47/95/20/134479520.db2.gz YTLPGYUMYLLCMD-UHFFFAOYSA-N 0 0 316.788 4.388 50 0 DIAARN O=C(CNc1cccc2ccccc21)N1CCCc2ccccc21 ZINC000006867352 134480235 /nfs/dbraw/zinc/48/02/35/134480235.db2.gz GOTTUJICJCTLPH-UHFFFAOYSA-N 0 0 316.404 4.231 50 0 DIAARN O=C(Nc1cc(F)ccc1F)N1CCSc2ccccc21 ZINC000006876874 134480285 /nfs/dbraw/zinc/48/02/85/134480285.db2.gz WAVGQQVASUOOKW-UHFFFAOYSA-N 0 0 306.337 4.109 50 0 DIAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21 ZINC000007115056 134482370 /nfs/dbraw/zinc/48/23/70/134482370.db2.gz NHNAJNSQGUVKAB-CQSZACIVSA-N 0 0 304.393 4.192 50 0 DIAARN Cc1ccc(N2CN(CCC3=CCCCC3)CNC2=S)cc1 ZINC000013636069 134514181 /nfs/dbraw/zinc/51/41/81/134514181.db2.gz AIARMSZYEHULPA-UHFFFAOYSA-N 0 0 315.486 4.208 50 0 DIAARN FC(F)(F)c1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1 ZINC000024527534 134660340 /nfs/dbraw/zinc/66/03/40/134660340.db2.gz CNBBZSWXJFDZAO-UHFFFAOYSA-N 0 0 317.314 4.144 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCc2ccc(F)cc21 ZINC000040117128 134710014 /nfs/dbraw/zinc/71/00/14/134710014.db2.gz JKRIDCSJFNLCDF-UHFFFAOYSA-N 0 0 323.289 4.438 50 0 DIAARN Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C)sc1C ZINC000128987497 196009465 /nfs/dbraw/zinc/00/94/65/196009465.db2.gz WDKGXQKJSGBCOB-UHFFFAOYSA-N 0 0 311.410 4.111 50 0 DIAARN CCC(=O)c1cccc(NCc2nnc(-c3ccccc3C)o2)c1 ZINC000135711109 196500755 /nfs/dbraw/zinc/50/07/55/196500755.db2.gz OPFTUQMZRIJCHB-UHFFFAOYSA-N 0 0 321.380 4.250 50 0 DIAARN Cc1ccc(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)n1C(F)F ZINC000299802750 229463015 /nfs/dbraw/zinc/46/30/15/229463015.db2.gz ONMXWJVDWBVVJY-NSHDSACASA-N 0 0 322.330 4.090 50 0 DIAARN Cc1ccc([C@H](C)CCCS(=O)(=O)C(C)(C)Cl)cc1 ZINC000045070911 262518511 /nfs/dbraw/zinc/51/85/11/262518511.db2.gz DXEFSJHKSWSNHV-CYBMUJFWSA-N 0 0 302.867 4.268 50 0 DIAARN Cc1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000000081190 262528025 /nfs/dbraw/zinc/52/80/25/262528025.db2.gz BCLQCVPQIZVPOA-UHFFFAOYSA-N 0 0 322.389 4.328 50 0 DIAARN COc1cc(Cl)ccc1NC(=O)Nc1cc(F)ccc1F ZINC000000401966 262528890 /nfs/dbraw/zinc/52/88/90/262528890.db2.gz MMDUGALBPNVRBS-UHFFFAOYSA-N 0 0 312.703 4.271 50 0 DIAARN Cc1ccc([C@@H](CC(=O)Nc2nccs2)c2ccco2)cc1 ZINC000000509437 262530451 /nfs/dbraw/zinc/53/04/51/262530451.db2.gz JOISWSVPICNUFD-CQSZACIVSA-N 0 0 312.394 4.205 50 0 DIAARN O=C(Nc1ncc(Cc2cccc3ccccc32)s1)C1CC1 ZINC000005000423 262534692 /nfs/dbraw/zinc/53/46/92/262534692.db2.gz BUIGPUZZBYPXHV-UHFFFAOYSA-N 0 0 308.406 4.236 50 0 DIAARN Cc1cc(Br)ccc1NC(=O)c1ccccc1C ZINC000000060045 331458906 /nfs/dbraw/zinc/45/89/06/331458906.db2.gz OUOSRUGOZHYIKG-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000000399897 331462056 /nfs/dbraw/zinc/46/20/56/331462056.db2.gz WVBKNVZQHTZPQT-UHFFFAOYSA-N 0 0 320.776 4.310 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000000401487 331462157 /nfs/dbraw/zinc/46/21/57/331462157.db2.gz MPAXTLBBQRGUNC-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000000509011 331463399 /nfs/dbraw/zinc/46/33/99/331463399.db2.gz KRYFKLVCLHBANA-INIZCTEOSA-N 0 0 311.425 4.375 50 0 DIAARN Nc1nnc(SCc2cccc(Oc3ccccc3)c2)s1 ZINC000000509264 331463402 /nfs/dbraw/zinc/46/34/02/331463402.db2.gz KETFZDAKOTZWFB-UHFFFAOYSA-N 0 0 315.423 4.205 50 0 DIAARN CCCCOCCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002172534 331469391 /nfs/dbraw/zinc/46/93/91/331469391.db2.gz UFNOSBXHHXBUFD-UHFFFAOYSA-N 0 0 318.339 4.034 50 0 DIAARN CCCCCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002312322 331469632 /nfs/dbraw/zinc/46/96/32/331469632.db2.gz ORZQJEOKYVQHLK-UHFFFAOYSA-N 0 0 306.793 4.223 50 0 DIAARN Cc1ccc2c(COC(=O)c3ccc(C)c(C)c3)cc(=O)oc2c1 ZINC000003513953 331481059 /nfs/dbraw/zinc/48/10/59/331481059.db2.gz AIRNUSZQMYYBRN-UHFFFAOYSA-N 0 0 322.360 4.075 50 0 DIAARN C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(F)cc1F ZINC000006571800 331497234 /nfs/dbraw/zinc/49/72/34/331497234.db2.gz YGSRWYGKDMJXSK-SNVBAGLBSA-N 0 0 304.365 4.113 50 0 DIAARN C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(Cl)c1 ZINC000006850760 331499208 /nfs/dbraw/zinc/49/92/08/331499208.db2.gz SAZGHHPRVRKUMM-ZDUSSCGKSA-N 0 0 302.805 4.483 50 0 DIAARN CCCc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000007053359 331500831 /nfs/dbraw/zinc/50/08/31/331500831.db2.gz YPXNNMYQIHLKAB-UHFFFAOYSA-N 0 0 317.454 4.365 50 0 DIAARN COC[C@@H](C)Nc1nc(-c2cc(C)n(C(C)C)c2C)cs1 ZINC000014120214 331547916 /nfs/dbraw/zinc/54/79/16/331547916.db2.gz QNOMJIABDUXNGQ-LLVKDONJSA-N 0 0 307.463 4.256 50 0 DIAARN C[C@H]1CCN(C(=O)NC2CCCCC2)c2ccccc2S1 ZINC000014122764 331548397 /nfs/dbraw/zinc/54/83/97/331548397.db2.gz TZOXGXRUXIIGQJ-ZDUSSCGKSA-N 0 0 304.459 4.420 50 0 DIAARN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000020538238 331588323 /nfs/dbraw/zinc/58/83/23/331588323.db2.gz FLWFDBTXIPQBDE-GFCCVEGCSA-N 0 0 302.349 4.107 50 0 DIAARN O=C(NCc1cccc(COc2ccccc2)c1)C1CCCCC1 ZINC000040157000 331681035 /nfs/dbraw/zinc/68/10/35/331681035.db2.gz FMFOFFWOWXNPEJ-UHFFFAOYSA-N 0 0 323.436 4.462 50 0 DIAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1cscn1 ZINC000050310746 331749614 /nfs/dbraw/zinc/74/96/14/331749614.db2.gz SPUHFEVLIWRRBW-GUOLPTJISA-N 0 0 312.394 4.122 50 0 DIAARN CC(C)(C)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000096742781 332188625 /nfs/dbraw/zinc/18/86/25/332188625.db2.gz HUGBZGCBMWZAGO-YPKPFQOOSA-N 0 0 315.438 4.397 50 0 DIAARN CN(c1ccc2ccccc2c1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096742801 332188842 /nfs/dbraw/zinc/18/88/42/332188842.db2.gz WWXYQKMYQSEYPS-YPKPFQOOSA-N 0 0 323.417 4.277 50 0 DIAARN CC[C@](C)(NC(=O)c1ccc(C2CCC2)cc1)c1nccs1 ZINC000187956031 333154672 /nfs/dbraw/zinc/15/46/72/333154672.db2.gz UARFSULCZRBFHY-SFHVURJKSA-N 0 0 314.454 4.466 50 0 DIAARN O=C(NCCC[C@H]1CCCCO1)c1cccc(Cl)c1Cl ZINC000186683728 333376688 /nfs/dbraw/zinc/37/66/88/333376688.db2.gz IYDIHQIDLGWXMS-LLVKDONJSA-N 0 0 316.228 4.073 50 0 DIAARN COC(=O)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1 ZINC000328578974 533713731 /nfs/dbraw/zinc/71/37/31/533713731.db2.gz CURITGCRDBAEIJ-UHFFFAOYSA-N 0 0 307.324 4.341 50 0 DIAARN Cc1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nc(C)c1C(=O)[O-] ZINC000534644103 334306332 /nfs/dbraw/zinc/30/63/32/334306332.db2.gz NTBRVNUYAKDGLC-HNNXBMFYSA-N 0 0 324.424 4.220 50 0 DIAARN C[C@H](NC(=O)c1cccc(-c2ccc(O)cn2)c1)C1=CCCCC1 ZINC000534633553 334308427 /nfs/dbraw/zinc/30/84/27/334308427.db2.gz FZHLMVOGMOYCIY-AWEZNQCLSA-N 0 0 322.408 4.073 50 0 DIAARN CC[C@@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1 ZINC000029280074 336088303 /nfs/dbraw/zinc/08/83/03/336088303.db2.gz DUGYSSUKMGOBSX-QGZVFWFLSA-N 0 0 305.381 4.209 50 0 DIAARN CC(C)c1ccc(C(=O)N2CCC=C(c3ccco3)C2)c(O)c1 ZINC000332377412 336170371 /nfs/dbraw/zinc/17/03/71/336170371.db2.gz XZJRITRBXIXXHZ-UHFFFAOYSA-N 0 0 311.381 4.038 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)Oc1ccc2c(c1)CCC2 ZINC000000401893 336220223 /nfs/dbraw/zinc/22/02/23/336220223.db2.gz IYCGNYFFNJSVBP-UHFFFAOYSA-N 0 0 317.772 4.448 50 0 DIAARN CC(C)=C1CC[C@@](C)(COC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000216506067 336224881 /nfs/dbraw/zinc/22/48/81/336224881.db2.gz IUYXPHCGNUPIQJ-CWFSZBLJSA-N 0 0 318.457 4.452 50 0 DIAARN Cc1ccc(NCc2ncccn2)cc1OCC1CCCCC1 ZINC000190379693 336263774 /nfs/dbraw/zinc/26/37/74/336263774.db2.gz KUUKQLFSVVVGLB-UHFFFAOYSA-N 0 0 311.429 4.356 50 0 DIAARN Fc1ccc([C@@H](NCc2cccnc2)C(F)(F)F)cc1Cl ZINC000390835649 336947320 /nfs/dbraw/zinc/94/73/20/336947320.db2.gz UAGJLTGWVAKIAW-CYBMUJFWSA-N 0 0 318.701 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C[C@H]1CCc2c(sc3nc(-c4cccs4)oc(=O)c23)C1 ZINC000000097785 563216318 /nfs/dbraw/zinc/21/63/18/563216318.db2.gz CEVZTCMAFAXKPS-QMMMGPOBSA-N 0 0 303.408 4.103 50 0 DIAARN Cc1ccc2nsnc2c1NC(=O)c1cccc2ccccc21 ZINC000000097642 563216506 /nfs/dbraw/zinc/21/65/06/563216506.db2.gz YAUJXPKZMYGVSB-UHFFFAOYSA-N 0 0 319.389 4.405 50 0 DIAARN Cc1ccc(NC(=O)c2ccccc2Br)cc1C ZINC000000101506 563217052 /nfs/dbraw/zinc/21/70/52/563217052.db2.gz IDLSRDSIECGYON-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3)ccc2c1 ZINC000000103460 563217627 /nfs/dbraw/zinc/21/76/27/563217627.db2.gz LCSGTBKEHQPHFM-HNNXBMFYSA-N 0 0 319.404 4.268 50 0 DIAARN Cc1c(C)n(C[C@@H](O)CNc2ccccc2C)c2ccccc12 ZINC000000106215 563217978 /nfs/dbraw/zinc/21/79/78/563217978.db2.gz IXHIKKBSKAKOPK-KRWDZBQOSA-N 0 0 308.425 4.040 50 0 DIAARN Clc1ccc(OCc2ccc(-c3csnn3)cc2)cc1 ZINC000000106200 563218010 /nfs/dbraw/zinc/21/80/10/563218010.db2.gz OZDIHBKYNBXUPK-UHFFFAOYSA-N 0 0 302.786 4.438 50 0 DIAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1-c1cccs1 ZINC000000106338 563218177 /nfs/dbraw/zinc/21/81/77/563218177.db2.gz WWXQQRNIONNVIS-UHFFFAOYSA-N 0 0 318.401 4.423 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Oc1ccc(C)cc1 ZINC000000109983 563218737 /nfs/dbraw/zinc/21/87/37/563218737.db2.gz HWVVEWNZEAKFSL-UHFFFAOYSA-N 0 0 306.365 4.017 50 0 DIAARN Cc1noc(C)c1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000000112229 563218786 /nfs/dbraw/zinc/21/87/86/563218786.db2.gz VHIOJYFCGKBGBI-UHFFFAOYSA-N 0 0 309.247 4.027 50 0 DIAARN Clc1ccc(I)c(Cl)c1Cl ZINC000000109866 563218867 /nfs/dbraw/zinc/21/88/67/563218867.db2.gz LZKJHOBHWRQKIL-UHFFFAOYSA-N 0 0 307.345 4.251 50 0 DIAARN Cc1ccccc1-c1nc(-c2ccc(Br)o2)no1 ZINC000000112056 563218877 /nfs/dbraw/zinc/21/88/77/563218877.db2.gz BSEYQWSYIXNDMN-UHFFFAOYSA-N 0 0 305.131 4.068 50 0 DIAARN CCOc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000000118537 563219839 /nfs/dbraw/zinc/21/98/39/563219839.db2.gz JOOGHWPVFBLZGH-UHFFFAOYSA-N 0 0 304.415 4.214 50 0 DIAARN C[C@@H]1CCCCN1C(=O)C1c2ccccc2Oc2ccccc21 ZINC000000117275 563220070 /nfs/dbraw/zinc/22/00/70/563220070.db2.gz HTLFQRUPHBECMP-CQSZACIVSA-N 0 0 307.393 4.325 50 0 DIAARN O=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000000117254 563220082 /nfs/dbraw/zinc/22/00/82/563220082.db2.gz QRYFFKRQUZOCFQ-UHFFFAOYSA-N 0 0 307.393 4.373 50 0 DIAARN O=C(COc1ccc(Cl)cc1)Oc1ccc2ccccc2c1 ZINC000000123692 563220433 /nfs/dbraw/zinc/22/04/33/563220433.db2.gz QMTFIYDRQYREAM-UHFFFAOYSA-N 0 0 312.752 4.478 50 0 DIAARN Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1 ZINC000000127426 563221233 /nfs/dbraw/zinc/22/12/33/563221233.db2.gz VUKMLSAEOJOBEU-NSHDSACASA-N 0 0 300.427 4.016 50 0 DIAARN C[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000000130347 563221674 /nfs/dbraw/zinc/22/16/74/563221674.db2.gz IURAJASMCSTTBV-SECBINFHSA-N 0 0 320.845 4.361 50 0 DIAARN CCc1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000131289 563221686 /nfs/dbraw/zinc/22/16/86/563221686.db2.gz KZFUDCWVWGXNEQ-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN COc1ccc(OCC(=O)Sc2ccc(Cl)cc2)cc1 ZINC000000132961 563222170 /nfs/dbraw/zinc/22/21/70/563222170.db2.gz RXTIHFDJASTOOR-UHFFFAOYSA-N 0 0 308.786 4.046 50 0 DIAARN CSc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000000139833 563222738 /nfs/dbraw/zinc/22/27/38/563222738.db2.gz YHGSNCXQTXOJGT-UHFFFAOYSA-N 0 0 312.188 4.016 50 0 DIAARN O=C(CSc1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000000138504 563222757 /nfs/dbraw/zinc/22/27/57/563222757.db2.gz GLKKKSSJQKPIDE-UHFFFAOYSA-N 0 0 313.756 4.349 50 0 DIAARN CC(=O)c1ccccc1OC(=O)c1c(Cl)cccc1Cl ZINC000000139917 563222998 /nfs/dbraw/zinc/22/29/98/563222998.db2.gz QXFLPCXOINADSH-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN Cc1cc(OCC(=O)Nc2cccc(F)c2)ccc1C(C)C ZINC000000142394 563223419 /nfs/dbraw/zinc/22/34/19/563223419.db2.gz IXRQNRNKPQJSRE-UHFFFAOYSA-N 0 0 301.361 4.275 50 0 DIAARN CCOc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000000145591 563223937 /nfs/dbraw/zinc/22/39/37/563223937.db2.gz NWENRPHKPFDWHK-UHFFFAOYSA-N 0 0 313.397 4.028 50 0 DIAARN CC(C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000144449 563223942 /nfs/dbraw/zinc/22/39/42/563223942.db2.gz AGHPCVJIJPLTIB-UHFFFAOYSA-N 0 0 319.788 4.145 50 0 DIAARN CC(C)=CC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000000149006 563224588 /nfs/dbraw/zinc/22/45/88/563224588.db2.gz FPGBWHIFWOBKJJ-UHFFFAOYSA-N 0 0 323.392 4.427 50 0 DIAARN Cn1nc(C2CC2)cc1NC(=O)Nc1csc2ccccc12 ZINC000000154197 563225081 /nfs/dbraw/zinc/22/50/81/563225081.db2.gz IYLAYFSWQOFNKA-UHFFFAOYSA-N 0 0 312.398 4.156 50 0 DIAARN COc1cccc(C=O)c1OCc1ccc(Cl)c(Cl)c1 ZINC000000151842 563225269 /nfs/dbraw/zinc/22/52/69/563225269.db2.gz KXZXFCUJBVPOGB-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN O=C(Nc1ccccc1F)Nc1ccccc1N1CCCCC1 ZINC000000155431 563225743 /nfs/dbraw/zinc/22/57/43/563225743.db2.gz RPPKURVOLUUZJI-UHFFFAOYSA-N 0 0 313.376 4.460 50 0 DIAARN Fc1cc(Br)c(-n2cccc2)c(Br)c1 ZINC000000167276 563226253 /nfs/dbraw/zinc/22/62/53/563226253.db2.gz UJSSQQHLMWAPNU-UHFFFAOYSA-N 0 0 318.971 4.141 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=O)c2cccc3c2-c2ccccc2C3=O)C1 ZINC000000171231 563226954 /nfs/dbraw/zinc/22/69/54/563226954.db2.gz XCBFQMOXSCFTNJ-KBPBESRZSA-N 0 0 319.404 4.016 50 0 biogenic DIAARN CCc1ccc2[nH]c(C(=O)N(C)c3ccc(F)cc3F)cc2c1 ZINC000000171601 563227418 /nfs/dbraw/zinc/22/74/18/563227418.db2.gz FEFWPRDPBYSKLH-UHFFFAOYSA-N 0 0 314.335 4.285 50 0 DIAARN O=C(SC1=NCCc2ccccc21)c1ccc(Cl)cc1 ZINC000000172361 563227560 /nfs/dbraw/zinc/22/75/60/563227560.db2.gz LYRZVNJQKQEBIQ-UHFFFAOYSA-N 0 0 301.798 4.216 50 0 DIAARN CC(C)(C)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000000178712 563228443 /nfs/dbraw/zinc/22/84/43/563228443.db2.gz WAEWFERLXSACJA-UHFFFAOYSA-N 0 0 317.458 4.385 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000183922 563229197 /nfs/dbraw/zinc/22/91/97/563229197.db2.gz QBNOCUZIMRCTOO-CYBMUJFWSA-N 0 0 311.381 4.224 50 0 DIAARN Cc1ccc2c(Cl)c(C(=O)NCc3ccco3)sc2c1 ZINC000000185992 563229203 /nfs/dbraw/zinc/22/92/03/563229203.db2.gz ABUNHWUDUNQLEV-UHFFFAOYSA-N 0 0 305.786 4.386 50 0 DIAARN Cc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1 ZINC000000199298 563229791 /nfs/dbraw/zinc/22/97/91/563229791.db2.gz SIBQEDIQAPAOSH-UHFFFAOYSA-N 0 0 300.358 4.476 50 0 DIAARN Cc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000203209 563230168 /nfs/dbraw/zinc/23/01/68/563230168.db2.gz AGCMNVXEQKFLBR-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN CC(C)(C)Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 ZINC000000206211 563230237 /nfs/dbraw/zinc/23/02/37/563230237.db2.gz GPFVCFPWFXVYQR-UHFFFAOYSA-N 0 0 312.204 4.132 50 0 DIAARN O=S(=O)(Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000000242881 563232806 /nfs/dbraw/zinc/23/28/06/563232806.db2.gz QUDIMOJJCXWWTJ-UHFFFAOYSA-N 0 0 317.797 4.294 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000000239397 563232886 /nfs/dbraw/zinc/23/28/86/563232886.db2.gz GWHSVBXLIXZLDV-AWNIVKPZSA-N 0 0 322.408 4.420 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000000245894 563233530 /nfs/dbraw/zinc/23/35/30/563233530.db2.gz RGTUZHNVAXNNKI-UHFFFAOYSA-N 0 0 323.845 4.374 50 0 DIAARN COc1cccc2c1O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000254966 563234278 /nfs/dbraw/zinc/23/42/78/563234278.db2.gz NQVQBIMDDKDYAO-HXUWFJFHSA-N 0 0 307.393 4.225 50 0 DIAARN Oc1ccccc1-c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000000265089 563234543 /nfs/dbraw/zinc/23/45/43/563234543.db2.gz JKSLJMHPVLYRES-UHFFFAOYSA-N 0 0 315.170 4.212 50 0 DIAARN Cc1cc(NC(=O)c2ccc(Br)cc2)c(C)cc1O ZINC000000268518 563234904 /nfs/dbraw/zinc/23/49/04/563234904.db2.gz CMUZXRNYZHMNLA-UHFFFAOYSA-N 0 0 320.186 4.024 50 0 DIAARN CC(=O)Nc1ccccc1NC(=O)c1ccc2ccccc2c1 ZINC000000286097 563235947 /nfs/dbraw/zinc/23/59/47/563235947.db2.gz WPQAMQNAKVJDLB-UHFFFAOYSA-N 0 0 304.349 4.051 50 0 DIAARN Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2 ZINC000000282373 563236092 /nfs/dbraw/zinc/23/60/92/563236092.db2.gz PDUWSCQCOXYEBD-UHFFFAOYSA-N 0 0 306.818 4.115 50 0 DIAARN Cc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1 ZINC000000291582 563236464 /nfs/dbraw/zinc/23/64/64/563236464.db2.gz WENODMLNWFRCRX-UHFFFAOYSA-N 0 0 305.131 4.068 50 0 DIAARN COc1cc(NC(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl ZINC000000288367 563236539 /nfs/dbraw/zinc/23/65/39/563236539.db2.gz YHDMLEJONSGHJQ-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000000291007 563236621 /nfs/dbraw/zinc/23/66/21/563236621.db2.gz ARNIATVNQNPCHO-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000292503 563236677 /nfs/dbraw/zinc/23/66/77/563236677.db2.gz XHLLVDGHRAJQTN-CABCVRRESA-N 0 0 305.299 4.448 50 0 DIAARN C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000000295749 563237240 /nfs/dbraw/zinc/23/72/40/563237240.db2.gz FDFZEIGWMIYYBS-LBPRGKRZSA-N 0 0 318.214 4.266 50 0 DIAARN CC(C)Oc1ccc(OCCn2cc(C=O)c3ccccc32)cc1 ZINC000000299665 563237722 /nfs/dbraw/zinc/23/77/22/563237722.db2.gz VJHWAJVXIUNOQU-UHFFFAOYSA-N 0 0 323.392 4.320 50 0 DIAARN CC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1 ZINC000000299349 563237820 /nfs/dbraw/zinc/23/78/20/563237820.db2.gz CHXFMVVYBXJKOW-CYBMUJFWSA-N 0 0 306.818 4.244 50 0 DIAARN COc1ccc(C(=O)Nc2ccc3ccccc3c2)c(OC)c1 ZINC000000299671 563237878 /nfs/dbraw/zinc/23/78/78/563237878.db2.gz AVLVKMUKWOULKR-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN COc1ccc(-c2noc(COc3ccc(C(C)C)cc3)n2)cc1 ZINC000000302957 563237937 /nfs/dbraw/zinc/23/79/37/563237937.db2.gz KSPBVMLEYPIYQG-UHFFFAOYSA-N 0 0 324.380 4.448 50 0 DIAARN Cc1sc2ncnc(SCC(=O)c3ccccc3)c2c1C ZINC000000302106 563237957 /nfs/dbraw/zinc/23/79/57/563237957.db2.gz GSOLCWGPVFSDCB-UHFFFAOYSA-N 0 0 314.435 4.283 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@@H]1C ZINC000000304225 563238292 /nfs/dbraw/zinc/23/82/92/563238292.db2.gz UVCNIJHXQVVPMN-NSHDSACASA-N 0 0 318.804 4.318 50 0 DIAARN OC(Cc1nc2ccccc2[nH]1)(c1ccccc1)c1ccccc1 ZINC000000305452 563238609 /nfs/dbraw/zinc/23/86/09/563238609.db2.gz HMNILUBFHJEYNX-UHFFFAOYSA-N 0 0 314.388 4.042 50 0 DIAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1C ZINC000000309470 563238901 /nfs/dbraw/zinc/23/89/01/563238901.db2.gz ZFPAIQFWRTUCMO-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN O=C(c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000000308954 563239074 /nfs/dbraw/zinc/23/90/74/563239074.db2.gz GYWZTQBPGMBXHH-UHFFFAOYSA-N 0 0 301.139 4.426 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)cc2F)c1 ZINC000000309597 563239200 /nfs/dbraw/zinc/23/92/00/563239200.db2.gz JADNIWWEWJQFNJ-UHFFFAOYSA-N 0 0 319.351 4.414 50 0 DIAARN COc1ccc([C@@H](CC(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000000308602 563239207 /nfs/dbraw/zinc/23/92/07/563239207.db2.gz YWBVCWCWVOKGDJ-SFHVURJKSA-N 0 0 311.425 4.132 50 0 DIAARN CCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000000311639 563239434 /nfs/dbraw/zinc/23/94/34/563239434.db2.gz UDAJGLZJIVOPJC-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN O=C(CSc1ccccn1)Nc1ccc(Cl)cc1Cl ZINC000000313608 563239438 /nfs/dbraw/zinc/23/94/38/563239438.db2.gz BIQIKKDRQGLNMR-UHFFFAOYSA-N 0 0 313.209 4.119 50 0 DIAARN C[C@H]1CN(c2nc(-c3ccc(Cl)cc3)cs2)C[C@H](C)O1 ZINC000000310757 563239717 /nfs/dbraw/zinc/23/97/17/563239717.db2.gz RRNYPFPSDCWQAX-QWRGUYRKSA-N 0 0 308.834 4.077 50 0 DIAARN O=c1cc(Nc2ccc(Br)cc2)c2ccccc2o1 ZINC000000313387 563239784 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Cc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c(C)c1 ZINC000032947507 563419231 /nfs/dbraw/zinc/41/92/31/563419231.db2.gz FXZINCFFOLZLDS-UHFFFAOYSA-N 0 0 303.431 4.315 50 0 DIAARN CC[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000010918612 563419540 /nfs/dbraw/zinc/41/95/40/563419540.db2.gz GLQIVINAPOEDHM-KRWDZBQOSA-N 0 0 316.832 4.287 50 0 DIAARN CN(C(=O)[C@H]1CC=CCC1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069921235 563420893 /nfs/dbraw/zinc/42/08/93/563420893.db2.gz NEIKONAKJJSKLD-KXBFYZLASA-N 0 0 324.399 4.125 50 0 DIAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC=CCC1 ZINC000025283219 563422133 /nfs/dbraw/zinc/42/21/33/563422133.db2.gz COEUMWLWBXIFLY-WOJBJXKFSA-N 0 0 305.421 4.443 50 0 DIAARN Cn1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cn1 ZINC000025307117 563422136 /nfs/dbraw/zinc/42/21/36/563422136.db2.gz ZFZAPPHIXQGSEP-UHFFFAOYSA-N 0 0 317.801 4.054 50 0 DIAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3)cc2s1 ZINC000025425827 563422732 /nfs/dbraw/zinc/42/27/32/563422732.db2.gz PBRLHHXPSJESGX-LLVKDONJSA-N 0 0 311.410 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UKICTQMGZLYLSS-LBPRGKRZSA-N 0 0 306.406 4.180 50 0 DIAARN O=C(c1cccc2ncccc21)N(Cc1ccccc1F)C1CC1 ZINC000026426052 563426110 /nfs/dbraw/zinc/42/61/10/563426110.db2.gz PNTRIWCUFLQCRT-UHFFFAOYSA-N 0 0 320.367 4.179 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)o1 ZINC000027277910 563427196 /nfs/dbraw/zinc/42/71/96/563427196.db2.gz YTVSILKTFCCTHG-YGRLFVJLSA-N 0 0 318.804 4.189 50 0 DIAARN O=C(Cc1cccs1)N[C@@H](c1cccs1)c1ccccc1 ZINC000026910613 563427349 /nfs/dbraw/zinc/42/73/49/563427349.db2.gz SNKYFEFEUFJTTO-QGZVFWFLSA-N 0 0 313.447 4.258 50 0 DIAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C ZINC000027220661 563427415 /nfs/dbraw/zinc/42/74/15/563427415.db2.gz JWJXECVIFYDOET-BONVTDFDSA-N 0 0 321.804 4.246 50 0 DIAARN Cc1cccc(COc2cccc(C(=O)Nc3cccnc3)c2)c1 ZINC000027578156 563427923 /nfs/dbraw/zinc/42/79/23/563427923.db2.gz LHWRBOYHOUOPMA-UHFFFAOYSA-N 0 0 318.376 4.221 50 0 DIAARN CCc1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 ZINC000027662304 563429604 /nfs/dbraw/zinc/42/96/04/563429604.db2.gz XZCQBFVCVQGARW-UHFFFAOYSA-N 0 0 316.404 4.491 50 0 DIAARN Cc1cn2nc(N[C@@H](C)c3cccc4ccccc43)sc2n1 ZINC000028069167 563430695 /nfs/dbraw/zinc/43/06/95/563430695.db2.gz MDRHXSTVRKDPRM-LBPRGKRZSA-N 0 0 308.410 4.426 50 0 DIAARN COCc1nn2c(nccc2-c2ccccc2)c1-c1ccccc1 ZINC000028187744 563430943 /nfs/dbraw/zinc/43/09/43/563430943.db2.gz VNGKXNDPUAPOFO-UHFFFAOYSA-N 0 0 315.376 4.210 50 0 DIAARN C[C@@H]1c2cccn2CCN1Cc1csc(Nc2ccccc2)n1 ZINC000028963215 563432749 /nfs/dbraw/zinc/43/27/49/563432749.db2.gz FIUVKDZWHZEHRW-CQSZACIVSA-N 0 0 324.453 4.265 50 0 DIAARN CC(C)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000029012992 563432866 /nfs/dbraw/zinc/43/28/66/563432866.db2.gz REQXJPUUOOJHHS-UHFFFAOYSA-N 0 0 314.332 4.423 50 0 DIAARN Cc1nc2ccc(Nc3nccc(C(F)(F)F)n3)cc2s1 ZINC000029384242 563433884 /nfs/dbraw/zinc/43/38/84/563433884.db2.gz OQESRAWOOHCQNU-UHFFFAOYSA-N 0 0 310.304 4.157 50 0 DIAARN CCCCCCNC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000029726432 563435371 /nfs/dbraw/zinc/43/53/71/563435371.db2.gz HWUVGVSWKBKAOS-GOSISDBHSA-N 0 0 311.429 4.051 50 0 DIAARN CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)CC1CCCCC1 ZINC000072286557 563435385 /nfs/dbraw/zinc/43/53/85/563435385.db2.gz PEWFYFJJZBVNHT-MRXNPFEDSA-N 0 0 323.502 4.197 50 0 DIAARN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C3CCCC3)n2)c1 ZINC000072288554 563436131 /nfs/dbraw/zinc/43/61/31/563436131.db2.gz CUABDKBZCYKGCT-SFHVURJKSA-N 0 0 323.440 4.239 50 0 DIAARN Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C3CCCC3)n2)c1 ZINC000072288555 563436314 /nfs/dbraw/zinc/43/63/14/563436314.db2.gz CUABDKBZCYKGCT-GOSISDBHSA-N 0 0 323.440 4.239 50 0 DIAARN Cc1ccsc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000030468154 563436645 /nfs/dbraw/zinc/43/66/45/563436645.db2.gz RWZWCGPOXUXXJF-JTQLQIEISA-N 0 0 324.243 4.310 50 0 DIAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000030163197 563436730 /nfs/dbraw/zinc/43/67/30/563436730.db2.gz FJQWIOFRHTXFBO-UHFFFAOYSA-N 0 0 316.134 4.202 50 0 DIAARN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1F ZINC000030549962 563436790 /nfs/dbraw/zinc/43/67/90/563436790.db2.gz DOFVJGSOWBPYRA-SECBINFHSA-N 0 0 309.793 4.300 50 0 DIAARN Cc1cccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000072292354 563437762 /nfs/dbraw/zinc/43/77/62/563437762.db2.gz XZUMOBQDWNPTEG-GOEBONIOSA-N 0 0 314.454 4.309 50 0 DIAARN Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011071653 563439591 /nfs/dbraw/zinc/43/95/91/563439591.db2.gz OWFRYECUGOKROX-UHFFFAOYSA-N 0 0 316.404 4.406 50 0 DIAARN O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc[nH]c1=S ZINC000072303812 563443273 /nfs/dbraw/zinc/44/32/73/563443273.db2.gz SRNJGCUHHKXQFN-UHFFFAOYSA-N 0 0 323.377 4.184 50 0 DIAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000033270524 563444913 /nfs/dbraw/zinc/44/49/13/563444913.db2.gz RNMFOGSPACQHAX-INIZCTEOSA-N 0 0 313.401 4.277 50 0 DIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1cc(C)ccc1C ZINC000033270525 563445004 /nfs/dbraw/zinc/44/50/04/563445004.db2.gz CDNCWNJFDBNGTH-MRXNPFEDSA-N 0 0 313.401 4.277 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000000447548 563447405 /nfs/dbraw/zinc/44/74/05/563447405.db2.gz WDSFZQBQIGKJNY-UHFFFAOYSA-N 0 0 324.424 4.328 50 0 DIAARN CCOC(=O)c1cccc(P(=O)(C(C)(C)C)C(C)(C)C)c1 ZINC000000301433 563447451 /nfs/dbraw/zinc/44/74/51/563447451.db2.gz DXHPGYIEDVCCIO-UHFFFAOYSA-N 0 0 310.374 4.449 50 0 DIAARN CCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1 ZINC000000314139 563447578 /nfs/dbraw/zinc/44/75/78/563447578.db2.gz DAJKNLPGNFQHLB-UHFFFAOYSA-N 0 0 316.426 4.274 50 0 DIAARN COc1cccc(N2C(=O)C=C(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000000462522 563448338 /nfs/dbraw/zinc/44/83/38/563448338.db2.gz MJNRUAAPPJEDQH-GOSISDBHSA-N 0 0 313.784 4.383 50 0 DIAARN CCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000002904586 563449654 /nfs/dbraw/zinc/44/96/54/563449654.db2.gz MZGUGJRYAQXAQJ-UHFFFAOYSA-N 0 0 300.358 4.128 50 0 DIAARN COc1cccc2c1N(C(C)=O)[C@@H]1C[C@@H](C)CC[C@H]1C2(C)C ZINC000005028703 563450255 /nfs/dbraw/zinc/45/02/55/563450255.db2.gz XBYIWEVXNSASAT-JGGQBBKZSA-N 0 0 301.430 4.144 50 0 DIAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000035476497 563452397 /nfs/dbraw/zinc/45/23/97/563452397.db2.gz ILYHAPUQDBEZTA-INIZCTEOSA-N 0 0 324.380 4.093 50 0 DIAARN COc1ccccc1Nc1c(-c2cccs2)nc2cnccn21 ZINC000035616094 563453376 /nfs/dbraw/zinc/45/33/76/563453376.db2.gz VNTFLMSOAJCNLF-UHFFFAOYSA-N 0 0 322.393 4.210 50 0 DIAARN CC(=O)N1N=C2/C(=C/c3ccco3)C[C@@H](C)C[C@H]2[C@@H]1c1ccco1 ZINC000036049206 563454766 /nfs/dbraw/zinc/45/47/66/563454766.db2.gz XCUSOXGYBWDEPN-QNBRHKHMSA-N 0 0 324.380 4.262 50 0 DIAARN COc1cc(OC)c2nc(N3CCCCCCC3)cc(C)c2c1 ZINC000036252719 563454808 /nfs/dbraw/zinc/45/48/08/563454808.db2.gz BBIJYCLCSJJZJB-UHFFFAOYSA-N 0 0 314.429 4.331 50 0 DIAARN Cc1nn(C)c(F)c1C(=O)Nc1ccccc1[C@H](C)CC(C)C ZINC000036470999 563455233 /nfs/dbraw/zinc/45/52/33/563455233.db2.gz GOFJDXZZHFNFLV-GFCCVEGCSA-N 0 0 317.408 4.270 50 0 in-vitro DIAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000036619692 563455496 /nfs/dbraw/zinc/45/54/96/563455496.db2.gz WUZSDLNBOVZQQQ-MRXNPFEDSA-N 0 0 324.380 4.093 50 0 DIAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000036619691 563455502 /nfs/dbraw/zinc/45/55/02/563455502.db2.gz WUZSDLNBOVZQQQ-INIZCTEOSA-N 0 0 324.380 4.093 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1cccc(F)c1 ZINC000036621160 563456496 /nfs/dbraw/zinc/45/64/96/563456496.db2.gz WICNXSKROGRIRX-INIZCTEOSA-N 0 0 320.314 4.473 50 0 DIAARN CCCCCC(=O)c1ccc(I)cc1 ZINC000036941421 563457400 /nfs/dbraw/zinc/45/74/00/563457400.db2.gz KEILKZSAIXATSK-UHFFFAOYSA-N 0 0 302.155 4.054 50 0 DIAARN C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc2ccccc21 ZINC000032986386 563458924 /nfs/dbraw/zinc/45/89/24/563458924.db2.gz HWBLXBDDIABIPT-IINYFYTJSA-N 0 0 308.208 4.211 50 0 DIAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C1 ZINC000032998004 563460200 /nfs/dbraw/zinc/46/02/00/563460200.db2.gz IVKFSFTWALNPEC-SOUVJXGZSA-N 0 0 324.468 4.411 50 0 DIAARN CCc1nc(CSc2n[nH]c(-c3ccc(C)cc3)n2)cs1 ZINC000071794634 563460367 /nfs/dbraw/zinc/46/03/67/563460367.db2.gz CBWCSYSDBNKQLK-UHFFFAOYSA-N 0 0 316.455 4.091 50 0 DIAARN Cc1ccc(-c2ncc(NC(=O)c3cccc(C)c3)cn2)cc1 ZINC000097938538 563460810 /nfs/dbraw/zinc/46/08/10/563460810.db2.gz IPLLBWNDZRAODC-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN Cc1cccc(-c2noc(-c3cccnc3NC3CCCC3)n2)c1 ZINC000033004324 563461316 /nfs/dbraw/zinc/46/13/16/563461316.db2.gz VOIQILUIEUJFCL-UHFFFAOYSA-N 0 0 320.396 4.462 50 0 DIAARN Cc1cc(C(=O)N(C)Cc2ccccc2C)c2ccccc2n1 ZINC000033000283 563461587 /nfs/dbraw/zinc/46/15/87/563461587.db2.gz URBWNZWAPJVEPJ-UHFFFAOYSA-N 0 0 304.393 4.124 50 0 DIAARN O=C(Nc1ncc(-c2ccccc2)s1)c1cc(F)ccc1F ZINC000119301217 563461633 /nfs/dbraw/zinc/46/16/33/563461633.db2.gz INMJKKUVBUVHJG-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN Fc1ccccc1[C@H]1CCN1c1ncnc2c3ccccc3oc21 ZINC000072313854 563465171 /nfs/dbraw/zinc/46/51/71/563465171.db2.gz OPFAKXNUTQLVLI-OAHLLOKOSA-N 0 0 319.339 4.467 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc3ccccc3nc2C)C1(C)C ZINC000071872192 563465487 /nfs/dbraw/zinc/46/54/87/563465487.db2.gz OEVGNJQSYVEFCE-RDTXWAMCSA-N 0 0 324.424 4.220 50 0 DIAARN COc1ccc2c(cc(C(=O)Nc3ccc(C)cc3C)n2C)c1 ZINC000048512690 563466423 /nfs/dbraw/zinc/46/64/23/563466423.db2.gz FWGUFRUGVFDKQP-UHFFFAOYSA-N 0 0 308.381 4.056 50 0 DIAARN CCc1ccc(NC(=O)c2cc3cc(OC)ccc3n2C)cc1 ZINC000048512676 563466555 /nfs/dbraw/zinc/46/65/55/563466555.db2.gz ZZBDANRRBPEDOS-UHFFFAOYSA-N 0 0 308.381 4.002 50 0 DIAARN CCCCn1c(C)c(C)nc1SCc1nnc(C2CCC2)o1 ZINC000071893954 563467746 /nfs/dbraw/zinc/46/77/46/563467746.db2.gz MQTSXRDBHUETDB-UHFFFAOYSA-N 0 0 320.462 4.243 50 0 DIAARN COc1ccc2cc(CNC(=O)c3ccc(C)c(F)c3)ccc2c1 ZINC000011125961 563469071 /nfs/dbraw/zinc/46/90/71/563469071.db2.gz MWEJJTKDZWRFBA-UHFFFAOYSA-N 0 0 323.367 4.226 50 0 DIAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(N=O)c2ccccc21 ZINC000004616593 563469701 /nfs/dbraw/zinc/46/97/01/563469701.db2.gz TVSOZIYRALRJMJ-SCLBCKFNSA-N 0 0 309.369 4.061 50 0 DIAARN Cc1cccc(CN(C(=O)CCc2ccc(O)cc2)C(C)C)c1 ZINC000055134058 563471887 /nfs/dbraw/zinc/47/18/87/563471887.db2.gz RFKOGDUYHGMPQC-UHFFFAOYSA-N 0 0 311.425 4.070 50 0 DIAARN CC(C)c1cc(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)no1 ZINC000055167474 563471928 /nfs/dbraw/zinc/47/19/28/563471928.db2.gz GKPVBLQUCKOYOP-CYBMUJFWSA-N 0 0 304.390 4.078 50 0 DIAARN CC(C)[C@@H](C)N(Cc1ccco1)Cc1nc2ccccc2n1C ZINC000055309648 563473458 /nfs/dbraw/zinc/47/34/58/563473458.db2.gz XRIUGZCOJNNHGP-OAHLLOKOSA-N 0 0 311.429 4.213 50 0 DIAARN Cc1ccc(C)c(N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000055292293 563473544 /nfs/dbraw/zinc/47/35/44/563473544.db2.gz CLUALNYYEWXCEV-UHFFFAOYSA-N 0 0 314.860 4.279 50 0 DIAARN CC(C)n1cc(CN(Cc2ccsc2)Cc2ccco2)cn1 ZINC000055358545 563474491 /nfs/dbraw/zinc/47/44/91/563474491.db2.gz AMOSCANFHIVPMY-UHFFFAOYSA-N 0 0 315.442 4.321 50 0 DIAARN Cc1cccc(-c2ncc(CN(C)[C@@H](C)c3cccnc3)cn2)c1 ZINC000055568950 563476355 /nfs/dbraw/zinc/47/63/55/563476355.db2.gz OBFUMLZCOXKRPQ-INIZCTEOSA-N 0 0 318.424 4.040 50 0 DIAARN CC(=O)Nc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000011163583 563478678 /nfs/dbraw/zinc/47/86/78/563478678.db2.gz DJIPPVRAQKFDJD-UHFFFAOYSA-N 0 0 313.740 4.276 50 0 DIAARN COC(=O)c1cc(SCc2nc(C)c(C)o2)ccc1Cl ZINC000096466056 563483637 /nfs/dbraw/zinc/48/36/37/563483637.db2.gz JKJMNTQKSGAHMR-UHFFFAOYSA-N 0 0 311.790 4.024 50 0 DIAARN C[C@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478832 563484355 /nfs/dbraw/zinc/48/43/55/563484355.db2.gz RAEJFVAKNNPRJS-BTDLBPIBSA-N 0 0 306.331 4.301 50 0 DIAARN C[C@@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 ZINC000096478834 563484510 /nfs/dbraw/zinc/48/45/10/563484510.db2.gz RAEJFVAKNNPRJS-QGHHPUGFSA-N 0 0 306.331 4.301 50 0 DIAARN O=C(C[C@@H]1C=CCC1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000096484063 563485515 /nfs/dbraw/zinc/48/55/15/563485515.db2.gz LNVIATCSPIQFRS-CQSZACIVSA-N 0 0 319.832 4.066 50 0 DIAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064985059 563486860 /nfs/dbraw/zinc/48/68/60/563486860.db2.gz TZZMPDUOYPYSTN-MRXNPFEDSA-N 0 0 313.401 4.475 50 0 DIAARN C[C@H](c1cccc(-c2ccc(C(=O)[O-])cc2Cl)c1)[NH+](C)C ZINC000067472624 563487849 /nfs/dbraw/zinc/48/78/49/563487849.db2.gz SFKXWWHNXSAKAG-LLVKDONJSA-N 0 0 303.789 4.328 50 0 DIAARN c1cn(CCCn2ccnc2-c2cc3ccccc3s2)cn1 ZINC000067692169 563488713 /nfs/dbraw/zinc/48/87/13/563488713.db2.gz FYCICNSBAUUETO-UHFFFAOYSA-N 0 0 308.410 4.052 50 0 DIAARN c1cn(-c2ccc(Oc3cccnc3)cc2)c(-c2ccncc2)n1 ZINC000067867471 563492139 /nfs/dbraw/zinc/49/21/39/563492139.db2.gz GJCMYXLNSNOCJI-UHFFFAOYSA-N 0 0 314.348 4.122 50 0 DIAARN O=C(Nc1cnc2n1CCCC2)c1ccccc1-c1ccccc1 ZINC000067946568 563493899 /nfs/dbraw/zinc/49/38/99/563493899.db2.gz OQXZFJHRGONJME-UHFFFAOYSA-N 0 0 317.392 4.139 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)c2[nH]c3ccc(C)cc3c2C)on1 ZINC000067935192 563494158 /nfs/dbraw/zinc/49/41/58/563494158.db2.gz XZUSKMJQRWJIPN-INIZCTEOSA-N 0 0 323.396 4.058 50 0 DIAARN COc1ccc(-c2cccc(-c3nnc(C)s3)c2)c(OC)c1 ZINC000067973589 563494271 /nfs/dbraw/zinc/49/42/71/563494271.db2.gz IGJVATPPCHCEPB-UHFFFAOYSA-N 0 0 312.394 4.198 50 0 DIAARN O=C1CCCCC[C@H]1Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000028188248 563494737 /nfs/dbraw/zinc/49/47/37/563494737.db2.gz WJIJXKFAVLPWSL-CYBMUJFWSA-N 0 0 321.833 4.119 50 0 DIAARN CC(=O)c1c(C)n(-c2ccccc2)c2cc(C(C)=O)c(O)cc21 ZINC000068755307 563495700 /nfs/dbraw/zinc/49/57/00/563495700.db2.gz JYVGLCIBWIDSAG-UHFFFAOYSA-N 0 0 307.349 4.050 50 0 DIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c(F)cccc1Cl ZINC000033086797 563496304 /nfs/dbraw/zinc/49/63/04/563496304.db2.gz FWKGRVYOAKNLKY-CYBMUJFWSA-N 0 0 322.767 4.061 50 0 DIAARN O=C(Nc1nccs1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000027564 563497959 /nfs/dbraw/zinc/49/79/59/563497959.db2.gz HFQVERRBTMOQJS-INIZCTEOSA-N 0 0 320.417 4.088 50 0 DIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000035674 563498231 /nfs/dbraw/zinc/49/82/31/563498231.db2.gz JNPWUZXLJHEHNB-HNNXBMFYSA-N 0 0 307.752 4.275 50 0 DIAARN COC(=O)c1scc(C)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000071289260 563498340 /nfs/dbraw/zinc/49/83/40/563498340.db2.gz LKHBDHPFRQKVPM-UHFFFAOYSA-N 0 0 324.789 4.141 50 0 DIAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2cnn(C3CCCC3)c2N1 ZINC000071280165 563498384 /nfs/dbraw/zinc/49/83/84/563498384.db2.gz BYYIXWLGCXNERZ-LBPRGKRZSA-N 0 0 317.339 4.400 50 0 DIAARN Clc1cccc(-c2cnn3c2nccc3-c2ccccn2)c1 ZINC000071285781 563498529 /nfs/dbraw/zinc/49/85/29/563498529.db2.gz DTPSOQBCWSIHPM-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN Clc1ccc(-c2cnn3c2nccc3-c2cccnc2)cc1 ZINC000071376241 563498880 /nfs/dbraw/zinc/49/88/80/563498880.db2.gz QVXBIZHOEIFFPL-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN c1coc(-c2nc3nccc(-c4ccc5ccccc5c4)n3n2)c1 ZINC000071376198 563498928 /nfs/dbraw/zinc/49/89/28/563498928.db2.gz AGBCGNPKWGSNAO-UHFFFAOYSA-N 0 0 312.332 4.205 50 0 DIAARN C[C@H](c1cccs1)n1ccnc1-c1cnc(-c2ccco2)nc1 ZINC000071416365 563499439 /nfs/dbraw/zinc/49/94/39/563499439.db2.gz UPTMANJNCBDJQA-GFCCVEGCSA-N 0 0 322.393 4.271 50 0 DIAARN Cc1ccc(F)cc1Cn1ccnc1[C@H]1CCOC(C)(C)C1 ZINC000071479655 563499494 /nfs/dbraw/zinc/49/94/94/563499494.db2.gz VZZCIKSMUVAMSE-AWEZNQCLSA-N 0 0 302.393 4.052 50 0 DIAARN Fc1cccc(F)c1CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000071575532 563499631 /nfs/dbraw/zinc/49/96/31/563499631.db2.gz WNALQPOYRBXIJJ-HNNXBMFYSA-N 0 0 316.395 4.205 50 0 DIAARN CCn1ccnc1Cn1ccnc1-c1ccccc1-c1ccco1 ZINC000071777179 563500263 /nfs/dbraw/zinc/50/02/63/563500263.db2.gz ZLUSCMDLGGQSTE-UHFFFAOYSA-N 0 0 318.380 4.075 50 0 DIAARN C[C@@H](Cc1cccs1)NC(=O)Cc1cccc2ccccc21 ZINC000033203530 563500555 /nfs/dbraw/zinc/50/05/55/563500555.db2.gz ZHWDILUTVGVXSR-AWEZNQCLSA-N 0 0 309.434 4.191 50 0 DIAARN CCc1nc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)no1 ZINC000033254207 563502256 /nfs/dbraw/zinc/50/22/56/563502256.db2.gz HOQIYMLGIQYTCU-UHFFFAOYSA-N 0 0 321.380 4.168 50 0 DIAARN Cc1ccc(-c2noc3ncnc(NC4CCCCC4)c23)cc1 ZINC000033269110 563505376 /nfs/dbraw/zinc/50/53/76/563505376.db2.gz ULCZXAKBQSFPSX-UHFFFAOYSA-N 0 0 308.385 4.338 50 0 DIAARN Nc1ccc(Cl)cc1-c1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000097105532 563505484 /nfs/dbraw/zinc/50/54/84/563505484.db2.gz KPIGLBHJHLKHRV-UHFFFAOYSA-N 0 0 310.744 4.121 50 0 DIAARN Cc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000000034701 563506381 /nfs/dbraw/zinc/50/63/81/563506381.db2.gz OUKKZEMYMQANQC-UHFFFAOYSA-N 0 0 308.406 4.274 50 0 DIAARN CCc1nc(CN[C@@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000097112297 563507075 /nfs/dbraw/zinc/50/70/75/563507075.db2.gz LKGAMUZDKFEEKR-LBPRGKRZSA-N 0 0 313.426 4.211 50 0 DIAARN Cc1ccccc1CSc1nnc(-c2cccs2)n1C ZINC000000041934 563508202 /nfs/dbraw/zinc/50/82/02/563508202.db2.gz VJTNNIOWMBZUGK-UHFFFAOYSA-N 0 0 301.440 4.144 50 0 DIAARN Cc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 ZINC000000041625 563508274 /nfs/dbraw/zinc/50/82/74/563508274.db2.gz VCUYFFBUYJYVJZ-UHFFFAOYSA-N 0 0 306.148 4.470 50 0 DIAARN O=C(CCCc1ccc(Cl)cc1)NCc1cc(F)ccc1F ZINC000077303971 563509126 /nfs/dbraw/zinc/50/91/26/563509126.db2.gz PMEDXQZHALPFAX-UHFFFAOYSA-N 0 0 323.770 4.257 50 0 DIAARN CCOc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000042701 563509311 /nfs/dbraw/zinc/50/93/11/563509311.db2.gz ISRVATMBSAPBSN-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN CC(C)C[C@@H](O)C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000077340264 563509369 /nfs/dbraw/zinc/50/93/69/563509369.db2.gz LAXSFRQVBBRGDX-QGZVFWFLSA-N 0 0 313.844 4.098 50 0 DIAARN CN(Cc1cccc2ncccc12)C(=O)c1ccc(Cl)s1 ZINC000077555669 563511822 /nfs/dbraw/zinc/51/18/22/563511822.db2.gz FCDLESLEJJBLRE-UHFFFAOYSA-N 0 0 316.813 4.222 50 0 DIAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc2ccccc2c1 ZINC000000055416 563515412 /nfs/dbraw/zinc/51/54/12/563515412.db2.gz YNNFUIDKJRMNMU-PDGQHHTCSA-N 0 0 317.319 4.323 50 0 DIAARN CC(=O)Nc1ccc(N[C@H](C)c2occc2Br)cc1 ZINC000097045607 563517432 /nfs/dbraw/zinc/51/74/32/563517432.db2.gz XDVKBDHYHMJPAP-SECBINFHSA-N 0 0 323.190 4.174 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2C(=O)CCc2ccccc2)on1 ZINC000033270044 563517989 /nfs/dbraw/zinc/51/79/89/563517989.db2.gz XTEMANZCJBDZGS-QGZVFWFLSA-N 0 0 312.413 4.094 50 0 DIAARN O=C(/C=C\c1ccccc1)OCc1cnc(-c2ccccc2)o1 ZINC000033286083 563518483 /nfs/dbraw/zinc/51/84/83/563518483.db2.gz HMCVVHZNVKOBSH-QXMHVHEDSA-N 0 0 305.333 4.098 50 0 DIAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1 ZINC000033292555 563518521 /nfs/dbraw/zinc/51/85/21/563518521.db2.gz LCJYVYSVIMUTHU-UHFFFAOYSA-N 0 0 321.380 4.249 50 0 DIAARN Cc1ocnc1CNC(=O)N(c1ccccc1)c1ccccc1 ZINC000097082845 563518587 /nfs/dbraw/zinc/51/85/87/563518587.db2.gz BNFZKSGNYJAZTF-UHFFFAOYSA-N 0 0 307.353 4.031 50 0 DIAARN COc1ccc(NC(=O)c2c(C)sc3c(C)c(C)[nH]c32)cc1 ZINC000033280463 563518622 /nfs/dbraw/zinc/51/86/22/563518622.db2.gz BADRGEKELWGTPY-UHFFFAOYSA-N 0 0 314.410 4.416 50 0 DIAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 ZINC000000068327 563518736 /nfs/dbraw/zinc/51/87/36/563518736.db2.gz FJWVJMKDPYTVIQ-UHFFFAOYSA-N 0 0 302.330 4.103 50 0 DIAARN Nc1cc(Br)c(F)c(F)c1NC1CCCCC1 ZINC000085477051 563521003 /nfs/dbraw/zinc/52/10/03/563521003.db2.gz BYCNCIKBGAAWMK-UHFFFAOYSA-N 0 0 305.166 4.054 50 0 DIAARN O=C(NCc1ccc(-c2ccoc2)o1)c1ccc2ncsc2c1 ZINC000585148122 563521721 /nfs/dbraw/zinc/52/17/21/563521721.db2.gz OTRHZCYDSLJSPQ-UHFFFAOYSA-N 0 0 324.361 4.079 50 0 DIAARN CCC[C@@H](C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000074142 563522396 /nfs/dbraw/zinc/52/23/96/563522396.db2.gz CWMRBJVFWHVVRY-SNVBAGLBSA-N 0 0 323.849 4.157 50 0 DIAARN Oc1cccc(SCc2csc(-c3ccccn3)n2)c1 ZINC000130929238 563522891 /nfs/dbraw/zinc/52/28/91/563522891.db2.gz TWQWWPGIFLIKNC-UHFFFAOYSA-N 0 0 300.408 4.203 50 0 DIAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1 ZINC000000075464 563523642 /nfs/dbraw/zinc/52/36/42/563523642.db2.gz QNFYDIBAKVERIS-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1F ZINC000098086499 563524244 /nfs/dbraw/zinc/52/42/44/563524244.db2.gz OOERYRPZVSDGJC-GDNBJRDFSA-N 0 0 313.353 4.062 50 0 DIAARN CCN(C(=O)Nc1ccc(OC)c(C)c1)[C@H](C)c1cccnc1 ZINC000072286344 563524628 /nfs/dbraw/zinc/52/46/28/563524628.db2.gz WLYPVYFLLXRCFW-CQSZACIVSA-N 0 0 313.401 4.014 50 0 DIAARN Clc1c(CSc2nc3ccccc3[nH]2)nc2ccccn21 ZINC000000083740 563524745 /nfs/dbraw/zinc/52/47/45/563524745.db2.gz DUPHNPKVDPTFFN-UHFFFAOYSA-N 0 0 314.801 4.156 50 0 DIAARN O=C(Nc1cccc2c1CCCC2)[C@H]1Cc2ccccc2S1 ZINC000011430060 563526286 /nfs/dbraw/zinc/52/62/86/563526286.db2.gz HCCROLYHGWUZDR-GOSISDBHSA-N 0 0 309.434 4.221 50 0 DIAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C2 ZINC000011424002 563526326 /nfs/dbraw/zinc/52/63/26/563526326.db2.gz SRBPRNSZYYKREF-HNNXBMFYSA-N 0 0 321.804 4.443 50 0 DIAARN O=c1c2ccccc2c(-c2cccs2)nn1Cc1ccccc1 ZINC000000087698 563527089 /nfs/dbraw/zinc/52/70/89/563527089.db2.gz GKCGMEMNUKOSMH-UHFFFAOYSA-N 0 0 318.401 4.173 50 0 DIAARN O=C(Nc1ccccc1)c1c(Cl)cc(Cl)nc1Cl ZINC000000092987 563528142 /nfs/dbraw/zinc/52/81/42/563528142.db2.gz TYIBNMHWNWLHQK-UHFFFAOYSA-N 0 0 301.560 4.294 50 0 DIAARN FC(F)(F)c1c(Br)cccc1NN1CCCCC1 ZINC000095081571 563528310 /nfs/dbraw/zinc/52/83/10/563528310.db2.gz SQZZZMWNOITPHA-UHFFFAOYSA-N 0 0 323.156 4.281 50 0 DIAARN FC(F)(F)c1ccc(NN2CCCCC2)c(Br)c1 ZINC000095081562 563528359 /nfs/dbraw/zinc/52/83/59/563528359.db2.gz OCDOKHHFJVMCMK-UHFFFAOYSA-N 0 0 323.156 4.281 50 0 DIAARN Cc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000000091292 563528441 /nfs/dbraw/zinc/52/84/41/563528441.db2.gz DZCBZFZHFTWMPR-UHFFFAOYSA-N 0 0 313.275 4.058 50 0 DIAARN Fc1cccc(OC(Cl)(Cl)Cl)c1Br ZINC000095215484 563529019 /nfs/dbraw/zinc/52/90/19/563529019.db2.gz AFNDABNKMWFVEZ-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN CCOc1cccc(=O)c2c(C)n(-c3ccc(OC)cc3)c(C)c21 ZINC000000096590 563531455 /nfs/dbraw/zinc/53/14/55/563531455.db2.gz UDGSUJVSNJZSDG-UHFFFAOYSA-N 0 0 323.392 4.015 50 0 biogenic DIAARN Cc1[nH]nc(-c2nc(C3CC3)nn2C2CCCCC2)c1Cl ZINC000096138231 563533910 /nfs/dbraw/zinc/53/39/10/563533910.db2.gz PALULAJFZJRLEC-UHFFFAOYSA-N 0 0 305.813 4.013 50 0 DIAARN Cc1scc(-c2nc([C@H]3CCOC3)no2)c1-c1ccccc1 ZINC000096154002 563534673 /nfs/dbraw/zinc/53/46/73/563534673.db2.gz CFZYDDLTHCGXLX-ZDUSSCGKSA-N 0 0 312.394 4.277 50 0 DIAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccco3)nn21 ZINC000096194396 563535260 /nfs/dbraw/zinc/53/52/60/563535260.db2.gz LDHRVNGHJVQMCN-UHFFFAOYSA-N 0 0 322.349 4.167 50 0 DIAARN CC(C)c1nc(CN2CC[C@H](c3ccccc3Cl)C2)co1 ZINC000097288794 563538719 /nfs/dbraw/zinc/53/87/19/563538719.db2.gz YNWMFEMHNHUEIO-ZDUSSCGKSA-N 0 0 304.821 4.441 50 0 DIAARN CC(C)c1cc(CN(C)Cc2ccc([C@H]3CCCCO3)o2)no1 ZINC000097425491 563539299 /nfs/dbraw/zinc/53/92/99/563539299.db2.gz MYFSHZDGFGIHMI-MRXNPFEDSA-N 0 0 318.417 4.265 50 0 DIAARN CC(C)Oc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 ZINC000097480103 563539555 /nfs/dbraw/zinc/53/95/55/563539555.db2.gz VMAFQNJKCDVRPD-UHFFFAOYSA-N 0 0 324.424 4.162 50 0 DIAARN CO[C@@H](C)c1cccc(-c2ncccc2C(=O)N2CCCCC2)c1 ZINC000097759496 563542751 /nfs/dbraw/zinc/54/27/51/563542751.db2.gz ILRWNDDKRKBHKS-HNNXBMFYSA-N 0 0 324.424 4.082 50 0 DIAARN CN(Cc1cc(C2CC2)on1)Cc1ccc([C@H]2CCCO2)s1 ZINC000097813897 563542849 /nfs/dbraw/zinc/54/28/49/563542849.db2.gz ODRZLRVUDUBFLU-OAHLLOKOSA-N 0 0 318.442 4.097 50 0 DIAARN CCOc1ccccc1NC(=O)CSc1cccc(Cl)c1 ZINC000098087037 563543906 /nfs/dbraw/zinc/54/39/06/563543906.db2.gz WJDUQTGXZCXBDW-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN O=c1c(-c2ccccc2)c(O)c2ccccc2n1-c1ccccc1 ZINC000100249999 563548756 /nfs/dbraw/zinc/54/87/56/563548756.db2.gz YWEIHGYPWBJOHR-UHFFFAOYSA-N 0 0 313.356 4.363 50 0 biogenic,in-vitro DIAARN CCc1cs/c(=N/c2ccc(Br)cc2)n1CC ZINC000100262556 563549141 /nfs/dbraw/zinc/54/91/41/563549141.db2.gz ZSKJARRVDNZHBO-FYWRMAATSA-N 0 0 311.248 4.127 50 0 DIAARN O=C1CCCC(=O)C1[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671665 563552745 /nfs/dbraw/zinc/55/27/45/563552745.db2.gz HYRDQLSRNDNBML-RBUKOAKNSA-N 0 0 310.324 4.484 50 0 DIAARN COc1ccc(Cl)cc1C[C@@H]1C(=O)Nc2c1cc(C)cc2C ZINC000101014737 563555752 /nfs/dbraw/zinc/55/57/52/563555752.db2.gz SHVPOEPCTWACNQ-HNNXBMFYSA-N 0 0 315.800 4.244 50 0 DIAARN CCc1ccc([C@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)cc1 ZINC000101030629 563556282 /nfs/dbraw/zinc/55/62/82/563556282.db2.gz ZYJHPAGANYPDCP-LJQANCHMSA-N 0 0 316.408 4.205 50 0 DIAARN CC(=O)C[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 ZINC000102278013 563559078 /nfs/dbraw/zinc/55/90/78/563559078.db2.gz SCJOTLHZVRYEBY-ATWWEQPWSA-N 0 0 310.353 4.001 50 0 DIAARN Cc1cccc(CNC(=O)CNc2ccccc2C(C)(C)C)c1 ZINC000078640182 563559366 /nfs/dbraw/zinc/55/93/66/563559366.db2.gz YWVKXOXXNFUUCF-UHFFFAOYSA-N 0 0 310.441 4.021 50 0 DIAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccn2)ccc1F ZINC000102578044 563559437 /nfs/dbraw/zinc/55/94/37/563559437.db2.gz VEWXPGRGETVIPD-BJWYYQGGSA-N 0 0 324.399 4.080 50 0 DIAARN Fc1nc(F)c(F)c(Sc2nc3ccccc3s2)c1F ZINC000000103131 563568412 /nfs/dbraw/zinc/56/84/12/563568412.db2.gz FBRAMGXKCLFGKA-UHFFFAOYSA-N 0 0 316.304 4.399 50 0 DIAARN CCCN(CCC)c1cc(C)nc2nc(-c3cccc(C)c3)nn21 ZINC000014610513 563568594 /nfs/dbraw/zinc/56/85/94/563568594.db2.gz DWGSVBTXWPXWCB-UHFFFAOYSA-N 0 0 323.444 4.035 50 0 DIAARN CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)cc1 ZINC000000111977 563570223 /nfs/dbraw/zinc/57/02/23/563570223.db2.gz AGOLBKCUFCQBBN-UHFFFAOYSA-N 0 0 324.376 4.484 50 0 biogenic DIAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)cc1 ZINC000000111972 563570238 /nfs/dbraw/zinc/57/02/38/563570238.db2.gz HMWAHDQOJIGTMA-UHFFFAOYSA-N 0 0 310.349 4.094 50 0 biogenic DIAARN CCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000000107815 563570288 /nfs/dbraw/zinc/57/02/88/563570288.db2.gz QZQVNIGHLYUJII-UHFFFAOYSA-N 0 0 315.760 4.282 50 0 DIAARN CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000000113287 563570939 /nfs/dbraw/zinc/57/09/39/563570939.db2.gz DAWSYIQAGQMLFS-GOSISDBHSA-N 0 0 324.376 4.313 50 0 biogenic,in-vitro DIAARN Cc1cc(C)n(-c2nnc(-c3ccccc3)c3ccccc32)n1 ZINC000000126528 563571566 /nfs/dbraw/zinc/57/15/66/563571566.db2.gz JPBHISAWQQJLTK-UHFFFAOYSA-N 0 0 300.365 4.099 50 0 DIAARN Cc1ccc(OCC(=O)Oc2ccc(Cl)cc2C)c(C)c1 ZINC000000122579 563571675 /nfs/dbraw/zinc/57/16/75/563571675.db2.gz KKUMIOGBTUDVTD-UHFFFAOYSA-N 0 0 304.773 4.250 50 0 DIAARN Cc1cc(C)n(-c2nnc(-c3ccc(F)cc3)c3ccccc32)n1 ZINC000000137313 563571828 /nfs/dbraw/zinc/57/18/28/563571828.db2.gz DQTLPFRZFUIKSA-UHFFFAOYSA-N 0 0 318.355 4.238 50 0 DIAARN Cc1ccccc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000000130353 563572148 /nfs/dbraw/zinc/57/21/48/563572148.db2.gz VZRQOVHPJHIRJW-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(Oc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000000146683 563572517 /nfs/dbraw/zinc/57/25/17/563572517.db2.gz ZWHADKVICFEUNP-UHFFFAOYSA-N 0 0 311.562 4.322 50 0 DIAARN CC1(C)[C@H](C(=O)N2CCc3ccccc32)[C@H]1C=C(Cl)Cl ZINC000000140066 563572702 /nfs/dbraw/zinc/57/27/02/563572702.db2.gz VPMMVEONLTVGLR-RISCZKNCSA-N 0 0 310.224 4.167 50 0 DIAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCc2ccccc21 ZINC000000140061 563572848 /nfs/dbraw/zinc/57/28/48/563572848.db2.gz VPMMVEONLTVGLR-FZMZJTMJSA-N 0 0 310.224 4.167 50 0 DIAARN COC(=O)c1ccc(Nc2cc(C)nc3c(OC)cccc23)cc1 ZINC000000142081 563572891 /nfs/dbraw/zinc/57/28/91/563572891.db2.gz ZIERNMGTDBJHMB-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN COc1ccccc1/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000149690 563573267 /nfs/dbraw/zinc/57/32/67/563573267.db2.gz DKZKKRXHJBBPAK-MDZDMXLPSA-N 0 0 321.298 4.366 50 0 DIAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc2ccccc12 ZINC000000176673 563575247 /nfs/dbraw/zinc/57/52/47/563575247.db2.gz ZTTLBDUYTDNPLC-PDGQHHTCSA-N 0 0 317.319 4.323 50 0 DIAARN Cc1cc(C)n2cc(CSc3ccc(Cl)cc3)nc2n1 ZINC000000176233 563575259 /nfs/dbraw/zinc/57/52/59/563575259.db2.gz HPXSDJCJKZQLRF-UHFFFAOYSA-N 0 0 303.818 4.292 50 0 DIAARN Cc1cccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c1 ZINC000000177252 563575274 /nfs/dbraw/zinc/57/52/74/563575274.db2.gz GGEFTKHXYAXEGY-PDGQHHTCSA-N 0 0 305.377 4.463 50 0 DIAARN O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCCC1 ZINC000000179796 563575681 /nfs/dbraw/zinc/57/56/81/563575681.db2.gz YVKZZKOGSXBRKJ-UHFFFAOYSA-N 0 0 300.427 4.253 50 0 DIAARN COc1ccc(-n2ncnc2-c2ccc(Cl)cc2Cl)cc1 ZINC000000180954 563575733 /nfs/dbraw/zinc/57/57/33/563575733.db2.gz JSFJWJPUNLRDDF-UHFFFAOYSA-N 0 0 320.179 4.250 50 0 DIAARN CCCC1CCC(c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000000182969 563575981 /nfs/dbraw/zinc/57/59/81/563575981.db2.gz NEUVJTZTUFZAIC-UHFFFAOYSA-N 0 0 315.457 4.233 50 0 DIAARN Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)c2ccccc12 ZINC000000188620 563576036 /nfs/dbraw/zinc/57/60/36/563576036.db2.gz VWOICHOMQVSPIY-UHFFFAOYSA-N 0 0 305.164 4.001 50 0 DIAARN Cc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c(C)c1 ZINC000000186220 563576892 /nfs/dbraw/zinc/57/68/92/563576892.db2.gz PYPBJNFBKQBWNE-YBEGLDIGSA-N 0 0 311.768 4.301 50 0 DIAARN CC(C)OCc1c2ccccc2oc1C(=O)N1CCCCCC1 ZINC000050079121 563577806 /nfs/dbraw/zinc/57/78/06/563577806.db2.gz OVTZEEFNLQKBFF-UHFFFAOYSA-N 0 0 315.413 4.374 50 0 DIAARN Cc1cccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)c1 ZINC000000216244 563578501 /nfs/dbraw/zinc/57/85/01/563578501.db2.gz NWSPJXSJAQOQGW-UHFFFAOYSA-N 0 0 319.408 4.006 50 0 DIAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1N[C@@H](C)CC ZINC000000211199 563578782 /nfs/dbraw/zinc/57/87/82/563578782.db2.gz FKMQQJYJQXKPAE-LBPRGKRZSA-N 0 0 316.401 4.021 50 0 DIAARN Cn1cc(CCCC(=O)NC2CCCCCC2)c2ccccc21 ZINC000000218758 563579187 /nfs/dbraw/zinc/57/91/87/563579187.db2.gz YETXTXKYGCGQFU-UHFFFAOYSA-N 0 0 312.457 4.340 50 0 DIAARN O=C(Nc1cccnc1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000233848 563579874 /nfs/dbraw/zinc/57/98/74/563579874.db2.gz PPQJGPFRDBVXMG-LJQANCHMSA-N 0 0 314.388 4.026 50 0 DIAARN Cc1ccc(C(=O)Oc2ccc(Br)cc2)cc1C ZINC000000236107 563580529 /nfs/dbraw/zinc/58/05/29/563580529.db2.gz PLJBXLHCABFQMX-UHFFFAOYSA-N 0 0 305.171 4.285 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000000248033 563581906 /nfs/dbraw/zinc/58/19/06/563581906.db2.gz AIQFMLWABGCAHE-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN C[C@@H]1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000000258021 563582992 /nfs/dbraw/zinc/58/29/92/563582992.db2.gz LQRPPJHEKAZORL-SECBINFHSA-N 0 0 303.258 4.422 50 0 DIAARN CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(F)cc1 ZINC000000266470 563583748 /nfs/dbraw/zinc/58/37/48/563583748.db2.gz NWJICWDUTQURFJ-UHFFFAOYSA-N 0 0 314.337 4.462 50 0 DIAARN Cc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1 ZINC000000290782 563585332 /nfs/dbraw/zinc/58/53/32/563585332.db2.gz QNNOXYPXMGGSAT-UHFFFAOYSA-N 0 0 311.776 4.321 50 0 DIAARN Cc1ccc(NCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000000292691 563585480 /nfs/dbraw/zinc/58/54/80/563585480.db2.gz MYKOUURNOYZDLW-UHFFFAOYSA-N 0 0 320.186 4.098 50 0 DIAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1 ZINC000000303088 563586782 /nfs/dbraw/zinc/58/67/82/563586782.db2.gz OZJRPNMZOSCEMZ-UHFFFAOYSA-N 0 0 317.348 4.384 50 0 DIAARN Clc1cc(NCc2cccnc2)ccc1N1CCCCC1 ZINC000000308531 563587619 /nfs/dbraw/zinc/58/76/19/563587619.db2.gz ZIVYTPGQOXDLSN-UHFFFAOYSA-N 0 0 301.821 4.337 50 0 DIAARN Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)cc1 ZINC000000315681 563588084 /nfs/dbraw/zinc/58/80/84/563588084.db2.gz SCSFUNGFLDMLNL-CPNJWEJPSA-N 0 0 313.356 4.493 50 0 DIAARN COC(C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000000327845 563588212 /nfs/dbraw/zinc/58/82/12/563588212.db2.gz WAOMKTQAGZQVAL-UHFFFAOYSA-N 0 0 317.388 4.215 50 0 DIAARN COc1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000000336652 563588599 /nfs/dbraw/zinc/58/85/99/563588599.db2.gz ZDIAFTQHBBYUIU-UHFFFAOYSA-N 0 0 312.756 4.149 50 0 DIAARN Cc1ccc(C)c(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000000325398 563588755 /nfs/dbraw/zinc/58/87/55/563588755.db2.gz FHGXBFMPPIFOTQ-MHWRWJLKSA-N 0 0 311.768 4.301 50 0 DIAARN COc1ccc(N[P@](C)(=O)Oc2ccccc2OC)cc1 ZINC000000326129 563589022 /nfs/dbraw/zinc/58/90/22/563589022.db2.gz ZJCNBWBCHYCDPG-OAQYLSRUSA-N 0 0 307.286 4.018 50 0 DIAARN O[C@@H]1c2ccccc2CSc2ccc(Br)cc21 ZINC000000346232 563589472 /nfs/dbraw/zinc/58/94/72/563589472.db2.gz XVMFFXVKTTYDSY-CQSZACIVSA-N 0 0 307.212 4.137 50 0 DIAARN CCN1C(=S)N(c2ccccc2)N[C@]12C[C@H](C)CC(C)(C)C2 ZINC000000355372 563590026 /nfs/dbraw/zinc/59/00/26/563590026.db2.gz FKKAFWOXELDWEF-RDTXWAMCSA-N 0 0 317.502 4.161 50 0 DIAARN CC(C)(C)n1ncc(Oc2ccc(Cl)cc2)c(Cl)c1=O ZINC000000367026 563590751 /nfs/dbraw/zinc/59/07/51/563590751.db2.gz CIMMHMPTLDXBPH-UHFFFAOYSA-N 0 0 313.184 4.097 50 0 DIAARN CCCC(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl ZINC000000365522 563590776 /nfs/dbraw/zinc/59/07/76/563590776.db2.gz JJZHKRCDURDHOO-UHFFFAOYSA-N 0 0 322.836 4.141 50 0 DIAARN COc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC(F)F ZINC000000375181 563591213 /nfs/dbraw/zinc/59/12/13/563591213.db2.gz UDWKVCWUEXSMBB-UHFFFAOYSA-N 0 0 321.323 4.166 50 0 DIAARN C(=C\c1nc2ccccc2c(N2CCCC2)n1)\c1ccccc1 ZINC000033420446 563591783 /nfs/dbraw/zinc/59/17/83/563591783.db2.gz LXCHXBMLVWLBGA-SEYXRHQNSA-N 0 0 301.393 4.400 50 0 DIAARN COC(=O)c1ccc(Cn2cnc3cc4ccccc4cc32)cc1 ZINC000000386975 563591824 /nfs/dbraw/zinc/59/18/24/563591824.db2.gz RXWTXZWWCRPLLO-UHFFFAOYSA-N 0 0 316.360 4.024 50 0 DIAARN COc1ccc(-c2cc(CSc3nc(C)cs3)on2)cc1 ZINC000008729007 563592752 /nfs/dbraw/zinc/59/27/52/563592752.db2.gz XSVFBIUAJKESPC-UHFFFAOYSA-N 0 0 318.423 4.407 50 0 DIAARN COc1ccc(/C=C\C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000033825766 563597352 /nfs/dbraw/zinc/59/73/52/563597352.db2.gz CKVXCLAUCZMQBO-POHAHGRESA-N 0 0 324.405 4.265 50 0 DIAARN Cc1nc(C)c(C(=O)Nc2ccccc2N2CCCCC2)s1 ZINC000033859202 563598185 /nfs/dbraw/zinc/59/81/85/563598185.db2.gz JZZNKSHPHXIYKV-UHFFFAOYSA-N 0 0 315.442 4.003 50 0 DIAARN C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1cccs1 ZINC000044315246 563599517 /nfs/dbraw/zinc/59/95/17/563599517.db2.gz HXRTVNCBFSQNAR-STQMWFEESA-N 0 0 305.468 4.247 50 0 DIAARN CC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000011907828 563601217 /nfs/dbraw/zinc/60/12/17/563601217.db2.gz MUCMFNLUJUDAGE-UHFFFAOYSA-N 0 0 303.365 4.398 50 0 DIAARN O=C(c1ccccc1F)N(Cc1cccs1)c1ccccn1 ZINC000011916530 563601649 /nfs/dbraw/zinc/60/16/49/563601649.db2.gz KQCXEWWVQYZBTG-UHFFFAOYSA-N 0 0 312.369 4.129 50 0 DIAARN Cc1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 ZINC000011914718 563601691 /nfs/dbraw/zinc/60/16/91/563601691.db2.gz IMWSKFLFWVIYSX-UHFFFAOYSA-N 0 0 308.406 4.299 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000011915489 563602223 /nfs/dbraw/zinc/60/22/23/563602223.db2.gz ICPHRIQNFDDMIZ-SNVBAGLBSA-N 0 0 324.380 4.415 50 0 DIAARN Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 ZINC000011916867 563602266 /nfs/dbraw/zinc/60/22/66/563602266.db2.gz WLVQZCQETALQKD-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN Cc1cccc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)c1C ZINC000125498925 563602974 /nfs/dbraw/zinc/60/29/74/563602974.db2.gz OLPKMIVPYQAKTQ-QGZVFWFLSA-N 0 0 324.424 4.148 50 0 DIAARN COCc1ccccc1NC(=O)Cc1coc2c1ccc(C)c2C ZINC000044549074 563603603 /nfs/dbraw/zinc/60/36/03/563603603.db2.gz JAGWPRIWWFOWRJ-UHFFFAOYSA-N 0 0 323.392 4.377 50 0 DIAARN COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000196362 563609985 /nfs/dbraw/zinc/60/99/85/563609985.db2.gz NVXZIKKGGPKDLD-INIZCTEOSA-N 0 0 319.813 4.127 50 0 DIAARN Cc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 ZINC000000421851 563611516 /nfs/dbraw/zinc/61/15/16/563611516.db2.gz LRBXHUYPZMILNJ-UHFFFAOYSA-N 0 0 324.405 4.328 50 0 DIAARN CSc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000000423956 563611907 /nfs/dbraw/zinc/61/19/07/563611907.db2.gz IBPGQRQERVNREJ-INIZCTEOSA-N 0 0 319.426 4.326 50 0 DIAARN Cc1cccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=S)c1 ZINC000000424442 563612086 /nfs/dbraw/zinc/61/20/86/563612086.db2.gz SQAYFCHORHOJAD-UHFFFAOYSA-N 0 0 310.378 4.239 50 0 DIAARN Cc1ccc(F)cc1N1C(=O)CS[C@H]1c1cccc(F)c1 ZINC000000424005 563612107 /nfs/dbraw/zinc/61/21/07/563612107.db2.gz ZFOAVAZJOGZFKA-INIZCTEOSA-N 0 0 305.349 4.052 50 0 DIAARN Cc1cc(C)c2c(N)c(-c3nnc(-c4ccccc4)o3)sc2n1 ZINC000000422671 563612681 /nfs/dbraw/zinc/61/26/81/563612681.db2.gz RBDSJSBVIBBDPV-UHFFFAOYSA-N 0 0 322.393 4.212 50 0 DIAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1ccccc1O2 ZINC000000422926 563612767 /nfs/dbraw/zinc/61/27/67/563612767.db2.gz WDCDCOYDLLWGHI-RHSMWYFYSA-N 0 0 314.772 4.110 50 0 DIAARN Cc1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1 ZINC000000425861 563613379 /nfs/dbraw/zinc/61/33/79/563613379.db2.gz IOSNPIUTEYHBHM-UHFFFAOYSA-N 0 0 310.422 4.218 50 0 DIAARN COc1ccc(/C=C/C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)cc1 ZINC000000430555 563613916 /nfs/dbraw/zinc/61/39/16/563613916.db2.gz ZWFLFGQUXOPKQA-KTYKIUSQSA-N 0 0 319.360 4.013 50 0 DIAARN CCN1c2ccc(NC(=O)c3cccs3)c3cccc(c23)C1=O ZINC000000434280 563614549 /nfs/dbraw/zinc/61/45/49/563614549.db2.gz RPKHRRPCQYPVPU-UHFFFAOYSA-N 0 0 322.389 4.134 50 0 DIAARN COc1ccccc1[C@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000000124193 563614988 /nfs/dbraw/zinc/61/49/88/563614988.db2.gz ZIRWQVGMBRMAPT-QGZVFWFLSA-N 0 0 303.361 4.323 50 0 DIAARN c1ccc2c(c1)nc(-c1cccnc1)nc2NC1CCCCC1 ZINC000000441602 563615017 /nfs/dbraw/zinc/61/50/17/563615017.db2.gz VTJDAALCLRKSIX-UHFFFAOYSA-N 0 0 304.397 4.436 50 0 DIAARN CC(C)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000000557633 563615188 /nfs/dbraw/zinc/61/51/88/563615188.db2.gz RPZKGAKKVJTKEW-UHFFFAOYSA-N 0 0 307.349 4.169 50 0 DIAARN CN(C)C(=O)c1ccc(CSc2ccnc3ccccc32)cc1 ZINC000074016355 563616229 /nfs/dbraw/zinc/61/62/29/563616229.db2.gz ODGXENLYMUBSOO-UHFFFAOYSA-N 0 0 322.433 4.229 50 0 DIAARN Brc1ccc(Nc2ncnc3ccccc32)cc1 ZINC000000144105 563617461 /nfs/dbraw/zinc/61/74/61/563617461.db2.gz QHSMLFMOCOYDBD-UHFFFAOYSA-N 0 0 300.159 4.136 50 0 DIAARN Cc1nn(C(C)C)c(C)c1NC(=O)NC(C)(C)CC(C)(C)C ZINC000078757426 563617948 /nfs/dbraw/zinc/61/79/48/563617948.db2.gz BHUMTBXNMZXBKA-UHFFFAOYSA-N 0 0 308.470 4.417 50 0 DIAARN CSc1ccccc1C(=O)Nc1cnccc1OC(C)(C)C ZINC000179293397 563618491 /nfs/dbraw/zinc/61/84/91/563618491.db2.gz FIUJLNHCDRYUMO-UHFFFAOYSA-N 0 0 316.426 4.233 50 0 DIAARN Cc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000005342364 563620454 /nfs/dbraw/zinc/62/04/54/563620454.db2.gz MZEAJESBFNEPLP-UHFFFAOYSA-N 0 0 304.393 4.047 50 0 DIAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1cccc(Cl)c1 ZINC000001512856 563620823 /nfs/dbraw/zinc/62/08/23/563620823.db2.gz AGGYKIFREHTPLF-UHFFFAOYSA-N 0 0 324.739 4.480 50 0 DIAARN Cc1cc(C)c(C)c(S(=O)(=O)Oc2ccc(Cl)cc2)c1C ZINC000005555541 563623407 /nfs/dbraw/zinc/62/34/07/563623407.db2.gz XXISUVWELSJYCI-UHFFFAOYSA-N 0 0 324.829 4.341 50 0 DIAARN CSc1ccc(CSCC(=O)NCc2cccs2)cc1 ZINC000007208248 563624665 /nfs/dbraw/zinc/62/46/65/563624665.db2.gz FBLPTMBDMGTLQH-UHFFFAOYSA-N 0 0 323.508 4.020 50 0 DIAARN CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000179933571 563624827 /nfs/dbraw/zinc/62/48/27/563624827.db2.gz TXYPLCIETRQINB-QGZVFWFLSA-N 0 0 317.477 4.347 50 0 DIAARN CC(C)[C@H](C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000017357428 563627323 /nfs/dbraw/zinc/62/73/23/563627323.db2.gz YKJYVZAMVLPTPW-SFHVURJKSA-N 0 0 315.844 4.439 50 0 DIAARN FC(F)(F)c1cccc(CN2CCN(c3ccccc3)CC2)c1 ZINC000000237184 563628286 /nfs/dbraw/zinc/62/82/86/563628286.db2.gz WZOKPLZWQAWTGI-UHFFFAOYSA-N 0 0 320.358 4.028 50 0 DIAARN CCN(c1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000000157664 563628362 /nfs/dbraw/zinc/62/83/62/563628362.db2.gz WYZWBJIPTSCACL-UHFFFAOYSA-N 0 0 311.406 4.055 50 0 DIAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2o1 ZINC000000094230 563628836 /nfs/dbraw/zinc/62/88/36/563628836.db2.gz HQDACEOPSZGKNE-UHFFFAOYSA-N 0 0 313.378 4.331 50 0 DIAARN CC(=O)c1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000000486641 563629781 /nfs/dbraw/zinc/62/97/81/563629781.db2.gz ILASKJCQJCCFED-UHFFFAOYSA-N 0 0 303.361 4.224 50 0 DIAARN Cc1cc(OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000000406900 563630241 /nfs/dbraw/zinc/63/02/41/563630241.db2.gz JZYAVQVNTWJYBL-UHFFFAOYSA-N 0 0 306.361 4.169 50 0 DIAARN CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000444457 563630327 /nfs/dbraw/zinc/63/03/27/563630327.db2.gz VFSYJUUTWVSCJC-UHFFFAOYSA-N 0 0 308.337 4.034 50 0 DIAARN O=c1cc(-c2ccccc2)oc2ccc(Br)cc12 ZINC000000058081 563634905 /nfs/dbraw/zinc/63/49/05/563634905.db2.gz LPOZDKMXSPAATL-UHFFFAOYSA-N 0 0 301.139 4.223 50 0 biogenic,in-vivo DIAARN CC1(C)CC(=O)c2ccc(OCc3ccccc3F)cc2O1 ZINC000003126304 563635899 /nfs/dbraw/zinc/63/58/99/563635899.db2.gz FZKRDIRPJCIHQH-UHFFFAOYSA-N 0 0 300.329 4.149 50 0 DIAARN Cc1ccc2cc(CNc3cccc(C[S@](C)=O)c3)ccc2n1 ZINC000189396816 563638618 /nfs/dbraw/zinc/63/86/18/563638618.db2.gz LZKJJVBEORMEMB-QHCPKHFHSA-N 0 0 324.449 4.034 50 0 DIAARN O=C(C1CCC1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206994274 563642222 /nfs/dbraw/zinc/64/22/22/563642222.db2.gz UAAPVXSBVQSEJN-HNNXBMFYSA-N 0 0 309.862 4.147 50 0 DIAARN O=C(c1ccccc1Cl)N1CCS[C@@H](c2ccco2)CC1 ZINC000207006637 563643493 /nfs/dbraw/zinc/64/34/93/563643493.db2.gz DVRGLNAWAWRJRB-OAHLLOKOSA-N 0 0 321.829 4.253 50 0 DIAARN CCc1cc(=O)oc2cc(C)cc(OCc3cccc(OC)c3)c12 ZINC000000488524 563649118 /nfs/dbraw/zinc/64/91/18/563649118.db2.gz PDEMCMNMUWWULC-UHFFFAOYSA-N 0 0 324.376 4.251 50 0 biogenic DIAARN Cc1occc1CN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000583652315 563651535 /nfs/dbraw/zinc/65/15/35/563651535.db2.gz RHMIFNPJJCBGCQ-JTQLQIEISA-N 0 0 305.328 4.184 50 0 DIAARN CC[C@@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C ZINC000000501212 563653397 /nfs/dbraw/zinc/65/33/97/563653397.db2.gz MUVVNQHRUQTFFH-PXAZEXFGSA-N 0 0 324.852 4.258 50 0 DIAARN CC[C@@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C ZINC000000501210 563653537 /nfs/dbraw/zinc/65/35/37/563653537.db2.gz MUVVNQHRUQTFFH-SJKOYZFVSA-N 0 0 324.852 4.258 50 0 DIAARN CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCc2ccccc21 ZINC000012794887 563654076 /nfs/dbraw/zinc/65/40/76/563654076.db2.gz VJVSWJRPLSNXPL-FQEVSTJZSA-N 0 0 318.420 4.246 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000000503961 563654411 /nfs/dbraw/zinc/65/44/11/563654411.db2.gz VHGSMLQSLLLMCK-UHFFFAOYSA-N 0 0 321.323 4.015 50 0 DIAARN CCN(C(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 ZINC000000505185 563656053 /nfs/dbraw/zinc/65/60/53/563656053.db2.gz CIMAOBMYRHWDCO-UHFFFAOYSA-N 0 0 303.789 4.080 50 0 DIAARN CC1(C)N=NC(S(=O)(=O)c2ccccc2)=C1c1ccccc1 ZINC000005705729 563657279 /nfs/dbraw/zinc/65/72/79/563657279.db2.gz MEOOXLAVLAIKTK-UHFFFAOYSA-N 0 0 312.394 4.074 50 0 DIAARN CCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 ZINC000101943112 563657895 /nfs/dbraw/zinc/65/78/95/563657895.db2.gz VLCGRKLEXZNONC-UHFFFAOYSA-N 0 0 315.376 4.331 50 0 DIAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)[C@H]1C ZINC000102183266 563658621 /nfs/dbraw/zinc/65/86/21/563658621.db2.gz CYUJHOQGXMZASB-MBNYWOFBSA-N 0 0 311.878 4.373 50 0 DIAARN O=C(C[C@H](Cc1ccccc1)c1ccco1)Nc1nccs1 ZINC000000510143 563659649 /nfs/dbraw/zinc/65/96/49/563659649.db2.gz XCBKVSRNHRCRML-AWEZNQCLSA-N 0 0 312.394 4.091 50 0 DIAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc2ccccc2c1 ZINC000000520009 563662665 /nfs/dbraw/zinc/66/26/65/563662665.db2.gz SDZMMIWOBBRMHP-PDGQHHTCSA-N 0 0 317.319 4.323 50 0 DIAARN O=c1cc(-c2ccccc2F)oc2ccc(Br)cc12 ZINC000000521850 563664501 /nfs/dbraw/zinc/66/45/01/563664501.db2.gz DAYQXLQRTQODQF-UHFFFAOYSA-N 0 0 319.129 4.362 50 0 DIAARN O=C(CSc1nc2ccccc2o1)c1ccc(F)cc1F ZINC000014142295 563665316 /nfs/dbraw/zinc/66/53/16/563665316.db2.gz NQDOZAMMKIBAGJ-UHFFFAOYSA-N 0 0 305.305 4.081 50 0 DIAARN Clc1ccccc1[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000531923 563666140 /nfs/dbraw/zinc/66/61/40/563666140.db2.gz TUUXKVQSJDVIOR-CVEARBPZSA-N 0 0 310.788 4.078 50 0 DIAARN CCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 ZINC000000533639 563666704 /nfs/dbraw/zinc/66/67/04/563666704.db2.gz QGWRRXMCKWQRLY-UHFFFAOYSA-N 0 0 302.381 4.365 50 0 DIAARN CCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 ZINC000000537566 563666795 /nfs/dbraw/zinc/66/67/95/563666795.db2.gz NVHQGIJQMDDTHJ-UHFFFAOYSA-N 0 0 306.344 4.196 50 0 DIAARN O=C(NCC[C@@H](c1ccco1)c1ccccc1)c1cccs1 ZINC000000536320 563667122 /nfs/dbraw/zinc/66/71/22/563667122.db2.gz NHRHDXBPINCSKX-OAHLLOKOSA-N 0 0 311.406 4.293 50 0 DIAARN Brc1ccc(C2=NO[C@@H](c3cccs3)C2)cc1 ZINC000000536761 563667315 /nfs/dbraw/zinc/66/73/15/563667315.db2.gz JNCUVQHTTIPFIQ-GFCCVEGCSA-N 0 0 308.200 4.376 50 0 DIAARN Cc1ccc2[nH]c3c(ncnc3NCCc3ccc(F)cc3)c2c1 ZINC000000540980 563668116 /nfs/dbraw/zinc/66/81/16/563668116.db2.gz LHMMWAIPSKEJOP-UHFFFAOYSA-N 0 0 320.371 4.213 50 0 DIAARN Cc1ccc2[nH]c3c(ncnc3NCCc3ccccc3F)c2c1 ZINC000000545005 563669011 /nfs/dbraw/zinc/66/90/11/563669011.db2.gz KKDSGCRVUJDQAK-UHFFFAOYSA-N 0 0 320.371 4.213 50 0 DIAARN CCOc1ccc2nc(SCc3ccccn3)sc2c1 ZINC000000546410 563669336 /nfs/dbraw/zinc/66/93/36/563669336.db2.gz VSLLTLWXMHZBRR-UHFFFAOYSA-N 0 0 302.424 4.382 50 0 DIAARN CCN(CC)c1ccc(Nc2c(F)c(F)nc(F)c2F)cc1 ZINC000000551572 563670014 /nfs/dbraw/zinc/67/00/14/563670014.db2.gz ZGZSIZQFKGBEDB-UHFFFAOYSA-N 0 0 313.298 4.228 50 0 DIAARN Cc1ccc(-c2nn3c(nnc3-c3ccc(C)cc3)s2)cc1 ZINC000000554414 563670254 /nfs/dbraw/zinc/67/02/54/563670254.db2.gz UGOHXAOODWZAEU-UHFFFAOYSA-N 0 0 306.394 4.137 50 0 DIAARN CCC(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 ZINC000000560734 563670758 /nfs/dbraw/zinc/67/07/58/563670758.db2.gz VLYSKKBXAFTPKA-UHFFFAOYSA-N 0 0 324.355 4.012 50 0 DIAARN CSc1ccc([C@@H]2NC(=O)N=C3c4ccccc4CCC32)cc1 ZINC000000564129 563670957 /nfs/dbraw/zinc/67/09/57/563670957.db2.gz HBKNOXSPDUSNRM-KRWDZBQOSA-N 0 0 322.433 4.120 50 0 DIAARN COC(=O)c1c(NCc2ccc(C)cc2)onc1-c1ccccc1 ZINC000046914752 563678161 /nfs/dbraw/zinc/67/81/61/563678161.db2.gz PHHGZXDOVCRZBW-UHFFFAOYSA-N 0 0 322.364 4.049 50 0 DIAARN Cc1occc1C(=O)Nc1ncc(Cc2ccccc2C)s1 ZINC000047183958 563678984 /nfs/dbraw/zinc/67/89/84/563678984.db2.gz MZBDWNHIQJOESM-UHFFFAOYSA-N 0 0 312.394 4.196 50 0 DIAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1C ZINC000047157736 563679048 /nfs/dbraw/zinc/67/90/48/563679048.db2.gz TUARMQBXZYXZLX-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN CN(Cc1csc2ccccc12)C(=O)c1ccc2[nH]cnc2c1 ZINC000047181729 563679093 /nfs/dbraw/zinc/67/90/93/563679093.db2.gz XOMNBQXUHLWTLM-UHFFFAOYSA-N 0 0 321.405 4.050 50 0 DIAARN Cc1cnc([C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)s1 ZINC000110626540 563679131 /nfs/dbraw/zinc/67/91/31/563679131.db2.gz RXAYWWLQLSTREV-QSGSBWRWSA-N 0 0 302.443 4.409 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003479659 563680976 /nfs/dbraw/zinc/68/09/76/563680976.db2.gz CDOBNKHSCRUSNU-UHFFFAOYSA-N 0 0 307.271 4.160 50 0 DIAARN CN(Cc1ccc(Cl)s1)Cc1nnc(-c2ccccc2)o1 ZINC000044868025 563684706 /nfs/dbraw/zinc/68/47/06/563684706.db2.gz GWNDLSWBGSAFEI-UHFFFAOYSA-N 0 0 319.817 4.084 50 0 DIAARN COc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000044844941 563685375 /nfs/dbraw/zinc/68/53/75/563685375.db2.gz OBDLEYKZUNSEOU-UHFFFAOYSA-N 0 0 310.275 4.358 50 0 DIAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccco2)o1 ZINC000045003281 563687515 /nfs/dbraw/zinc/68/75/15/563687515.db2.gz XABVNYBWRQYEGD-LBPRGKRZSA-N 0 0 323.352 4.269 50 0 DIAARN Cc1ccc([C@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)o1 ZINC000045042731 563687704 /nfs/dbraw/zinc/68/77/04/563687704.db2.gz WQLUJHWHKKFQOR-ZDUSSCGKSA-N 0 0 317.433 4.154 50 0 DIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@H]1c1ccccc1 ZINC000045120409 563688223 /nfs/dbraw/zinc/68/82/23/563688223.db2.gz JIRGTWLKTWNDAO-QAPCUYQASA-N 0 0 324.424 4.221 50 0 DIAARN CC[C@@H](C(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000045560362 563689360 /nfs/dbraw/zinc/68/93/60/563689360.db2.gz UGKMCCXXMCLKQA-GOSISDBHSA-N 0 0 317.392 4.276 50 0 DIAARN C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 ZINC000047906756 563692815 /nfs/dbraw/zinc/69/28/15/563692815.db2.gz PUKHSQYBHHTOKI-GFCCVEGCSA-N 0 0 320.339 4.213 50 0 DIAARN c1ccc2cc(OCCNc3ncnc4ccccc43)ccc2c1 ZINC000048234990 563693283 /nfs/dbraw/zinc/69/32/83/563693283.db2.gz KZCPPLUPSZMBIB-UHFFFAOYSA-N 0 0 315.376 4.274 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000048230444 563694195 /nfs/dbraw/zinc/69/41/95/563694195.db2.gz AWEGSVQLMQFKNE-SNVBAGLBSA-N 0 0 320.742 4.455 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)NCc3ccccc3)cc2)oc1C ZINC000048303578 563694873 /nfs/dbraw/zinc/69/48/73/563694873.db2.gz PNZPWQRRXFDTNK-UHFFFAOYSA-N 0 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ZINC000084410450 563826558 /nfs/dbraw/zinc/82/65/58/563826558.db2.gz RZLRXHKUKPNYLV-HNNXBMFYSA-N 0 0 312.442 4.240 50 0 DIAARN S=C(Nc1ccccc1)N[C@@H](c1ccco1)c1ccccc1 ZINC000084525056 563827386 /nfs/dbraw/zinc/82/73/86/563827386.db2.gz HQWNUCUPZZZCAM-QGZVFWFLSA-N 0 0 308.406 4.356 50 0 DIAARN O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1CCc1ccccc1 ZINC000084528452 563827704 /nfs/dbraw/zinc/82/77/04/563827704.db2.gz PNEPHRMAAHLCMZ-NRFANRHFSA-N 0 0 319.448 4.413 50 0 DIAARN CC(C)N(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000084597205 563828085 /nfs/dbraw/zinc/82/80/85/563828085.db2.gz XJFPMBZKYYMJES-UONOGXRCSA-N 0 0 311.347 4.208 50 0 DIAARN CC(C)N(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000084597207 563828104 /nfs/dbraw/zinc/82/81/04/563828104.db2.gz XJFPMBZKYYMJES-KBPBESRZSA-N 0 0 311.347 4.208 50 0 DIAARN CC(C)N(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000084597202 563828435 /nfs/dbraw/zinc/82/84/35/563828435.db2.gz XJFPMBZKYYMJES-ZIAGYGMSSA-N 0 0 311.347 4.208 50 0 DIAARN C[C@H](NC(=O)COc1cccc2ccccc21)c1cccs1 ZINC000012779339 563829639 /nfs/dbraw/zinc/82/96/39/563829639.db2.gz RURRBMJZWXVDMT-ZDUSSCGKSA-N 0 0 311.406 4.158 50 0 DIAARN C[C@H](CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000012776732 563829665 /nfs/dbraw/zinc/82/96/65/563829665.db2.gz JGQSWQXLDQMKHE-OAHLLOKOSA-N 0 0 317.392 4.276 50 0 DIAARN CCC[C@H]1CCCN(C(=O)c2csc(CC(C)C)n2)CC1 ZINC000084740764 563830840 /nfs/dbraw/zinc/83/08/40/563830840.db2.gz VYDSMNUKBRGBHE-AWEZNQCLSA-N 0 0 308.491 4.384 50 0 DIAARN C[C@H](Cc1ccoc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000084827376 563831351 /nfs/dbraw/zinc/83/13/51/563831351.db2.gz IEEBQOULZFLWJS-MRXNPFEDSA-N 0 0 319.404 4.159 50 0 DIAARN FC(F)(F)c1ccnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000074158119 563831414 /nfs/dbraw/zinc/83/14/14/563831414.db2.gz RETXJQZFRSZBLX-JGVFFNPUSA-N 0 0 313.245 4.028 50 0 DIAARN CC(C)c1nc(CS[C@@H](C)c2ncc(C(C)(C)C)o2)no1 ZINC000085228595 563834341 /nfs/dbraw/zinc/83/43/41/563834341.db2.gz WOIVFXXZXMGSRN-JTQLQIEISA-N 0 0 309.435 4.473 50 0 DIAARN CC(C)c1nc(CS[C@H](C)c2ncc(C(C)(C)C)o2)no1 ZINC000085228597 563834353 /nfs/dbraw/zinc/83/43/53/563834353.db2.gz WOIVFXXZXMGSRN-SNVBAGLBSA-N 0 0 309.435 4.473 50 0 DIAARN CCC[C@@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@H](CC)C3 ZINC000001459233 563836436 /nfs/dbraw/zinc/83/64/36/563836436.db2.gz HZIQAMGZUWSPHP-XHDPSFHLSA-N 0 0 318.486 4.419 50 0 DIAARN CC(C)Cc1ccc([C@H](C)NC(=O)c2ccnc(Cl)c2)cc1 ZINC000012813572 563836649 /nfs/dbraw/zinc/83/66/49/563836649.db2.gz RLSKKRBSVFSLDL-ZDUSSCGKSA-N 0 0 316.832 4.425 50 0 DIAARN CCC[C@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@H](CC)C3 ZINC000001459232 563836739 /nfs/dbraw/zinc/83/67/39/563836739.db2.gz HZIQAMGZUWSPHP-NHYWBVRUSA-N 0 0 318.486 4.419 50 0 DIAARN Cc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000012817537 563837373 /nfs/dbraw/zinc/83/73/73/563837373.db2.gz BQHMMPWNEANTAK-SNVBAGLBSA-N 0 0 324.211 4.136 50 0 DIAARN CC(C)Sc1nnc(-c2ccccc2O)n1-c1ccccc1 ZINC000012382833 563837458 /nfs/dbraw/zinc/83/74/58/563837458.db2.gz 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/nfs/dbraw/zinc/84/47/84/563844784.db2.gz YBYJPTVXMNGQNQ-UHFFFAOYSA-N 0 0 316.357 4.078 50 0 DIAARN Cc1c(NCc2nnc(C3CC3)o2)cccc1OC1CCCC1 ZINC000086206655 563844967 /nfs/dbraw/zinc/84/49/67/563844967.db2.gz MYMWMRPIIGBKCZ-UHFFFAOYSA-N 0 0 313.401 4.189 50 0 DIAARN O=C(Nc1cc(Cl)ncn1)Nc1cccc(Cl)c1Cl ZINC000000399407 563846053 /nfs/dbraw/zinc/84/60/53/563846053.db2.gz ANKPGRDEXBUNFT-UHFFFAOYSA-N 0 0 317.563 4.081 50 0 DIAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000001596312 563846755 /nfs/dbraw/zinc/84/67/55/563846755.db2.gz SUCZYFLKGVGAFM-UHFFFAOYSA-N 0 0 304.411 4.060 50 0 DIAARN COc1cc(C=O)ccc1OC(=O)Nc1c(C)cccc1Cl ZINC000002173758 563847196 /nfs/dbraw/zinc/84/71/96/563847196.db2.gz USMZSDHROYQKRW-UHFFFAOYSA-N 0 0 319.744 4.080 50 0 DIAARN O=C(Nc1nccs1)c1ccc(SC(F)(F)F)cc1 ZINC000012874058 563850495 /nfs/dbraw/zinc/85/04/95/563850495.db2.gz IENIUBBCYJJGCX-UHFFFAOYSA-N 0 0 304.318 4.007 50 0 DIAARN Cc1cccc([C@H]2CCCN2c2nc(-c3ccccc3)ns2)n1 ZINC000150929915 563852736 /nfs/dbraw/zinc/85/27/36/563852736.db2.gz RFGUFVZHXWRGFM-MRXNPFEDSA-N 0 0 322.437 4.250 50 0 DIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)c(F)c1 ZINC000012886767 563852838 /nfs/dbraw/zinc/85/28/38/563852838.db2.gz GMZNIJASPDDNPX-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1F ZINC000012907207 563853331 /nfs/dbraw/zinc/85/33/31/563853331.db2.gz ASFBUZBAQQVKNJ-CQSZACIVSA-N 0 0 323.339 4.071 50 0 DIAARN COc1ccccc1CCC(=O)Oc1cccc2ccccc21 ZINC000012909091 563853961 /nfs/dbraw/zinc/85/39/61/563853961.db2.gz WBRLNDBLMUEHOT-UHFFFAOYSA-N 0 0 306.361 4.387 50 0 DIAARN CCCOc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 ZINC000012920456 563854176 /nfs/dbraw/zinc/85/41/76/563854176.db2.gz PKNXSIVLRXFYSB-SMDDNHRTSA-N 0 0 316.426 4.193 50 0 DIAARN CCCOc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1 ZINC000012920462 563854340 /nfs/dbraw/zinc/85/43/40/563854340.db2.gz PKNXSIVLRXFYSB-FZMZJTMJSA-N 0 0 316.426 4.193 50 0 DIAARN CCCOc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 ZINC000012920471 563854444 /nfs/dbraw/zinc/85/44/44/563854444.db2.gz PKNXSIVLRXFYSB-RISCZKNCSA-N 0 0 316.426 4.193 50 0 DIAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)OCC(F)(F)F ZINC000575414275 563855996 /nfs/dbraw/zinc/85/59/96/563855996.db2.gz ZCBRFLFSXAUCIZ-JTQLQIEISA-N 0 0 313.385 4.072 50 0 DIAARN O=C(CCCCC1CCCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000001537834 563856079 /nfs/dbraw/zinc/85/60/79/563856079.db2.gz YTCGNPGLMAECND-UHFFFAOYSA-N 0 0 317.477 4.256 50 0 in-vitro DIAARN O=C(N[C@H](c1ccsc1)c1cccs1)[C@@H]1CC=CCC1 ZINC000575414675 563856599 /nfs/dbraw/zinc/85/65/99/563856599.db2.gz IJMGLNFIARXHNR-IUODEOHRSA-N 0 0 303.452 4.372 50 0 DIAARN C[C@@H](NC(=O)N([C@@H](C)c1cccnc1)C1CC1)c1ccccc1 ZINC000075094245 563859387 /nfs/dbraw/zinc/85/93/87/563859387.db2.gz XXYCWCRVTPWJSS-CABCVRRESA-N 0 0 309.413 4.078 50 0 DIAARN C[C@@H](C(=O)N(Cc1cccnc1)C1CC1)c1cc2ccccc2o1 ZINC000075093777 563859971 /nfs/dbraw/zinc/85/99/71/563859971.db2.gz CDYYGBPLJLUKMZ-CQSZACIVSA-N 0 0 320.392 4.123 50 0 DIAARN O=C(Nc1c(F)cccc1OCc1ccccc1)c1ccoc1 ZINC000075139525 563860837 /nfs/dbraw/zinc/86/08/37/563860837.db2.gz JYNDXLNGMUZYAQ-UHFFFAOYSA-N 0 0 311.312 4.250 50 0 DIAARN O=C([C@H]1CC=CCC1)N(Cc1ccsc1)Cc1ccco1 ZINC000075170174 563861224 /nfs/dbraw/zinc/86/12/24/563861224.db2.gz NLXXMDAVKRWAGQ-HNNXBMFYSA-N 0 0 301.411 4.226 50 0 DIAARN COc1ccc2ccnc(-c3nccc4ccc(OC)cc43)c2c1 ZINC000075260482 563862149 /nfs/dbraw/zinc/86/21/49/563862149.db2.gz XVFXIFTXZLETJT-UHFFFAOYSA-N 0 0 316.360 4.467 50 0 DIAARN Cc1ccc(NC(=O)C2CCCC2)cc1OC(=O)C1CCCC1 ZINC000075278660 563862327 /nfs/dbraw/zinc/86/23/27/563862327.db2.gz IMPWNPSKXUNSRG-UHFFFAOYSA-N 0 0 315.413 4.219 50 0 DIAARN c1sc(-c2ncnnc2-c2ccccc2)nc1-c1ccccc1 ZINC000075285988 563862705 /nfs/dbraw/zinc/86/27/05/563862705.db2.gz DYTCLFPLNGUZMA-UHFFFAOYSA-N 0 0 316.389 4.329 50 0 DIAARN CCOC(=O)c1c2cc(O)ccc2n(CC)c1-c1ccccc1 ZINC000075286391 563862817 /nfs/dbraw/zinc/86/28/17/563862817.db2.gz AHKZQNAREXWOAD-UHFFFAOYSA-N 0 0 309.365 4.211 50 0 DIAARN O=C(NCc1ccc(-c2ccco2)o1)c1c(F)cccc1Cl ZINC000575607980 563865359 /nfs/dbraw/zinc/86/53/59/563865359.db2.gz GTHRJZREZPHQJH-UHFFFAOYSA-N 0 0 319.719 4.262 50 0 DIAARN CC[C@H](C(=O)NCc1ccc(-c2ccco2)o1)c1ccccc1 ZINC000575609001 563865757 /nfs/dbraw/zinc/86/57/57/563865757.db2.gz MXUOYDLCCIIZLQ-INIZCTEOSA-N 0 0 309.365 4.350 50 0 DIAARN O=C(Nc1ccc(-c2ccncc2)nc1)c1cc2ccccc2o1 ZINC000575615273 563867210 /nfs/dbraw/zinc/86/72/10/563867210.db2.gz CVSBQUYYFFKEHQ-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN Cc1nn(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000035422266 563867316 /nfs/dbraw/zinc/86/73/16/563867316.db2.gz HQKBWMRCCNNGAR-UHFFFAOYSA-N 0 0 319.286 4.444 50 0 DIAARN CCn1cnc2cc(-c3noc(-c4ccc(C)c(F)c4)n3)ccc21 ZINC000035453541 563867711 /nfs/dbraw/zinc/86/77/11/563867711.db2.gz PEYNSWACOMJGDI-UHFFFAOYSA-N 0 0 322.343 4.221 50 0 DIAARN C[C@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccoc1 ZINC000575620387 563868288 /nfs/dbraw/zinc/86/82/88/563868288.db2.gz KHRYCZQTYUGDCW-KTRBRXNASA-N 0 0 311.406 4.255 50 0 DIAARN Cc1nc(C(C)C)ncc1C(=O)Nc1cccc(Cl)c1C ZINC000075436996 563871161 /nfs/dbraw/zinc/87/11/61/563871161.db2.gz DMOTXYLTSFZURT-UHFFFAOYSA-N 0 0 303.793 4.123 50 0 DIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)NCc1cccc(C)c1 ZINC000035536540 563872451 /nfs/dbraw/zinc/87/24/51/563872451.db2.gz VDGBSWXTYPSAAM-UHFFFAOYSA-N 0 0 324.355 4.028 50 0 DIAARN Cc1[nH]c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2c1C ZINC000012982525 563872887 /nfs/dbraw/zinc/87/28/87/563872887.db2.gz GDNCSYSFSRSTOP-CYBMUJFWSA-N 0 0 306.409 4.318 50 0 DIAARN Cc1nc2ccccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000012983422 563873444 /nfs/dbraw/zinc/87/34/44/563873444.db2.gz FITAIECHWYGQAU-UHFFFAOYSA-N 0 0 312.369 4.052 50 0 DIAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 ZINC000013004887 563875046 /nfs/dbraw/zinc/87/50/46/563875046.db2.gz INNBUMMWGMJGSG-HOTGVXAUSA-N 0 0 321.420 4.036 50 0 DIAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3O)ccc2c1 ZINC000013002764 563875063 /nfs/dbraw/zinc/87/50/63/563875063.db2.gz SJOBQNRZDDOYCA-ZDUSSCGKSA-N 0 0 321.376 4.296 50 0 DIAARN Clc1ccccc1-c1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000075467569 563875418 /nfs/dbraw/zinc/87/54/18/563875418.db2.gz XRGAEMTZJBTCSI-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN O=C1c2cccc3cccc(c23)N1CCCOc1ccc(F)cc1 ZINC000013007416 563875525 /nfs/dbraw/zinc/87/55/25/563875525.db2.gz HVXVDHYHBXOHIK-UHFFFAOYSA-N 0 0 321.351 4.408 50 0 DIAARN O=C(Cc1ccc2ccccc2c1)N[C@H]1CCc2ccccc21 ZINC000013021484 563876708 /nfs/dbraw/zinc/87/67/08/563876708.db2.gz ZJEBCCUBXCKLEW-FQEVSTJZSA-N 0 0 301.389 4.186 50 0 DIAARN O=C(Nc1cc(-c2ccsc2)no1)c1ccc2cc[nH]c2c1 ZINC000075488144 563877269 /nfs/dbraw/zinc/87/72/69/563877269.db2.gz SBKVJDOFPRPYOU-UHFFFAOYSA-N 0 0 309.350 4.137 50 0 DIAARN O=C(c1cnc2ccc(Cl)cc2c1Cl)N1CCCCC1 ZINC000075490540 563877325 /nfs/dbraw/zinc/87/73/25/563877325.db2.gz GODVFOOMQKMGIA-UHFFFAOYSA-N 0 0 309.196 4.168 50 0 DIAARN Cc1nc2cc(-c3noc(-c4cc5ccccc5[nH]4)n3)ccc2o1 ZINC000075488046 563877341 /nfs/dbraw/zinc/87/73/41/563877341.db2.gz KXTBADWUNRKRNX-UHFFFAOYSA-N 0 0 316.320 4.335 50 0 DIAARN CCn1ccc2ccc(CCC(=O)NCc3cccc(F)c3)cc21 ZINC000075509256 563878030 /nfs/dbraw/zinc/87/80/30/563878030.db2.gz BNSZXTHQHMXTLJ-UHFFFAOYSA-N 0 0 324.399 4.049 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1Sc1nc(C)cc(C)n1 ZINC000000391347 563879257 /nfs/dbraw/zinc/87/92/57/563879257.db2.gz AHACBDKJFCKMTO-UHFFFAOYSA-N 0 0 310.426 4.047 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001801458 563879266 /nfs/dbraw/zinc/87/92/66/563879266.db2.gz XEAJGDGCOCZWHI-UHFFFAOYSA-N 0 0 317.772 4.159 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1 ZINC000241383436 563880824 /nfs/dbraw/zinc/88/08/24/563880824.db2.gz MVJSMEHGNQNKDU-DFHBCGBQSA-N 0 0 310.397 4.380 50 0 DIAARN Cc1cccc(NC(=O)[C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000241466150 563880831 /nfs/dbraw/zinc/88/08/31/563880831.db2.gz NVDSQEUHZKENKS-BXWFABGCSA-N 0 0 308.425 4.015 50 0 DIAARN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1nc(-c2ccccc2)cs1 ZINC000241634645 563880847 /nfs/dbraw/zinc/88/08/47/563880847.db2.gz PNZSPJCUAAIPNT-UYHMYPTGSA-N 0 0 312.438 4.033 50 0 DIAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1C ZINC000241923285 563880925 /nfs/dbraw/zinc/88/09/25/563880925.db2.gz UERKSSQVRWAKMP-SCTDSRPQSA-N 0 0 308.425 4.099 50 0 DIAARN CC(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1 ZINC000089292086 563884436 /nfs/dbraw/zinc/88/44/36/563884436.db2.gz GMOWICOOAPFOEX-UHFFFAOYSA-N 0 0 307.802 4.175 50 0 DIAARN Cc1ccc2oc(-c3ccccc3)c/c(=N\C[C@@H]3CCCO3)c2c1 ZINC000001916581 563885617 /nfs/dbraw/zinc/88/56/17/563885617.db2.gz VLBQGFUEJQQIBW-XENKUQMPSA-N 0 0 319.404 4.488 50 0 DIAARN COc1cccc(=O)c2c(C)n(-c3cc(C)cc(C)c3)c(C)c21 ZINC000000312349 563886792 /nfs/dbraw/zinc/88/67/92/563886792.db2.gz DHHVRYYFVNHNCI-UHFFFAOYSA-N 0 0 307.393 4.233 50 0 biogenic DIAARN Cc1ccc2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCCCCO3)O2 ZINC000000138839 563886838 /nfs/dbraw/zinc/88/68/38/563886838.db2.gz ZSQKNCKYNCQYFS-LJQANCHMSA-N 0 0 324.376 4.253 50 0 biogenic DIAARN CC(=NNc1ccccc1Cl)c1cnnc(-c2ccccc2)n1 ZINC000252637598 563887903 /nfs/dbraw/zinc/88/79/03/563887903.db2.gz XUEZPVXZLQAUHP-UHFFFAOYSA-N 0 0 323.787 4.028 50 0 DIAARN CCCSc1nc2ccccc2c(=O)n1CC1CCCC1 ZINC000026947365 563888392 /nfs/dbraw/zinc/88/83/92/563888392.db2.gz LUUMKCOJCAUHMF-UHFFFAOYSA-N 0 0 302.443 4.089 50 0 DIAARN CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000029258289 563890901 /nfs/dbraw/zinc/89/09/01/563890901.db2.gz QEJMCFTVXVFLKU-LJQANCHMSA-N 0 0 304.393 4.318 50 0 DIAARN CO[C@@H](C)c1nc(CNc2c(F)cccc2Cl)cs1 ZINC000193104320 563914849 /nfs/dbraw/zinc/91/48/49/563914849.db2.gz KXFYCVKDCQEFIB-QMMMGPOBSA-N 0 0 300.786 4.255 50 0 DIAARN CCn1cnc2ccc(-c3noc(Cc4ccccc4C)n3)cc21 ZINC000064759518 563893484 /nfs/dbraw/zinc/89/34/84/563893484.db2.gz VMHZCPYZUQRUEV-UHFFFAOYSA-N 0 0 318.380 4.005 50 0 DIAARN Cc1ccccc1CO[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000036314897 563895037 /nfs/dbraw/zinc/89/50/37/563895037.db2.gz TZZCXNHKJFKGAU-IBGZPJMESA-N 0 0 323.436 4.125 50 0 DIAARN CC(C)(C)CC(=O)N1CCC[C@H](OCc2cccc(Cl)c2)C1 ZINC000036314844 563895103 /nfs/dbraw/zinc/89/51/03/563895103.db2.gz JDHYIWGDHJKORG-INIZCTEOSA-N 0 0 323.864 4.284 50 0 DIAARN CC(C)(C)CC(=O)N1CCC[C@@H](OCc2cccc(Cl)c2)C1 ZINC000036314845 563895207 /nfs/dbraw/zinc/89/52/07/563895207.db2.gz JDHYIWGDHJKORG-MRXNPFEDSA-N 0 0 323.864 4.284 50 0 DIAARN CC(=O)c1ccc(-c2cncc(C(=O)NC3CCCCC3)c2)cc1 ZINC000036348784 563895443 /nfs/dbraw/zinc/89/54/43/563895443.db2.gz LNOMLXREWRTHRF-UHFFFAOYSA-N 0 0 322.408 4.014 50 0 DIAARN Cc1ccc(C)c(-c2cncc(C(=O)NC3CCCCC3)c2)c1 ZINC000036346954 563895457 /nfs/dbraw/zinc/89/54/57/563895457.db2.gz SWWJZPAJOKZQTG-UHFFFAOYSA-N 0 0 308.425 4.428 50 0 DIAARN O=C1C[C@H](c2cccs2)c2sc(N3CCCCC3)nc2N1 ZINC000036366050 563896732 /nfs/dbraw/zinc/89/67/32/563896732.db2.gz MBAMQPNUCKSMNK-SNVBAGLBSA-N 0 0 319.455 4.319 50 0 DIAARN CC(C)(C)C1CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000006857310 563896920 /nfs/dbraw/zinc/89/69/20/563896920.db2.gz KWXQMHOVLRMRRC-VMBOVVBDSA-N 0 0 315.457 4.479 50 0 DIAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCC(C)C)C(C)C)c2c1 ZINC000006871565 563897571 /nfs/dbraw/zinc/89/75/71/563897571.db2.gz XYFRKRSGKHMAKR-HNNXBMFYSA-N 0 0 316.445 4.078 50 0 DIAARN CC[C@@H]1CN(C(=O)NCc2ccccc2)c2ccccc2S1 ZINC000006877057 563898021 /nfs/dbraw/zinc/89/80/21/563898021.db2.gz CCENZLGVWDCJOU-OAHLLOKOSA-N 0 0 312.438 4.287 50 0 DIAARN CC(=O)c1oc2ccccc2c1NC(=O)CSC1CCCC1 ZINC000006882232 563898310 /nfs/dbraw/zinc/89/83/10/563898310.db2.gz MGTPSRUNAIPWEQ-UHFFFAOYSA-N 0 0 317.410 4.250 50 0 DIAARN O=C(CCn1ccc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000036392864 563898452 /nfs/dbraw/zinc/89/84/52/563898452.db2.gz XRCWRYOSROOYAM-UHFFFAOYSA-N 0 0 322.452 4.116 50 0 DIAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnsc1Cl ZINC000036396282 563898713 /nfs/dbraw/zinc/89/87/13/563898713.db2.gz HKIUNROFLDYSJR-VIFPVBQESA-N 0 0 307.806 4.131 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 ZINC000036397691 563898779 /nfs/dbraw/zinc/89/87/79/563898779.db2.gz VJPSAHSZHDKNIL-UHFFFAOYSA-N 0 0 320.348 4.105 50 0 DIAARN CCn1c(C)c(C)c2cc(C(=O)NCc3cccc(F)c3)ccc21 ZINC000006912867 563899197 /nfs/dbraw/zinc/89/91/97/563899197.db2.gz NLQVFPKEJWQKQR-UHFFFAOYSA-N 0 0 324.399 4.347 50 0 DIAARN Cc1nc2cc(-c3noc(-c4ccc(C)c(F)c4)n3)ccc2o1 ZINC000065149688 563899664 /nfs/dbraw/zinc/89/96/64/563899664.db2.gz AESBSXQEVUSJAN-UHFFFAOYSA-N 0 0 309.300 4.301 50 0 DIAARN Fc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1F ZINC000065137097 563899791 /nfs/dbraw/zinc/89/97/91/563899791.db2.gz WJBKWSRTSPIXKK-UHFFFAOYSA-N 0 0 324.290 4.072 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000006932534 563899815 /nfs/dbraw/zinc/89/98/15/563899815.db2.gz FVRMEHSSXGOAGY-HZMBPMFUSA-N 0 0 300.229 4.231 50 0 DIAARN COc1ccc(-c2nc(NC(=O)C3CCCC3)sc2C)cc1 ZINC000006942502 563900139 /nfs/dbraw/zinc/90/01/39/563900139.db2.gz YKGNCNCLIBVZBG-UHFFFAOYSA-N 0 0 316.426 4.256 50 0 DIAARN Cc1ccc(C(=O)N2CCC(CCOc3ccccc3)CC2)cc1 ZINC000065180608 563900539 /nfs/dbraw/zinc/90/05/39/563900539.db2.gz FGBVOCDMGSDFNH-UHFFFAOYSA-N 0 0 323.436 4.316 50 0 DIAARN CCC(C)(C)C(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000065180557 563900646 /nfs/dbraw/zinc/90/06/46/563900646.db2.gz JKFIHXNUZCUJEZ-UHFFFAOYSA-N 0 0 303.446 4.130 50 0 DIAARN CCN(C(=O)c1noc2c1CCCCC2)c1cccc(Cl)c1 ZINC000007000073 563900952 /nfs/dbraw/zinc/90/09/52/563900952.db2.gz MBPXBMFPHJTRME-UHFFFAOYSA-N 0 0 318.804 4.264 50 0 DIAARN CCCn1cc(C(=O)Nc2ccc(OC)cc2C)c2cccnc21 ZINC000065216811 563900978 /nfs/dbraw/zinc/90/09/78/563900978.db2.gz MSZMQJGUZHTFTG-UHFFFAOYSA-N 0 0 323.396 4.016 50 0 DIAARN CCCn1cc(C(=O)Nc2ccccc2CC)c2cccnc21 ZINC000065216753 563900996 /nfs/dbraw/zinc/90/09/96/563900996.db2.gz FBSMPSBAJHSICW-UHFFFAOYSA-N 0 0 307.397 4.261 50 0 DIAARN COc1ccccc1-c1cc(-c2cc(Cl)ccc2O)[nH]n1 ZINC000013127549 563901448 /nfs/dbraw/zinc/90/14/48/563901448.db2.gz WWPSYSMSVZTOPY-UHFFFAOYSA-N 0 0 300.745 4.111 50 0 DIAARN CCc1ccc(CN(C)C(=O)c2cc(C)nc3ccccc32)cc1 ZINC000007062074 563902234 /nfs/dbraw/zinc/90/22/34/563902234.db2.gz ZHYLPRXKOGEJMV-UHFFFAOYSA-N 0 0 318.420 4.378 50 0 DIAARN Clc1snnc1CNc1ccccc1N1CCCCCC1 ZINC000170020527 563902738 /nfs/dbraw/zinc/90/27/38/563902738.db2.gz AOKIPICOAVMHQN-UHFFFAOYSA-N 0 0 322.865 4.184 50 0 DIAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)s1 ZINC000007112680 563902886 /nfs/dbraw/zinc/90/28/86/563902886.db2.gz MVJQQPPESQDFLD-QGZVFWFLSA-N 0 0 324.405 4.416 50 0 DIAARN c1c(CSc2cc(-c3ccccc3)ncn2)nc2ccccn12 ZINC000036709728 563903371 /nfs/dbraw/zinc/90/33/71/563903371.db2.gz ATZOQUVEHHBXPR-UHFFFAOYSA-N 0 0 318.405 4.084 50 0 DIAARN CCc1ccccc1NC(=O)CSCc1cccc(F)c1 ZINC000007146094 563903983 /nfs/dbraw/zinc/90/39/83/563903983.db2.gz NRKSNJBMGBQDRN-UHFFFAOYSA-N 0 0 303.402 4.260 50 0 DIAARN Cc1nn(C)c2ncc(N[C@@H](C)c3ccccc3Cl)cc12 ZINC000037084739 563905879 /nfs/dbraw/zinc/90/58/79/563905879.db2.gz PQCHMMSSLNTOGY-JTQLQIEISA-N 0 0 300.793 4.103 50 0 DIAARN c1ccc(-c2nc(SCc3nc4ccccc4s3)n[nH]2)cc1 ZINC000007471495 563906640 /nfs/dbraw/zinc/90/66/40/563906640.db2.gz YEBMUKNORUTBAG-UHFFFAOYSA-N 0 0 324.434 4.374 50 0 DIAARN Fc1ccccc1CCNc1ncnc2cc(Cl)ccc21 ZINC000170596915 563907184 /nfs/dbraw/zinc/90/71/84/563907184.db2.gz GMKGHRCXUNCJQP-UHFFFAOYSA-N 0 0 301.752 4.077 50 0 DIAARN CCC(CC)NC(=O)Nc1nc(-c2ccccc2Cl)co1 ZINC000170609590 563907690 /nfs/dbraw/zinc/90/76/90/563907690.db2.gz FSZKQTBDQGTWEF-UHFFFAOYSA-N 0 0 307.781 4.305 50 0 DIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2c(c1)C=CCC2 ZINC000170612256 563908148 /nfs/dbraw/zinc/90/81/48/563908148.db2.gz MAUYJSIGKICVPX-UHFFFAOYSA-N 0 0 317.344 4.005 50 0 DIAARN CC(C)C(=O)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 ZINC000170618138 563908433 /nfs/dbraw/zinc/90/84/33/563908433.db2.gz RTYGFROADHRFHU-AWEZNQCLSA-N 0 0 304.440 4.143 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000007547615 563908572 /nfs/dbraw/zinc/90/85/72/563908572.db2.gz CTTJIBHXEKHLJS-SFHVURJKSA-N 0 0 324.424 4.176 50 0 DIAARN CCS[C@@H]1CCCCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC000170625538 563908799 /nfs/dbraw/zinc/90/87/99/563908799.db2.gz KPUBCJJGCAHVBM-OWCLPIDISA-N 0 0 309.519 4.359 50 0 DIAARN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)nc1 ZINC000010056582 563909280 /nfs/dbraw/zinc/90/92/80/563909280.db2.gz JBWSLKQUXRGGHI-UHFFFAOYSA-N 0 0 311.772 4.152 50 0 DIAARN COc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000010219226 563909361 /nfs/dbraw/zinc/90/93/61/563909361.db2.gz LPYYSIUOJJRHPL-UHFFFAOYSA-N 0 0 301.411 4.043 50 0 DIAARN Cc1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)cc1F ZINC000013320198 563909438 /nfs/dbraw/zinc/90/94/38/563909438.db2.gz MWJQUJARDRLHGT-AWEZNQCLSA-N 0 0 300.377 4.277 50 0 DIAARN CSc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000013701207 563909854 /nfs/dbraw/zinc/90/98/54/563909854.db2.gz GDNUFMOFODZYRI-UHFFFAOYSA-N 0 0 323.421 4.155 50 0 DIAARN O=C(NCCC1=CCCCC1)Nc1ccccc1Br ZINC000013746053 563909916 /nfs/dbraw/zinc/90/99/16/563909916.db2.gz AASYFYWNKDIQMJ-UHFFFAOYSA-N 0 0 323.234 4.461 50 0 DIAARN Cc1cc(NC(=O)c2cc(Cl)sc2Cl)n(C(C)C)n1 ZINC000013656920 563909924 /nfs/dbraw/zinc/90/99/24/563909924.db2.gz PFUKYPUIVNFBMN-UHFFFAOYSA-N 0 0 318.229 4.393 50 0 DIAARN Cc1cccc(CC(=O)NCC2(c3cccs3)CCCC2)c1 ZINC000013803179 563910011 /nfs/dbraw/zinc/91/00/11/563910011.db2.gz FQBIDZHJZMGNLX-UHFFFAOYSA-N 0 0 313.466 4.227 50 0 DIAARN C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1cccnc1 ZINC000013744313 563910105 /nfs/dbraw/zinc/91/01/05/563910105.db2.gz YSTNUDBESOXSGV-VIFPVBQESA-N 0 0 310.184 4.271 50 0 DIAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3nccs3)c2C1 ZINC000014461903 563910546 /nfs/dbraw/zinc/91/05/46/563910546.db2.gz INEJHAFQSOILJA-LLVKDONJSA-N 0 0 323.421 4.068 50 0 DIAARN Cc1cc(N2CCC(C(=O)c3ccccc3)CC2)nc(C(C)C)n1 ZINC000014315347 563910643 /nfs/dbraw/zinc/91/06/43/563910643.db2.gz ZSBNRDOOKWJFJH-UHFFFAOYSA-N 0 0 323.440 4.008 50 0 DIAARN Clc1ccc(CN(Cc2cnoc2C2CC2)C2CC2)cc1 ZINC000089787573 563911292 /nfs/dbraw/zinc/91/12/92/563911292.db2.gz KOWCVWGWPKOUOX-UHFFFAOYSA-N 0 0 302.805 4.370 50 0 DIAARN O=C(Nc1cccc(-c2ncco2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000089779612 563911307 /nfs/dbraw/zinc/91/13/07/563911307.db2.gz COOIFZPGRLEHMY-SJORKVTESA-N 0 0 322.339 4.223 50 0 DIAARN S=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)NC1CC1 ZINC000089827615 563911485 /nfs/dbraw/zinc/91/14/85/563911485.db2.gz KLDVMNORUUGUIR-SFHVURJKSA-N 0 0 322.433 4.149 50 0 DIAARN COc1cccc(F)c1[C@H](C)Nc1ccc(OC(F)F)cn1 ZINC000089904508 563911903 /nfs/dbraw/zinc/91/19/03/563911903.db2.gz MVJGFLOZKHKCMU-VIFPVBQESA-N 0 0 312.291 4.004 50 0 DIAARN C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)c2ccccc2S1 ZINC000089930057 563912423 /nfs/dbraw/zinc/91/24/23/563912423.db2.gz VFXQWPRZKKMJAO-NSHDSACASA-N 0 0 314.410 4.083 50 0 DIAARN C[C@@H](Nc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 ZINC000028907734 563912964 /nfs/dbraw/zinc/91/29/64/563912964.db2.gz PXFNPIAYHXYQAB-CYBMUJFWSA-N 0 0 306.837 4.147 50 0 DIAARN Cc1cccc(OCCCC(=O)N2CCCc3ccccc32)c1C ZINC000001786416 563912968 /nfs/dbraw/zinc/91/29/68/563912968.db2.gz RNUJXQFMJXYPKA-UHFFFAOYSA-N 0 0 323.436 4.442 50 0 DIAARN CC(C)[C@H](CCNC(=O)c1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000002098617 563913835 /nfs/dbraw/zinc/91/38/35/563913835.db2.gz MFCOUHMZEYYAKV-GJZGRUSLSA-N 0 0 323.502 4.345 50 0 biogenic DIAARN CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccncc1 ZINC000002509231 563913958 /nfs/dbraw/zinc/91/39/58/563913958.db2.gz CHFMRUPUDYJYLU-RMKNXTFCSA-N 0 0 322.437 4.166 50 0 DIAARN OC[C@@H](CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000000395217 563915498 /nfs/dbraw/zinc/91/54/98/563915498.db2.gz WGBUYPUFZUPNQF-OAHLLOKOSA-N 0 0 304.393 4.358 50 0 in-vitro DIAARN CCCOC(=O)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002141081 563915602 /nfs/dbraw/zinc/91/56/02/563915602.db2.gz JOHOLEXEIBLGFF-UHFFFAOYSA-N 0 0 305.161 4.004 50 0 DIAARN CCCCOC(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002141082 563915705 /nfs/dbraw/zinc/91/57/05/563915705.db2.gz CCVGMZIWPJGOIG-UHFFFAOYSA-N 0 0 305.161 4.052 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(C)c1 ZINC000252480026 563915773 /nfs/dbraw/zinc/91/57/73/563915773.db2.gz BSKYDEOFMGNVCU-UHFFFAOYSA-N 0 0 323.396 4.222 50 0 DIAARN CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)no1 ZINC000252493110 563916167 /nfs/dbraw/zinc/91/61/67/563916167.db2.gz MZJFTWXPPSHRAJ-ZBFHGGJFSA-N 0 0 312.413 4.206 50 0 DIAARN CC[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1Br ZINC000252512028 563916521 /nfs/dbraw/zinc/91/65/21/563916521.db2.gz LOYGNZRXGUBQLO-IDTSFGKNSA-N 0 0 322.246 4.063 50 0 DIAARN FC(F)(F)C1CCC(CNc2nc(C3CC3)ns2)CC1 ZINC000170654192 563917191 /nfs/dbraw/zinc/91/71/91/563917191.db2.gz UNWRLTBTZHUPFC-UHFFFAOYSA-N 0 0 305.369 4.196 50 0 DIAARN COc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1 ZINC000007641241 563917660 /nfs/dbraw/zinc/91/76/60/563917660.db2.gz RQFPDBYOUMWXDR-ZDUSSCGKSA-N 0 0 314.410 4.114 50 0 DIAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/C=C/c1ccco1 ZINC000065844709 563917671 /nfs/dbraw/zinc/91/76/71/563917671.db2.gz GABUVDOJNOGJCP-SJBOZLQKSA-N 0 0 324.767 4.143 50 0 DIAARN CC(=O)c1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000007656252 563917678 /nfs/dbraw/zinc/91/76/78/563917678.db2.gz CUTSNGYNQMHVJK-UHFFFAOYSA-N 0 0 304.345 4.191 50 0 DIAARN Cc1ccc(OCCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000007670202 563917869 /nfs/dbraw/zinc/91/78/69/563917869.db2.gz BLJDSWVJBSCCIX-UHFFFAOYSA-N 0 0 303.789 4.364 50 0 DIAARN Fc1ccccc1[C@H]1c2cccn2CCCN1Cc1ccncc1 ZINC000037522623 563918195 /nfs/dbraw/zinc/91/81/95/563918195.db2.gz HNAGMIDHKXGBID-FQEVSTJZSA-N 0 0 321.399 4.018 50 0 DIAARN Cc1cccc2sc(NC(=O)C3(c4ccccc4)CC3)nc21 ZINC000007725087 563918279 /nfs/dbraw/zinc/91/82/79/563918279.db2.gz KFTXUBCILIQWFC-UHFFFAOYSA-N 0 0 308.406 4.275 50 0 DIAARN Cc1cc2c(cc(C(=O)N3CCCC3)n2Cc2ccccc2)s1 ZINC000037526077 563918290 /nfs/dbraw/zinc/91/82/90/563918290.db2.gz GIKQDOXEZCZBND-UHFFFAOYSA-N 0 0 324.449 4.296 50 0 DIAARN COc1ccccc1[C@H]1c2cccn2CCCN1CCC(C)C ZINC000037522253 563918393 /nfs/dbraw/zinc/91/83/93/563918393.db2.gz PNVSPQWVYKECBD-FQEVSTJZSA-N 0 0 312.457 4.338 50 0 DIAARN O=C(CCc1ccco1)N(Cc1ccccc1)c1ccccc1 ZINC000007735545 563918530 /nfs/dbraw/zinc/91/85/30/563918530.db2.gz GYOUXLGMXXZXKN-UHFFFAOYSA-N 0 0 305.377 4.446 50 0 DIAARN Cc1ccsc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000007778295 563919155 /nfs/dbraw/zinc/91/91/55/563919155.db2.gz XDKQGYGSZARVMI-UHFFFAOYSA-N 0 0 315.394 4.350 50 0 DIAARN Cc1ccc(C)c([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 ZINC000007785789 563919253 /nfs/dbraw/zinc/91/92/53/563919253.db2.gz BLFUDQBPMQQOBE-ROUUACIJSA-N 0 0 304.397 4.041 50 0 DIAARN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000007792206 563919445 /nfs/dbraw/zinc/91/94/45/563919445.db2.gz FRRMATBFPFWQKB-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN C[C@@H](NCc1nnc(C2CC2)o1)c1cc2cc(Cl)ccc2o1 ZINC000195561421 563919792 /nfs/dbraw/zinc/91/97/92/563919792.db2.gz DNCLKBDGZSVGHP-SECBINFHSA-N 0 0 317.776 4.197 50 0 DIAARN Cc1ccccc1CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000195559020 563919799 /nfs/dbraw/zinc/91/97/99/563919799.db2.gz KZAYLHKZQHUFOG-FQEVSTJZSA-N 0 0 307.846 4.139 50 0 DIAARN C[C@H](Sc1nccn1C1CC1)c1nc(-c2ccccc2)no1 ZINC000054783672 563920434 /nfs/dbraw/zinc/92/04/34/563920434.db2.gz LUHDYQSSTDREFI-NSHDSACASA-N 0 0 312.398 4.121 50 0 DIAARN CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1 ZINC000001934229 563920508 /nfs/dbraw/zinc/92/05/08/563920508.db2.gz SCFXKHRAOZKBFC-OUKQBFOZSA-N 0 0 323.392 4.005 50 0 DIAARN O=C(NCc1ccco1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000007910841 563920637 /nfs/dbraw/zinc/92/06/37/563920637.db2.gz SVTWZLBSWIESIY-UHFFFAOYSA-N 0 0 318.332 4.018 50 0 DIAARN O=C1OC(c2cccs2)=N/C1=C\c1ccc2ccccc2c1 ZINC000002268978 563920976 /nfs/dbraw/zinc/92/09/76/563920976.db2.gz DEQRODOOCYPNQV-PTNGSMBKSA-N 0 0 305.358 4.246 50 0 DIAARN CCCCN1C(=O)N(c2ccccc2Cl)[C@@](C)(O)CC1(C)C ZINC000002272312 563921147 /nfs/dbraw/zinc/92/11/47/563921147.db2.gz MFMFJCMBQSSMDO-KRWDZBQOSA-N 0 0 324.852 4.259 50 0 DIAARN Clc1ccc(-n2cnc3c2ncnc3Nc2ccccc2)cc1 ZINC000019926116 563923704 /nfs/dbraw/zinc/92/37/04/563923704.db2.gz FTZNBQQMZMSNES-UHFFFAOYSA-N 0 0 321.771 4.213 50 0 DIAARN Cc1nc(NC(=O)NC(C)(C)C)sc1Cc1ccc(F)cc1 ZINC000253426109 563925168 /nfs/dbraw/zinc/92/51/68/563925168.db2.gz YBIIEPOTJDQDCD-UHFFFAOYSA-N 0 0 321.421 4.101 50 0 DIAARN Fc1cccc(C[C@H](NCc2ccno2)c2cccc(F)c2)c1 ZINC000253417883 563925227 /nfs/dbraw/zinc/92/52/27/563925227.db2.gz IHLNPHLHIKWCIF-SFHVURJKSA-N 0 0 314.335 4.026 50 0 DIAARN CC[C@H]1C[C@H](CC(=O)Nc2ncccc2-c2ccccc2)CCO1 ZINC000253426247 563925418 /nfs/dbraw/zinc/92/54/18/563925418.db2.gz MAXJUDFQHNHLQU-WBVHZDCISA-N 0 0 324.424 4.282 50 0 DIAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1cccs1 ZINC000253472620 563926482 /nfs/dbraw/zinc/92/64/82/563926482.db2.gz NXNRKYCTKCMQBW-NSHDSACASA-N 0 0 300.383 4.247 50 0 DIAARN COc1cccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)c1 ZINC000012909347 563927263 /nfs/dbraw/zinc/92/72/63/563927263.db2.gz PDTRXXZZLIYHGN-FNORWQNLSA-N 0 0 316.784 4.078 50 0 DIAARN CC(=O)Nc1cc2nc(-c3ccccc3Cl)oc2c(C)c1 ZINC000585655913 563927547 /nfs/dbraw/zinc/92/75/47/563927547.db2.gz PPAGULQUJVRATD-UHFFFAOYSA-N 0 0 300.745 4.415 50 0 DIAARN O=C(c1ccc(-c2ccco2)cc1)N1CCc2ccccc2C1 ZINC000028048616 563928573 /nfs/dbraw/zinc/92/85/73/563928573.db2.gz SOXLZEJHRDQNIV-UHFFFAOYSA-N 0 0 303.361 4.145 50 0 DIAARN c1ccc(-c2nc3ccccc3c(N3CCCCCC3)n2)nc1 ZINC000002437654 563928689 /nfs/dbraw/zinc/92/86/89/563928689.db2.gz GDFHWMRKPNTHRO-UHFFFAOYSA-N 0 0 304.397 4.072 50 0 DIAARN Brc1cccc(CN2C=C[C@H](c3ccccc3)O2)c1 ZINC000012959702 563929104 /nfs/dbraw/zinc/92/91/04/563929104.db2.gz YTKUIVXCANZHMN-MRXNPFEDSA-N 0 0 316.198 4.451 50 0 DIAARN CC(=O)c1ccccc1NC(=O)CNc1cccc2ccccc21 ZINC000007955421 563929543 /nfs/dbraw/zinc/92/95/43/563929543.db2.gz TYHIOQQAQXUTLT-UHFFFAOYSA-N 0 0 318.376 4.093 50 0 DIAARN O=[S@@](Cc1csc(-c2ccco2)n1)CC1CCCCC1 ZINC000078602608 563929769 /nfs/dbraw/zinc/92/97/69/563929769.db2.gz KKHXHXHXUAHJSP-FQEVSTJZSA-N 0 0 309.456 4.232 50 0 DIAARN CCSCc1ccc(C(=O)Nc2cccnc2Cl)cc1 ZINC000079431884 563930547 /nfs/dbraw/zinc/93/05/47/563930547.db2.gz JYMKKZUMMBYUQO-UHFFFAOYSA-N 0 0 306.818 4.240 50 0 DIAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000390829883 563930740 /nfs/dbraw/zinc/93/07/40/563930740.db2.gz HGMRGRMZRNKITG-MRXNPFEDSA-N 0 0 323.477 4.281 50 0 DIAARN CCc1nnc2c3ccccc3nc(Nc3cccc(C)c3C)n12 ZINC000020178030 563930874 /nfs/dbraw/zinc/93/08/74/563930874.db2.gz WBOPJWMVVYEIGA-UHFFFAOYSA-N 0 0 317.396 4.200 50 0 DIAARN CC(C)Oc1ccc(Cc2cc(-c3ccccc3)n[nH]c2=O)cc1 ZINC000095477145 563931560 /nfs/dbraw/zinc/93/15/60/563931560.db2.gz MPJSUAJWAAZGKX-UHFFFAOYSA-N 0 0 320.392 4.227 50 0 DIAARN Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000095942304 563931927 /nfs/dbraw/zinc/93/19/27/563931927.db2.gz WCXUJDUXMGBZEZ-WFASDCNBSA-N 0 0 313.401 4.350 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@H]1C ZINC000021050890 563932038 /nfs/dbraw/zinc/93/20/38/563932038.db2.gz OUGLHEZXCSMKPW-GFCCVEGCSA-N 0 0 303.793 4.059 50 0 DIAARN O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC=CCC1 ZINC000095947923 563932078 /nfs/dbraw/zinc/93/20/78/563932078.db2.gz DYPHUOIRNXXCII-KSSFIOAISA-N 0 0 311.356 4.210 50 0 DIAARN Fc1cc(CNc2ccc(-c3ccccn3)cn2)cc(F)c1F ZINC000095945591 563932081 /nfs/dbraw/zinc/93/20/81/563932081.db2.gz CFXOVEYSVWTZEU-UHFFFAOYSA-N 0 0 315.298 4.173 50 0 DIAARN CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095945229 563932143 /nfs/dbraw/zinc/93/21/43/563932143.db2.gz RMPWUAWGSDGYIB-OAHLLOKOSA-N 0 0 322.792 4.238 50 0 DIAARN O=C(NCc1csc2ccccc12)N[C@H]1C[C@@H]1c1ccccc1 ZINC000095955041 563932404 /nfs/dbraw/zinc/93/24/04/563932404.db2.gz GKLOYYLFCVYAKR-SJORKVTESA-N 0 0 322.433 4.257 50 0 DIAARN C[C@H](C(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccs1 ZINC000095961555 563932504 /nfs/dbraw/zinc/93/25/04/563932504.db2.gz DVGUAYHSWVYBJY-FZMZJTMJSA-N 0 0 305.830 4.479 50 0 DIAARN CC[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1 ZINC000095962276 563932559 /nfs/dbraw/zinc/93/25/59/563932559.db2.gz JGSYREFVTCIGOK-AWEZNQCLSA-N 0 0 305.328 4.292 50 0 DIAARN CC1(OC(=O)c2csc(Cc3ccccc3F)n2)CCCC1 ZINC000095965261 563932740 /nfs/dbraw/zinc/93/27/40/563932740.db2.gz UVTJRTYVXNBBCJ-UHFFFAOYSA-N 0 0 319.401 4.363 50 0 DIAARN C[C@H](NCc1ccccc1Sc1ccccc1)c1cnccn1 ZINC000095967816 563933089 /nfs/dbraw/zinc/93/30/89/563933089.db2.gz CERGTOGEVREICM-HNNXBMFYSA-N 0 0 321.449 4.479 50 0 DIAARN CCc1noc(CC)c1CN[C@H](C)c1c(C)nn(C(C)C)c1C ZINC000095969160 563933489 /nfs/dbraw/zinc/93/34/89/563933489.db2.gz SBCFPMDTBLBFME-GFCCVEGCSA-N 0 0 318.465 4.044 50 0 DIAARN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000095978536 563933593 /nfs/dbraw/zinc/93/35/93/563933593.db2.gz UJJDCQDBMRVRGZ-CRAIPNDOSA-N 0 0 315.457 4.067 50 0 DIAARN O=C(OCc1ccccc1Cl)c1csc([C@H]2CCCO2)n1 ZINC000095975286 563933684 /nfs/dbraw/zinc/93/36/84/563933684.db2.gz GLQMWPZBQVGUJS-CYBMUJFWSA-N 0 0 323.801 4.005 50 0 DIAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ncc(F)cn1 ZINC000095972389 563933754 /nfs/dbraw/zinc/93/37/54/563933754.db2.gz VEYRNQPCJCJMAF-LLVKDONJSA-N 0 0 314.389 4.221 50 0 DIAARN c1sc(C2CC2)nc1CSCc1noc2c1CCCC2 ZINC000095976126 563933760 /nfs/dbraw/zinc/93/37/60/563933760.db2.gz WWSKYHYTQPYIJA-UHFFFAOYSA-N 0 0 306.456 4.321 50 0 DIAARN CC(C)c1cccc(CSCC(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC000095980004 563933977 /nfs/dbraw/zinc/93/39/77/563933977.db2.gz BVRWMKWMKWINPY-GASCZTMLSA-N 0 0 320.502 4.228 50 0 DIAARN CCNc1ccc(Cl)cc1NC(=O)c1ccncc1Cl ZINC000095995419 563934484 /nfs/dbraw/zinc/93/44/84/563934484.db2.gz ZAXGHEKEYRLLEA-UHFFFAOYSA-N 0 0 310.184 4.073 50 0 DIAARN CC1(C)CCN(C(=O)CSc2ccccc2)c2ccccc21 ZINC000096100831 563935292 /nfs/dbraw/zinc/93/52/92/563935292.db2.gz LFWPTOYYAZKSOJ-UHFFFAOYSA-N 0 0 311.450 4.493 50 0 DIAARN O=C(c1cccc(Oc2ccccn2)c1)N1CCc2ccccc21 ZINC000096122690 563935601 /nfs/dbraw/zinc/93/56/01/563935601.db2.gz NFBUPPKTQRKCDI-UHFFFAOYSA-N 0 0 316.360 4.077 50 0 DIAARN CC[C@](CNC(=O)c1ccccc1Cl)(OC)c1ccccc1 ZINC000096123693 563935621 /nfs/dbraw/zinc/93/56/21/563935621.db2.gz LRVGYOXMTTWKBD-GOSISDBHSA-N 0 0 317.816 4.022 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCc2cc3ccccc3[nH]2)o1 ZINC000096187970 563935817 /nfs/dbraw/zinc/93/58/17/563935817.db2.gz DLUZKVUOZYMCDQ-QDBPKORMSA-N 0 0 320.392 4.214 50 0 DIAARN Cc1nc(C(C)C)c(C(=O)Nc2cccc3ncccc32)s1 ZINC000096231654 563936056 /nfs/dbraw/zinc/93/60/56/563936056.db2.gz ITQSMHMTANEAEU-UHFFFAOYSA-N 0 0 311.410 4.375 50 0 DIAARN Cc1csc(NC(=O)c2ccc(C3SCCS3)cc2)n1 ZINC000007968943 563936336 /nfs/dbraw/zinc/93/63/36/563936336.db2.gz LQYLUPWMASMPBF-UHFFFAOYSA-N 0 0 322.480 4.182 50 0 DIAARN COc1cc(NC(=O)CCCC2CCCCC2)cc(OC)c1 ZINC000007969670 563936525 /nfs/dbraw/zinc/93/65/25/563936525.db2.gz OEDFFKBFAWBVOG-UHFFFAOYSA-N 0 0 305.418 4.393 50 0 DIAARN O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000096410518 563936836 /nfs/dbraw/zinc/93/68/36/563936836.db2.gz SEJVVYVOLYCSMA-RBUKOAKNSA-N 0 0 321.424 4.178 50 0 DIAARN CC[C@@H](C)Oc1cccc(NC(=O)N2CC[C@@H](CSC)C2)c1 ZINC000096418015 563937000 /nfs/dbraw/zinc/93/70/00/563937000.db2.gz HDMZHXMDMZJHTA-ZIAGYGMSSA-N 0 0 322.474 4.081 50 0 DIAARN CN(Cc1ncc(-c2ccccc2)o1)Cc1ccc(Cl)nc1 ZINC000096444943 563937013 /nfs/dbraw/zinc/93/70/13/563937013.db2.gz GZYQQBAMRVAPJK-UHFFFAOYSA-N 0 0 313.788 4.022 50 0 DIAARN Cc1nnc([C@@H](C)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)o1 ZINC000096437212 563937073 /nfs/dbraw/zinc/93/70/73/563937073.db2.gz QWDRJRIZWRCZNI-CYBMUJFWSA-N 0 0 324.384 4.355 50 0 DIAARN C[C@H](NC(=S)NC1CCCCC1)c1cc2ccccc2o1 ZINC000007970150 563937232 /nfs/dbraw/zinc/93/72/32/563937232.db2.gz ADPQNOKWEVBEIC-LBPRGKRZSA-N 0 0 302.443 4.291 50 0 DIAARN Cc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000096482804 563937361 /nfs/dbraw/zinc/93/73/61/563937361.db2.gz WXOIIKAZRWCHST-UHFFFAOYSA-N 0 0 322.452 4.162 50 0 DIAARN C[C@@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1cccs1 ZINC000096478029 563937476 /nfs/dbraw/zinc/93/74/76/563937476.db2.gz FSLPSEPLOUOABO-FZMZJTMJSA-N 0 0 314.376 4.010 50 0 DIAARN COc1ccc(CNc2ccc3nc(C4CC4)oc3c2)cc1O ZINC000096482949 563937515 /nfs/dbraw/zinc/93/75/15/563937515.db2.gz UQQZUUQEHMFORU-UHFFFAOYSA-N 0 0 310.353 4.032 50 0 DIAARN CN(C(=O)c1cccc(NCc2cncs2)c1)c1ccccc1 ZINC000097050860 563937581 /nfs/dbraw/zinc/93/75/81/563937581.db2.gz NSMMJSCLRAXYIP-UHFFFAOYSA-N 0 0 323.421 4.032 50 0 DIAARN O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1cccc(CO)c1 ZINC000096585475 563937710 /nfs/dbraw/zinc/93/77/10/563937710.db2.gz YOIWVGCCMNWINA-ALCCZGGFSA-N 0 0 322.191 4.138 50 0 DIAARN FC(F)c1nnc(NCc2cccc(-c3cccnc3)c2)s1 ZINC000097115608 563937756 /nfs/dbraw/zinc/93/77/56/563937756.db2.gz JRTXRQDCDAZSKY-UHFFFAOYSA-N 0 0 318.352 4.150 50 0 DIAARN Cc1cccc(NC(=O)c2ccc(COc3ccccc3C)o2)n1 ZINC000027972603 563938165 /nfs/dbraw/zinc/93/81/65/563938165.db2.gz JFSCPQAOTKIFJW-UHFFFAOYSA-N 0 0 322.364 4.123 50 0 DIAARN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000055447334 563938179 /nfs/dbraw/zinc/93/81/79/563938179.db2.gz WFUIYIUJIBJPJN-CYBMUJFWSA-N 0 0 306.818 4.082 50 0 DIAARN O=C(CSc1ccc2ccccc2n1)Nc1ccccc1F ZINC000002502417 563938213 /nfs/dbraw/zinc/93/82/13/563938213.db2.gz ADNYYTYQRVFKET-UHFFFAOYSA-N 0 0 312.369 4.105 50 0 DIAARN Cc1nc2ccccc2c(SCCOc2ccc(F)cc2)n1 ZINC000002503978 563938255 /nfs/dbraw/zinc/93/82/55/563938255.db2.gz IBFQURMLTBGWAI-UHFFFAOYSA-N 0 0 314.385 4.248 50 0 DIAARN Cc1cccc(NC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c1 ZINC000028226243 563938982 /nfs/dbraw/zinc/93/89/82/563938982.db2.gz GIQMFAVEPYXKSG-UHFFFAOYSA-N 0 0 324.359 4.023 50 0 DIAARN COc1ccc(CSc2nnc(-c3cccs3)o2)cc1F ZINC000002622774 563939499 /nfs/dbraw/zinc/93/94/99/563939499.db2.gz APZHGYZATVTUCK-UHFFFAOYSA-N 0 0 322.386 4.238 50 0 DIAARN CCSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 ZINC000002626120 563939705 /nfs/dbraw/zinc/93/97/05/563939705.db2.gz BXOSWVNXKLLIHX-CYBMUJFWSA-N 0 0 310.422 4.118 50 0 DIAARN CC(C)(C)C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002632163 563939739 /nfs/dbraw/zinc/93/97/39/563939739.db2.gz PFGJSVRGDUQZME-UHFFFAOYSA-N 0 0 324.376 4.083 50 0 DIAARN Cc1csc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000002625480 563939806 /nfs/dbraw/zinc/93/98/06/563939806.db2.gz IPNRVDFOJVDBNN-SECBINFHSA-N 0 0 312.847 4.224 50 0 DIAARN Cc1cc2oc(=O)cc(CN3CCCc4ccccc43)c2cc1C ZINC000002634123 563939868 /nfs/dbraw/zinc/93/98/68/563939868.db2.gz MQKIRNXRGRXPMV-UHFFFAOYSA-N 0 0 319.404 4.363 50 0 aggregator DIAARN CC(C)(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000002643013 563939934 /nfs/dbraw/zinc/93/99/34/563939934.db2.gz POHUEURPUCKFTO-UHFFFAOYSA-N 0 0 324.140 4.453 50 0 DIAARN COc1cc2ccccc2cc1C(=O)OCc1ccccc1F ZINC000002634754 563939943 /nfs/dbraw/zinc/93/99/43/563939943.db2.gz YJZUQTQYARMIIT-UHFFFAOYSA-N 0 0 310.324 4.345 50 0 DIAARN CC1CCN(C(=O)COc2ccc(Nc3ccccc3)cc2)CC1 ZINC000002634814 563939961 /nfs/dbraw/zinc/93/99/61/563939961.db2.gz JQGSJBZLQLWADQ-UHFFFAOYSA-N 0 0 324.424 4.068 50 0 DIAARN CC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000002650660 563940125 /nfs/dbraw/zinc/94/01/25/563940125.db2.gz WWDALEHVGSKTJW-UHFFFAOYSA-N 0 0 313.784 4.213 50 0 DIAARN CCOc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O ZINC000002673970 563940214 /nfs/dbraw/zinc/94/02/14/563940214.db2.gz YFCQDYWCKNCIBJ-UHFFFAOYSA-N 0 0 310.349 4.176 50 0 biogenic DIAARN Cc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)cc1 ZINC000002661139 563940291 /nfs/dbraw/zinc/94/02/91/563940291.db2.gz GDXUPLDLMWWREH-CQSZACIVSA-N 0 0 300.427 4.074 50 0 DIAARN Cc1cc(C)cc(C(=O)NCCSc2c[nH]c3ccccc23)c1 ZINC000002721010 563940442 /nfs/dbraw/zinc/94/04/42/563940442.db2.gz HOSVSHNNNVJVLK-UHFFFAOYSA-N 0 0 324.449 4.307 50 0 DIAARN CCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000002752684 563940619 /nfs/dbraw/zinc/94/06/19/563940619.db2.gz QAMJDZVGVYEHHC-UHFFFAOYSA-N 0 0 315.413 4.296 50 0 DIAARN Cc1cc(OCc2ccc(C(=O)N3CCCC3)o2)ccc1Cl ZINC000002763835 563940718 /nfs/dbraw/zinc/94/07/18/563940718.db2.gz BPNTXXCSVQNIPT-UHFFFAOYSA-N 0 0 319.788 4.056 50 0 DIAARN Cc1cc(C)cc(N[C@H](C)C(=O)NCCC2=CCCCC2)c1 ZINC000028874696 563940922 /nfs/dbraw/zinc/94/09/22/563940922.db2.gz QXJJXNAKKHFZQY-MRXNPFEDSA-N 0 0 300.446 4.111 50 0 DIAARN Cc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1C ZINC000002919766 563941023 /nfs/dbraw/zinc/94/10/23/563941023.db2.gz IWESXAMWELZRNZ-RTBURBONSA-N 0 0 318.424 4.350 50 0 DIAARN CC(C)C(=O)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000002888788 563941124 /nfs/dbraw/zinc/94/11/24/563941124.db2.gz ZHIUMUODGLMFRI-UHFFFAOYSA-N 0 0 308.333 4.021 50 0 DIAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000002908289 563941136 /nfs/dbraw/zinc/94/11/36/563941136.db2.gz OJWXAPFUFIQRGE-OAHLLOKOSA-N 0 0 317.820 4.449 50 0 DIAARN C[C@H](NC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000029240588 563941315 /nfs/dbraw/zinc/94/13/15/563941315.db2.gz HUUBIDVAQQLIFS-JTQLQIEISA-N 0 0 311.278 4.336 50 0 DIAARN Cc1ccc(CNC(=O)CCSCc2ccccc2F)cc1 ZINC000003031675 563941677 /nfs/dbraw/zinc/94/16/77/563941677.db2.gz ZIUWQDSOVLVFGO-UHFFFAOYSA-N 0 0 317.429 4.074 50 0 DIAARN COc1ccc2c(c1)SC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000230184313 563941904 /nfs/dbraw/zinc/94/19/04/563941904.db2.gz RIICMZORHHQOBQ-TXPWEPMLSA-N 0 0 302.439 4.280 50 0 DIAARN COc1ccc2c(c1)SC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000230184325 563941978 /nfs/dbraw/zinc/94/19/78/563941978.db2.gz RIICMZORHHQOBQ-LJGDNWOOSA-N 0 0 302.439 4.280 50 0 DIAARN O=C(NCc1ccc(F)cc1)C1c2ccccc2-c2ccccc21 ZINC000003106296 563942060 /nfs/dbraw/zinc/94/20/60/563942060.db2.gz OWJWDSZTCPQUDQ-UHFFFAOYSA-N 0 0 317.363 4.254 50 0 DIAARN Cc1ccc(Sc2ncccc2COC(=O)NC(C)C)cc1 ZINC000003105731 563942123 /nfs/dbraw/zinc/94/21/23/563942123.db2.gz PWIDPJJMQWDBSC-UHFFFAOYSA-N 0 0 316.426 4.176 50 0 DIAARN Cc1ccc(SCCNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000003105107 563942183 /nfs/dbraw/zinc/94/21/83/563942183.db2.gz GMEOERSBJSUHOJ-UHFFFAOYSA-N 0 0 319.857 4.099 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)C(F)(F)Oc1ccc(F)cc1 ZINC000003117011 563942325 /nfs/dbraw/zinc/94/23/25/563942325.db2.gz HNZJETUFOYNEQY-UHFFFAOYSA-N 0 0 315.678 4.089 50 0 DIAARN Cc1cccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)c1 ZINC000003133762 563942329 /nfs/dbraw/zinc/94/23/29/563942329.db2.gz NGPMHAWHXTUKPI-UHFFFAOYSA-N 0 0 317.314 4.449 50 0 DIAARN O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 ZINC000003136909 563942353 /nfs/dbraw/zinc/94/23/53/563942353.db2.gz OQEPEQZYLMHYPW-UHFFFAOYSA-N 0 0 324.258 4.078 50 0 DIAARN CCOC(=O)c1c2c(sc1NC(=O)C(CC)CC)CCCC2 ZINC000003200088 563942831 /nfs/dbraw/zinc/94/28/31/563942831.db2.gz OLCRCVNZVRBHCP-UHFFFAOYSA-N 0 0 323.458 4.178 50 0 DIAARN CCOC(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000003235488 563942943 /nfs/dbraw/zinc/94/29/43/563942943.db2.gz AEVDVMJFPHGBNS-UHFFFAOYSA-N 0 0 301.186 4.293 50 0 DIAARN Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NCCS1 ZINC000003223755 563942971 /nfs/dbraw/zinc/94/29/71/563942971.db2.gz VKSHVBHPLMRYHN-UHFFFAOYSA-N 0 0 311.410 4.136 50 0 DIAARN C[C@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C1 ZINC000003217228 563942997 /nfs/dbraw/zinc/94/29/97/563942997.db2.gz UTZSZMDQQUJVML-AWEZNQCLSA-N 0 0 320.392 4.367 50 0 DIAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 ZINC000003225596 563943026 /nfs/dbraw/zinc/94/30/26/563943026.db2.gz AZUYWOVNGVYYQS-AWEZNQCLSA-N 0 0 317.429 4.262 50 0 DIAARN Cc1csc(NC(=O)CCCOc2ccc(Cl)c(C)c2)n1 ZINC000003248944 563943097 /nfs/dbraw/zinc/94/30/97/563943097.db2.gz JGYDCNCTXBSSQN-UHFFFAOYSA-N 0 0 324.833 4.211 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3)cc2)n1 ZINC000003236264 563943116 /nfs/dbraw/zinc/94/31/16/563943116.db2.gz GTZCSPUZYHDYAW-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN O=C(c1cc(Cl)nc2ccccc21)N1CCc2ccccc2C1 ZINC000003238170 563943120 /nfs/dbraw/zinc/94/31/20/563943120.db2.gz JIDTXDQBSOZKEY-UHFFFAOYSA-N 0 0 322.795 4.087 50 0 DIAARN Fc1cc(NC(=S)N2CCc3ccccc32)ccc1Cl ZINC000003257447 563943336 /nfs/dbraw/zinc/94/33/36/563943336.db2.gz OKOLJXFJJFTQLH-UHFFFAOYSA-N 0 0 306.793 4.239 50 0 DIAARN O=C(CSc1ccccc1Cl)N1CCc2ccccc21 ZINC000003266297 563943365 /nfs/dbraw/zinc/94/33/65/563943365.db2.gz MGEVTQZBYOODES-UHFFFAOYSA-N 0 0 303.814 4.021 50 0 DIAARN O=C(CNc1ccccc1-c1ccccc1)NCc1ccccc1 ZINC000003273120 563943462 /nfs/dbraw/zinc/94/34/62/563943462.db2.gz AXXFFGSCUWRDJL-UHFFFAOYSA-N 0 0 316.404 4.082 50 0 DIAARN COc1cccc2c1N(C(=O)c1ccc(F)cc1Cl)CCC2 ZINC000030576269 563943467 /nfs/dbraw/zinc/94/34/67/563943467.db2.gz ITTYVRAZHPUVKB-UHFFFAOYSA-N 0 0 319.763 4.081 50 0 DIAARN O=C(CSc1nncs1)c1ccc(-c2ccccc2)cc1 ZINC000003413516 563943876 /nfs/dbraw/zinc/94/38/76/563943876.db2.gz XRGWIJGLJQHCLS-UHFFFAOYSA-N 0 0 312.419 4.180 50 0 DIAARN O=C(CCc1cccs1)Nc1cccc(OC(F)(F)F)c1 ZINC000030884442 563943892 /nfs/dbraw/zinc/94/38/92/563943892.db2.gz JCRQZHYFGYRKRZ-UHFFFAOYSA-N 0 0 315.316 4.218 50 0 DIAARN CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000003479687 563944144 /nfs/dbraw/zinc/94/41/44/563944144.db2.gz QVDGEALIQVBFGP-UHFFFAOYSA-N 0 0 322.191 4.377 50 0 DIAARN c1coc(-c2nc(CSc3nc(-c4ccccc4)c[nH]3)no2)c1 ZINC000031302219 563944386 /nfs/dbraw/zinc/94/43/86/563944386.db2.gz WAZGLTOLXDGZIA-UHFFFAOYSA-N 0 0 324.365 4.012 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073943 563945129 /nfs/dbraw/zinc/94/51/29/563945129.db2.gz QGKQXZFZOIQFBI-CGPUTVHZSA-N 0 0 306.490 4.141 50 0 biogenic DIAARN Cc1sc2nc(Cl)n3nc(-c4ccccc4)nc3c2c1C ZINC000032069654 563945133 /nfs/dbraw/zinc/94/51/33/563945133.db2.gz RFBMOMWZEIDJAH-UHFFFAOYSA-N 0 0 314.801 4.276 50 0 DIAARN O=C(Nc1cccc(F)c1)c1ccccc1OCc1ccncc1 ZINC000032034717 563945213 /nfs/dbraw/zinc/94/52/13/563945213.db2.gz RQBMYXGFWROVSN-UHFFFAOYSA-N 0 0 322.339 4.052 50 0 DIAARN O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccc2[nH]ccc2c1 ZINC000032104739 563945317 /nfs/dbraw/zinc/94/53/17/563945317.db2.gz VOFPJGVRPTYEQE-UHFFFAOYSA-N 0 0 323.783 4.415 50 0 DIAARN CN(Cc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 ZINC000032512298 563945782 /nfs/dbraw/zinc/94/57/82/563945782.db2.gz WTIUZIKYZLCUBC-GOSISDBHSA-N 0 0 319.408 4.246 50 0 DIAARN O=C(c1ccccc1)N1[C@@H]2CCCC[C@@H]2S[C@H]2CCCC[C@H]21 ZINC000229771924 563945789 /nfs/dbraw/zinc/94/57/89/563945789.db2.gz OVVFTWHENPMSBS-BDXSIMOUSA-N 0 0 315.482 4.498 50 0 DIAARN COc1ccc2cc([C@H](C)C(=O)N3CCC(C)CC3)ccc2c1 ZINC000007981072 563945975 /nfs/dbraw/zinc/94/59/75/563945975.db2.gz YFKCFNDKFUZKLE-HNNXBMFYSA-N 0 0 311.425 4.210 50 0 DIAARN Fc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 ZINC000007989229 563946008 /nfs/dbraw/zinc/94/60/08/563946008.db2.gz PZLNLXOISCYLLE-UHFFFAOYSA-N 0 0 309.369 4.047 50 0 DIAARN C[C@H](C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000263457161 563946076 /nfs/dbraw/zinc/94/60/76/563946076.db2.gz BADSTPLBNYRNMS-QCPWZWHMSA-N 0 0 321.848 4.161 50 0 DIAARN CCCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1 ZINC000038140464 563946407 /nfs/dbraw/zinc/94/64/07/563946407.db2.gz GVZHAZPAJKNXAM-UHFFFAOYSA-N 0 0 321.424 4.254 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2F)cc1C ZINC000008076677 563946532 /nfs/dbraw/zinc/94/65/32/563946532.db2.gz RXMZKQXMOLARKH-UHFFFAOYSA-N 0 0 317.335 4.183 50 0 DIAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCc1ccccc1 ZINC000008131639 563946725 /nfs/dbraw/zinc/94/67/25/563946725.db2.gz VAJNHUFVCIIFBD-AWEZNQCLSA-N 0 0 324.449 4.449 50 0 DIAARN Cc1cccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1 ZINC000008127345 563946868 /nfs/dbraw/zinc/94/68/68/563946868.db2.gz OTHYOZXUTIIKNY-UHFFFAOYSA-N 0 0 318.420 4.219 50 0 DIAARN O=C(COc1ccc2ccccc2c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008162007 563946982 /nfs/dbraw/zinc/94/69/82/563946982.db2.gz SVBVXWSXHIQBCG-HKUYNNGSSA-N 0 0 323.436 4.257 50 0 DIAARN O=C1CCc2cc(-c3csc(-c4ccccc4)n3)ccc2N1 ZINC000008208340 563947116 /nfs/dbraw/zinc/94/71/16/563947116.db2.gz BWOPLEOABJJQAS-UHFFFAOYSA-N 0 0 306.390 4.362 50 0 DIAARN Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c(O)c1 ZINC000008186244 563947166 /nfs/dbraw/zinc/94/71/66/563947166.db2.gz SHBQTKIIKMYJAM-UHFFFAOYSA-N 0 0 323.801 4.017 50 0 DIAARN Cc1nc(NC2CCCCC2)sc1C(=O)Nc1ccccc1 ZINC000008185040 563947173 /nfs/dbraw/zinc/94/71/73/563947173.db2.gz JDBZWWYAWSNEFU-UHFFFAOYSA-N 0 0 315.442 4.448 50 0 DIAARN Fc1cc(Br)ccc1OCc1nc2ccccc2o1 ZINC000008222262 563947193 /nfs/dbraw/zinc/94/71/93/563947193.db2.gz CVJCQDGDMVTVFO-UHFFFAOYSA-N 0 0 322.133 4.308 50 0 DIAARN Cc1sc2nc(C)nc(Sc3nnc(C4CC4)o3)c2c1C ZINC000008198697 563947211 /nfs/dbraw/zinc/94/72/11/563947211.db2.gz SYKXEHZEMXOWSC-UHFFFAOYSA-N 0 0 318.427 4.028 50 0 DIAARN O=C(NCc1cccs1)c1cc(C2CC2)nc2ccccc21 ZINC000008231510 563947357 /nfs/dbraw/zinc/94/73/57/563947357.db2.gz HHNXWUPZYNWTDK-UHFFFAOYSA-N 0 0 308.406 4.104 50 0 DIAARN CCOc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 ZINC000008324013 563947775 /nfs/dbraw/zinc/94/77/75/563947775.db2.gz QCKLOEYMKNSBQO-UHFFFAOYSA-N 0 0 315.438 4.433 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)COc1cccc2ccccc21 ZINC000008325096 563947933 /nfs/dbraw/zinc/94/79/33/563947933.db2.gz IIGXBVLYASEUQM-MRXNPFEDSA-N 0 0 319.404 4.404 50 0 DIAARN O=C(Nc1ccnn1C1CCCCC1)Nc1ccc(F)cc1 ZINC000008327582 563947945 /nfs/dbraw/zinc/94/79/45/563947945.db2.gz MKSGQZBMULLEFC-UHFFFAOYSA-N 0 0 302.353 4.171 50 0 DIAARN C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1cccnc1 ZINC000008346263 563948014 /nfs/dbraw/zinc/94/80/14/563948014.db2.gz WOCJJQHOPPOAIE-HNNXBMFYSA-N 0 0 318.376 4.365 50 0 DIAARN COc1cccc(CC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000008390701 563948223 /nfs/dbraw/zinc/94/82/23/563948223.db2.gz KCXKQRQSEXBTTI-UHFFFAOYSA-N 0 0 303.789 4.147 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCCc2ccccc21 ZINC000008392914 563948422 /nfs/dbraw/zinc/94/84/22/563948422.db2.gz DUXRMAIQKXQBCC-UHFFFAOYSA-N 0 0 305.299 4.298 50 0 DIAARN Cc1ccc(C)c(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000008428209 563948551 /nfs/dbraw/zinc/94/85/51/563948551.db2.gz POXGREVIZWCWOS-HNNXBMFYSA-N 0 0 315.388 4.089 50 0 DIAARN C[C@H]1CCc2nc(NC(=O)Nc3ccccc3F)sc2C1 ZINC000008405373 563948699 /nfs/dbraw/zinc/94/86/99/563948699.db2.gz QSXJEATYESAXOF-VIFPVBQESA-N 0 0 305.378 4.051 50 0 DIAARN O=C(/C=C/c1cc2cc(Cl)ccc2o1)NCc1ccccc1 ZINC000067339220 563949023 /nfs/dbraw/zinc/94/90/23/563949023.db2.gz SIWDIHJODQAUNK-VQHVLOKHSA-N 0 0 311.768 4.416 50 0 DIAARN COc1ccccc1CNC(=O)/C=C/c1cc2cc(C)ccc2o1 ZINC000067339711 563949025 /nfs/dbraw/zinc/94/90/25/563949025.db2.gz LOKBHOWHMKRUJJ-CSKARUKUSA-N 0 0 321.376 4.079 50 0 DIAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCCC2)cc1C ZINC000008583040 563949136 /nfs/dbraw/zinc/94/91/36/563949136.db2.gz OGISDQLSVSAMOL-UHFFFAOYSA-N 0 0 321.428 4.177 50 0 DIAARN CC(C)CC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000008560402 563949209 /nfs/dbraw/zinc/94/92/09/563949209.db2.gz XYFDBTUZMNHPQE-UHFFFAOYSA-N 0 0 321.380 4.388 50 0 DIAARN Fc1ccccc1CN(Cc1nnc(-c2ccccc2)o1)C1CC1 ZINC000067445754 563949371 /nfs/dbraw/zinc/94/93/71/563949371.db2.gz FGYAYPZIFRYAJG-UHFFFAOYSA-N 0 0 323.371 4.040 50 0 DIAARN CC(C)N(Cc1cccnc1)C(=O)Nc1cccc2cnccc21 ZINC000067474577 563949442 /nfs/dbraw/zinc/94/94/42/563949442.db2.gz FVFMGMHBDMQLQT-UHFFFAOYSA-N 0 0 320.396 4.072 50 0 DIAARN CCN(Cc1ccncc1)C(=S)Nc1cccc(Cl)c1C ZINC000008653699 563949542 /nfs/dbraw/zinc/94/95/42/563949542.db2.gz ZXVFOLLFJWDBSZ-UHFFFAOYSA-N 0 0 319.861 4.262 50 0 DIAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncccc1Cl ZINC000008706045 563949953 /nfs/dbraw/zinc/94/99/53/563949953.db2.gz KIKOYNDTCCISOX-GFCCVEGCSA-N 0 0 320.845 4.471 50 0 DIAARN C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccn1 ZINC000008746870 563950381 /nfs/dbraw/zinc/95/03/81/563950381.db2.gz VLTCRHADLZCIQL-CQSZACIVSA-N 0 0 314.388 4.144 50 0 DIAARN O=C(CSc1ncc(-c2ccccc2)n1C1CC1)c1ccc[nH]1 ZINC000008752557 563950543 /nfs/dbraw/zinc/95/05/43/563950543.db2.gz PKRSIVUJUWNGOR-UHFFFAOYSA-N 0 0 323.421 4.188 50 0 DIAARN O=C(NCCCSc1ccccc1)c1cc2ccccc2o1 ZINC000008754815 563950670 /nfs/dbraw/zinc/95/06/70/563950670.db2.gz RYGBMOZVUZOZNK-UHFFFAOYSA-N 0 0 311.406 4.345 50 0 DIAARN CCN(C(=O)c1ccc(SC)nc1)c1cc(C)ccc1C ZINC000067970606 563950717 /nfs/dbraw/zinc/95/07/17/563950717.db2.gz AQSBVFGHOHAPCV-UHFFFAOYSA-N 0 0 300.427 4.087 50 0 DIAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000040062125 563951295 /nfs/dbraw/zinc/95/12/95/563951295.db2.gz VWQAHNDVKOCJLD-UHFFFAOYSA-N 0 0 308.356 4.208 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cl)c2C)c1C ZINC000008988639 563951968 /nfs/dbraw/zinc/95/19/68/563951968.db2.gz OKFARKKANBODNS-UHFFFAOYSA-N 0 0 304.777 4.048 50 0 DIAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1Cl ZINC000245053619 563952048 /nfs/dbraw/zinc/95/20/48/563952048.db2.gz PDEAEEMQIVSLKV-GFCCVEGCSA-N 0 0 313.784 4.447 50 0 DIAARN c1cc2c(ncnc2SCc2cnn(-c3ccccc3)c2)s1 ZINC000009053939 563952075 /nfs/dbraw/zinc/95/20/75/563952075.db2.gz HBGJZELOTSPCKH-UHFFFAOYSA-N 0 0 324.434 4.169 50 0 DIAARN Cc1cccc(CC(=O)N[C@H](C)Cc2cc3ccccc3o2)c1 ZINC000245187620 563952079 /nfs/dbraw/zinc/95/20/79/563952079.db2.gz ZRDXCFXHDDLTLO-OAHLLOKOSA-N 0 0 307.393 4.031 50 0 DIAARN CCSc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 ZINC000069370177 563952504 /nfs/dbraw/zinc/95/25/04/563952504.db2.gz RZMIFHYHTFVQNB-LSDHHAIUSA-N 0 0 316.401 4.075 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)c2cccc3ccccc32)on1 ZINC000069418590 563952786 /nfs/dbraw/zinc/95/27/86/563952786.db2.gz UNKUNEGCIZGCDV-KRWDZBQOSA-N 0 0 306.365 4.114 50 0 DIAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCC(C)C ZINC000069454193 563952976 /nfs/dbraw/zinc/95/29/76/563952976.db2.gz IETQVDMJOJCCRZ-QGZVFWFLSA-N 0 0 313.445 4.156 50 0 DIAARN COc1ccccc1-c1c[nH]cc1C(=O)Nc1ccc(C)cc1 ZINC000069486055 563953066 /nfs/dbraw/zinc/95/30/66/563953066.db2.gz KUBJXRHSFBJKMY-UHFFFAOYSA-N 0 0 306.365 4.251 50 0 DIAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CC(C)C)ccc1O2 ZINC000009134878 563953427 /nfs/dbraw/zinc/95/34/27/563953427.db2.gz BNYOQYSQDKBNDM-UHFFFAOYSA-N 0 0 324.380 4.338 50 0 DIAARN CCCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 ZINC000009134565 563953462 /nfs/dbraw/zinc/95/34/62/563953462.db2.gz XAOCGOJMRAOORI-UHFFFAOYSA-N 0 0 324.380 4.198 50 0 DIAARN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc2ccccc2n1 ZINC000069562030 563953516 /nfs/dbraw/zinc/95/35/16/563953516.db2.gz IFRQQYJQRKCUBY-KRWDZBQOSA-N 0 0 322.795 4.306 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(Br)o2)c(Cl)c1 ZINC000009155316 563953602 /nfs/dbraw/zinc/95/36/02/563953602.db2.gz KKFPSKCPMKSBFR-UHFFFAOYSA-N 0 0 314.566 4.256 50 0 DIAARN CSc1ccc(CN(C)C(=O)Nc2ccccc2F)cc1 ZINC000009218356 563954096 /nfs/dbraw/zinc/95/40/96/563954096.db2.gz DQQFPVALOFWOCO-UHFFFAOYSA-N 0 0 304.390 4.212 50 0 DIAARN O=C(NCCCSc1ccccc1)Nc1ccccc1F ZINC000009218349 563954119 /nfs/dbraw/zinc/95/41/19/563954119.db2.gz RTKMORZUBJBVPG-UHFFFAOYSA-N 0 0 304.390 4.130 50 0 DIAARN CC(C)c1nc(CNC2(c3ccc(Cl)cc3)CCC2)no1 ZINC000069700716 563954235 /nfs/dbraw/zinc/95/42/35/563954235.db2.gz CWMMZQKBKYXDLK-UHFFFAOYSA-N 0 0 305.809 4.015 50 0 DIAARN Cc1ccc(C)c([C@@H](C)CNC(=O)c2cccc3cccnc32)c1 ZINC000009314989 563954959 /nfs/dbraw/zinc/95/49/59/563954959.db2.gz WJJKZASTASESFC-INIZCTEOSA-N 0 0 318.420 4.385 50 0 DIAARN CC(C)c1nnc(NC(=O)c2cc3ccccc3s2)s1 ZINC000009315930 563954964 /nfs/dbraw/zinc/95/49/64/563954964.db2.gz BFFPNYLSPDUOEJ-UHFFFAOYSA-N 0 0 303.412 4.129 50 0 DIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000009321347 563955211 /nfs/dbraw/zinc/95/52/11/563955211.db2.gz MZUYMFBQPNBKSK-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN O=C(c1ncc(-c2ccc(F)cc2)o1)N1CCCc2ccccc21 ZINC000009321851 563955248 /nfs/dbraw/zinc/95/52/48/563955248.db2.gz LPTZNEFKKBCXBC-UHFFFAOYSA-N 0 0 322.339 4.074 50 0 DIAARN c1ccc2c(c1)nc(N1CCCCC1)nc2N1CCCCCC1 ZINC000041149301 563955844 /nfs/dbraw/zinc/95/58/44/563955844.db2.gz SPPHUGVOBIHPNP-UHFFFAOYSA-N 0 0 310.445 4.001 50 0 DIAARN C[C@H]1CC(=O)c2c1c(F)ccc2Oc1ncnc2sccc21 ZINC000009429133 563955929 /nfs/dbraw/zinc/95/59/29/563955929.db2.gz KCOBDEXJLPQTPR-QMMMGPOBSA-N 0 0 314.341 4.313 50 0 DIAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009527317 563956619 /nfs/dbraw/zinc/95/66/19/563956619.db2.gz IPAXMMQYBCTXLC-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1cccc(C)c1C ZINC000009528134 563956663 /nfs/dbraw/zinc/95/66/63/563956663.db2.gz KPSRCJACAXOJEP-GOSISDBHSA-N 0 0 311.429 4.494 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1 ZINC000009516559 563956664 /nfs/dbraw/zinc/95/66/64/563956664.db2.gz ZVVYCOJQGJEFIU-CQSZACIVSA-N 0 0 316.832 4.251 50 0 DIAARN Cc1ccnc(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 ZINC000009548503 563956711 /nfs/dbraw/zinc/95/67/11/563956711.db2.gz HCHVDRLUZHXYMP-UHFFFAOYSA-N 0 0 303.365 4.013 50 0 DIAARN CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1ccc(F)cc1F ZINC000009528307 563956789 /nfs/dbraw/zinc/95/67/89/563956789.db2.gz BABOVTLBUJZADU-INIZCTEOSA-N 0 0 319.355 4.011 50 0 DIAARN Cc1ccc2nc3sc(C(=O)NC4CCCC4)cc3cc2c1 ZINC000009528714 563956791 /nfs/dbraw/zinc/95/67/91/563956791.db2.gz REKMSJWMHITCMU-UHFFFAOYSA-N 0 0 310.422 4.430 50 0 DIAARN CCc1ccc2oc(-c3cc(NC(=O)C(C)C)ccc3O)nc2c1 ZINC000009547399 563956792 /nfs/dbraw/zinc/95/67/92/563956792.db2.gz BXYNFCGZAUXREX-UHFFFAOYSA-N 0 0 324.380 4.357 50 0 DIAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)c1C ZINC000009528261 563956817 /nfs/dbraw/zinc/95/68/17/563956817.db2.gz NCDNAONGGLVRKI-GOSISDBHSA-N 0 0 311.429 4.350 50 0 DIAARN Cc1[nH]c2ccccc2c1-c1csc(NC[C@@H]2CCCO2)n1 ZINC000009575612 563956877 /nfs/dbraw/zinc/95/68/77/563956877.db2.gz ZMYBGOCEHBTMCC-LBPRGKRZSA-N 0 0 313.426 4.191 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccnn1C1CCCCC1 ZINC000009602454 563957128 /nfs/dbraw/zinc/95/71/28/563957128.db2.gz QFTWZGDATQRJGR-UKRRQHHQSA-N 0 0 320.506 4.253 50 0 DIAARN O=C(CCCOc1ccccc1)Nc1ccccc1OC(F)F ZINC000070675837 563957141 /nfs/dbraw/zinc/95/71/41/563957141.db2.gz ZBUQTMRQVQRHPT-UHFFFAOYSA-N 0 0 321.323 4.086 50 0 DIAARN Cc1ccc(NC(=O)CSC(C)(C)C)c(Br)c1 ZINC000009690596 563957313 /nfs/dbraw/zinc/95/73/13/563957313.db2.gz LPTBCOJSVDPOQA-UHFFFAOYSA-N 0 0 316.264 4.228 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3F)n[nH]2)cc1 ZINC000009677787 563957328 /nfs/dbraw/zinc/95/73/28/563957328.db2.gz FZQQOECERXTPPU-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN Cc1ccc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000009711029 563957502 /nfs/dbraw/zinc/95/75/02/563957502.db2.gz HKNWYGRSELNIQT-AWEZNQCLSA-N 0 0 308.381 4.302 50 0 DIAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827858 563957709 /nfs/dbraw/zinc/95/77/09/563957709.db2.gz DUMNFABYHMSLJF-UHFFFAOYSA-N 0 0 324.380 4.419 50 0 DIAARN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@@H]1CCc2ccccc21 ZINC000009878371 563957858 /nfs/dbraw/zinc/95/78/58/563957858.db2.gz UIOPHCNALRIZJM-MOPGFXCFSA-N 0 0 306.409 4.124 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccccc1 ZINC000009895538 563957898 /nfs/dbraw/zinc/95/78/98/563957898.db2.gz MCYKJBWDGLFEET-HXUWFJFHSA-N 0 0 318.420 4.464 50 0 DIAARN COc1cc(OC)cc([C@@H]2SCC(=O)Nc3ccsc32)c1 ZINC000071279098 563957991 /nfs/dbraw/zinc/95/79/91/563957991.db2.gz FNGSBVYAHOCCPS-AWEZNQCLSA-N 0 0 321.423 4.190 50 0 DIAARN CCc1ccc([C@@H](NC(=O)NCc2ccco2)C(C)C)cc1 ZINC000009960884 563958091 /nfs/dbraw/zinc/95/80/91/563958091.db2.gz BMPICEJZPNRQMI-KRWDZBQOSA-N 0 0 300.402 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1047258986 /nfs/dbraw/zinc/25/89/86/1047258986.db2.gz VDZWQDCFGAHRDM-UHFFFAOYSA-N 0 0 300.230 4.430 50 0 DIAARN Cc1ccc(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C2CC2)s1 ZINC000067649093 1047271396 /nfs/dbraw/zinc/27/13/96/1047271396.db2.gz JNLPWBKIODPZFY-ZWKOTPCHSA-N 0 0 311.450 4.351 50 0 DIAARN Cc1ccc(F)c(-c2nn3c(nnc3C(C)C)s2)c1Cl ZINC000071777348 1047291049 /nfs/dbraw/zinc/29/10/49/1047291049.db2.gz RPEPKNOKWUCTIL-UHFFFAOYSA-N 0 0 310.785 4.077 50 0 DIAARN Oc1ccccc1-c1cc(-c2ccccc2)nc(N2CCCC2)n1 ZINC000000209784 1047309530 /nfs/dbraw/zinc/30/95/30/1047309530.db2.gz UTNPSXMOVIMKDF-UHFFFAOYSA-N 0 0 317.392 4.116 50 0 DIAARN Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000000280237 1047317020 /nfs/dbraw/zinc/31/70/20/1047317020.db2.gz ZPJJGSAUFQLKKQ-UHFFFAOYSA-N 0 0 311.772 4.291 50 0 DIAARN Cc1conc1NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000154622458 1047381948 /nfs/dbraw/zinc/38/19/48/1047381948.db2.gz VQSOWFNXKNIBMC-UHFFFAOYSA-N 0 0 321.380 4.278 50 0 DIAARN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)sc1-c1ccccc1 ZINC000001053799 1047403887 /nfs/dbraw/zinc/40/38/87/1047403887.db2.gz NWHQRCUJWFNEGW-ZFWWWQNUSA-N 0 0 315.438 4.021 50 0 DIAARN CC[C@@H](C)c1ccccc1OCC(=O)N(C)Cc1ccsc1 ZINC000623510512 1047623682 /nfs/dbraw/zinc/62/36/82/1047623682.db2.gz MWQSOQQHVAHWRL-CQSZACIVSA-N 0 0 317.454 4.299 50 0 DIAARN Cc1ccc(C2=N/C(=C/c3ccc(Cl)s3)C(=O)O2)s1 ZINC000048557237 1047947851 /nfs/dbraw/zinc/94/78/51/1047947851.db2.gz XSFRMOIJKCSWNT-RMKNXTFCSA-N 0 0 309.799 4.116 50 0 DIAARN COc1cccc([C@H](C)NC(=S)Nc2cccc(C)c2)c1 ZINC000006967541 1048539749 /nfs/dbraw/zinc/53/97/49/1048539749.db2.gz ZNVPCSZJDIAFNI-ZDUSSCGKSA-N 0 0 300.427 4.051 50 0 DIAARN CCC(CC)Nc1nnc(-c2nnc(C3CC3)o2)c2ccccc21 ZINC000065258215 1048580675 /nfs/dbraw/zinc/58/06/75/1048580675.db2.gz OADRQSPGDFTLCD-UHFFFAOYSA-N 0 0 323.400 4.158 50 0 DIAARN Clc1ccc(Cl)c(OCc2nnc(-c3ccco3)o2)c1 ZINC000007039822 1048581269 /nfs/dbraw/zinc/58/12/69/1048581269.db2.gz JSWDQXYGBUHGHY-UHFFFAOYSA-N 0 0 311.124 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/nfs/dbraw/zinc/78/90/63/1052789063.db2.gz SZDNEDOHEJKTTJ-WAYWQWQTSA-N 0 0 312.316 4.122 50 0 DIAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccccc1N1CCCCC1 ZINC000033503791 1052790035 /nfs/dbraw/zinc/79/00/35/1052790035.db2.gz JSUWLSUHDZZVRL-RAXLEYEMSA-N 0 0 324.399 4.468 50 0 DIAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000033576329 1052811392 /nfs/dbraw/zinc/81/13/92/1052811392.db2.gz WXWCCHADCLKMKC-BAQGIRSFSA-N 0 0 311.690 4.409 50 0 DIAARN CC[C@H](Nc1ccc2c(c1)NC(=O)CC2)c1cc(F)ccc1F ZINC000179883404 1053033717 /nfs/dbraw/zinc/03/37/17/1053033717.db2.gz RPEABHFHRBUVNV-INIZCTEOSA-N 0 0 316.351 4.413 50 0 DIAARN O=C(OCc1cc(-c2cccs2)on1)c1c[nH]c2ccccc21 ZINC000007855220 1053045096 /nfs/dbraw/zinc/04/50/96/1053045096.db2.gz LYLSYPDNDFNLNK-UHFFFAOYSA-N 0 0 324.361 4.241 50 0 DIAARN COc1ccc(N(C(=O)c2cccn2C2CC2)[C@@H](C)C2CC2)cc1 ZINC000181234650 1053168536 /nfs/dbraw/zinc/16/85/36/1053168536.db2.gz MBYYUNJKSRWIQA-AWEZNQCLSA-N 0 0 324.424 4.277 50 0 DIAARN COc1ccc(Cl)cc1Nc1nnc(-c2ccncc2)s1 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COc1ccc([C@@H]2CCCCCN2C(=O)/C=C\C(C)C)cc1 ZINC000606443543 1057613003 /nfs/dbraw/zinc/61/30/03/1057613003.db2.gz FJCUCIOLDZQFJS-ZHJQRIIBSA-N 0 0 301.430 4.351 50 0 DIAARN O=C(/C=C/c1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 ZINC000618257407 1057640020 /nfs/dbraw/zinc/64/00/20/1057640020.db2.gz XBHMGXKJMFPFDC-IJDCCNJMSA-N 0 0 323.417 4.303 50 0 DIAARN CC(C)[C@H](C(=O)Nc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC001529105216 1058610674 /nfs/dbraw/zinc/61/06/74/1058610674.db2.gz YKHSKVGRMWBDDY-INIZCTEOSA-N 0 0 319.836 4.496 50 0 DIAARN CSc1ccc2c(C)cc(NCc3[nH]nc4c3CCC4)nc2c1 ZINC001529161834 1058627501 /nfs/dbraw/zinc/62/75/01/1058627501.db2.gz RPEKFJSTSZLUTQ-UHFFFAOYSA-N 0 0 324.453 4.089 50 0 DIAARN COc1cccc2ccc(NCCCn3ccnc3C(C)C)nc21 ZINC001529188752 1058634219 /nfs/dbraw/zinc/63/42/19/1058634219.db2.gz BNRYMMXSNKLGDG-UHFFFAOYSA-N 0 0 324.428 4.066 50 0 DIAARN CCCc1nc(C)c(CNc2ncnc3sccc32)s1 ZINC001506400817 1063506967 /nfs/dbraw/zinc/50/69/67/1063506967.db2.gz GNIRVQWCSIWNDH-UHFFFAOYSA-N 0 0 304.444 4.021 50 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CC(C)(C)OC(=O)Nc1cnc2cc(Br)ccc2c1 ZINC000095802889 185384152 /nfs/dbraw/zinc/38/41/52/185384152.db2.gz AOWVEPHQDAKJQF-UHFFFAOYSA-N 0 0 323.190 4.344 50 0 DIAARN COc1ccc(C)cc1NC(=O)/C=C\c1ccc2ccccc2n1 ZINC000096623752 185384623 /nfs/dbraw/zinc/38/46/23/185384623.db2.gz TWFZWMXSDYSNJE-BENRWUELSA-N 0 0 318.376 4.204 50 0 DIAARN CCc1onc(C)c1NC(=O)Nc1sc(C)nc1CC(C)C ZINC000162880398 197598483 /nfs/dbraw/zinc/59/84/83/197598483.db2.gz JEHJCZSLANTXPY-UHFFFAOYSA-N 0 0 322.434 4.153 50 0 DIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C/c2cccc(C)c2)s1 ZINC000096759292 185386705 /nfs/dbraw/zinc/38/67/05/185386705.db2.gz AHRZOMSFXALZTQ-UVTDQMKNSA-N 0 0 322.433 4.273 50 0 DIAARN CCc1cc2c(nc3n(c2=O)CC/C3=C/c2ccsc2)s1 ZINC000096759295 185386741 /nfs/dbraw/zinc/38/67/41/185386741.db2.gz BTYJKLMOJYCFHE-XFFZJAGNSA-N 0 0 314.435 4.026 50 0 DIAARN CC(C)CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCCC1 ZINC000079068934 185153187 /nfs/dbraw/zinc/15/31/87/185153187.db2.gz GQAFHHJHHXZLDI-MRXNPFEDSA-N 0 0 301.430 4.233 50 0 DIAARN 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COc1ccc(OC)c(NC(=O)/C=C\c2cc3ccccc3o2)c1 ZINC000096932060 185392516 /nfs/dbraw/zinc/39/25/16/185392516.db2.gz TXQATBKSDJVTIB-NTMALXAHSA-N 0 0 323.348 4.102 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000096936467 185392870 /nfs/dbraw/zinc/39/28/70/185392870.db2.gz BRAPMZVPCSMNQQ-VURMDHGXSA-N 0 0 320.801 4.012 50 0 DIAARN CO[C@@H](C)c1cccc(NCc2nccn2Cc2ccccc2)c1 ZINC000088532830 185255200 /nfs/dbraw/zinc/25/52/00/185255200.db2.gz NDZXFRHKKFZVMM-INIZCTEOSA-N 0 0 321.424 4.251 50 0 DIAARN CCN(CCc1nccs1)C(=O)c1cc2ccccc2s1 ZINC000089969232 185272333 /nfs/dbraw/zinc/27/23/33/185272333.db2.gz WSTUBCJCGJTPEA-UHFFFAOYSA-N 0 0 316.451 4.063 50 0 DIAARN CCOCc1ccccc1NC(=O)Nc1cc(OC)ccc1C ZINC000089988703 185275091 /nfs/dbraw/zinc/27/50/91/185275091.db2.gz SJJLRRNYLHOVSR-UHFFFAOYSA-N 0 0 314.385 4.184 50 0 DIAARN CCCn1nc(C)c(CNc2ccc(Br)cc2)c1C ZINC000089960639 185272116 /nfs/dbraw/zinc/27/21/16/185272116.db2.gz PBUQBAKGZJEGJU-UHFFFAOYSA-N 0 0 322.250 4.285 50 0 DIAARN 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O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/c1cccs1 ZINC000000359261 190613696 /nfs/dbraw/zinc/61/36/96/190613696.db2.gz YMQYJFDHCNAFEY-KPKJPENVSA-N 0 0 324.188 4.399 50 0 DIAARN Cc1ccccc1/C=C1/N=C(c2ccc(C(C)C)cc2)OC1=O ZINC000000359534 190613762 /nfs/dbraw/zinc/61/37/62/190613762.db2.gz DCJDLWCUWJEIMK-LDADJPATSA-N 0 0 305.377 4.463 50 0 DIAARN COc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000000466839 190614204 /nfs/dbraw/zinc/61/42/04/190614204.db2.gz SEBQYKNYWDBECD-UHFFFAOYSA-N 0 0 311.164 4.359 50 0 DIAARN CCOC(=O)c1ccc(N[P@@](C)(=O)Oc2ccccc2)cc1 ZINC000001268767 190615781 /nfs/dbraw/zinc/61/57/81/190615781.db2.gz OXEPRJBULCNAKN-QFIPXVFZSA-N 0 0 319.297 4.177 50 0 DIAARN c1ccc2[nH]c(SCSc3nc4ccccc4[nH]3)nc2c1 ZINC000000094179 190611156 /nfs/dbraw/zinc/61/11/56/190611156.db2.gz ZEQSOCQZFYINBK-UHFFFAOYSA-N 0 0 312.423 4.281 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc2O1 ZINC000000082336 190611244 /nfs/dbraw/zinc/61/12/44/190611244.db2.gz GZJYYTDPEQCUOZ-OAHLLOKOSA-N 0 0 321.298 4.038 50 0 DIAARN COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1Cl ZINC000000328924 190612827 /nfs/dbraw/zinc/61/28/27/190612827.db2.gz ZFPRQWHVBBZFQP-UHFFFAOYSA-N 0 0 321.829 4.388 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000005447471 190620928 /nfs/dbraw/zinc/62/09/28/190620928.db2.gz IDSGYYPVCFUWSX-UHFFFAOYSA-N 0 0 324.767 4.343 50 0 DIAARN Cc1ccc(OCCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000006933593 190626048 /nfs/dbraw/zinc/62/60/48/190626048.db2.gz MSVYNSJDDSYXRO-UHFFFAOYSA-N 0 0 312.394 4.012 50 0 DIAARN O=C(c1ncoc1C1CC1)N1CCC(CCc2ccccc2)CC1 ZINC000082133627 192359779 /nfs/dbraw/zinc/35/97/79/192359779.db2.gz QFJILCAJBVTEGY-UHFFFAOYSA-N 0 0 324.424 4.037 50 0 DIAARN O=C(c1ncoc1C1CC1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000082126306 192358728 /nfs/dbraw/zinc/35/87/28/192358728.db2.gz ANDJSSUICJRAAQ-QGZVFWFLSA-N 0 0 324.424 4.180 50 0 DIAARN Cc1nnc(-c2cccc(CCOc3ccc(Cl)cc3)c2)o1 ZINC000082133689 192359401 /nfs/dbraw/zinc/35/94/01/192359401.db2.gz KAYCGWOINLCXLL-UHFFFAOYSA-N 0 0 314.772 4.320 50 0 DIAARN 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180804658 /nfs/dbraw/zinc/80/46/58/180804658.db2.gz ZZZUADNCXIKDGE-ZDUSSCGKSA-N 0 0 316.784 4.006 50 0 DIAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1C[C@H]1c1ccccc1 ZINC000000483595 180805341 /nfs/dbraw/zinc/80/53/41/180805341.db2.gz IDTBXZXFTOBRBL-STQMWFEESA-N 0 0 305.299 4.448 50 0 DIAARN CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccccn1 ZINC000000530237 180814680 /nfs/dbraw/zinc/81/46/80/180814680.db2.gz FPXHIMBZEZSTQY-UHFFFAOYSA-N 0 0 324.453 4.269 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000000505788 180809410 /nfs/dbraw/zinc/80/94/10/180809410.db2.gz CWOBUKMKUWIUGV-CQSZACIVSA-N 0 0 313.397 4.226 50 0 DIAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1OC ZINC000000510048 180810297 /nfs/dbraw/zinc/81/02/97/180810297.db2.gz NSJVBRIUAWFZGF-SFHVURJKSA-N 0 0 322.408 4.091 50 0 DIAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000580918 180825645 /nfs/dbraw/zinc/82/56/45/180825645.db2.gz FIPPHENAOIUVLD-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)ccc12 ZINC000000608757 180827338 /nfs/dbraw/zinc/82/73/38/180827338.db2.gz RGNVEKRAMYYXEO-UHFFFAOYSA-N 0 0 316.303 4.213 50 0 DIAARN CCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 ZINC000000560731 180821938 /nfs/dbraw/zinc/82/19/38/180821938.db2.gz LZCXIDPCBSLNGS-UHFFFAOYSA-N 0 0 323.392 4.322 50 0 DIAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000000567796 180823201 /nfs/dbraw/zinc/82/32/01/180823201.db2.gz KFJLDHQDRBVLKO-UHFFFAOYSA-N 0 0 310.378 4.017 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000000859940 180836446 /nfs/dbraw/zinc/83/64/46/180836446.db2.gz ZBKJLRVAZLHCBW-UHFFFAOYSA-N 0 0 309.699 4.073 50 0 DIAARN O=C(c1cc(Br)ccc1Cl)N1CCCCCC1 ZINC000000621229 180831147 /nfs/dbraw/zinc/83/11/47/180831147.db2.gz MXFHRFDVSJMHHG-UHFFFAOYSA-N 0 0 316.626 4.119 50 0 DIAARN CCc1cccc(CC)c1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000000621371 180831514 /nfs/dbraw/zinc/83/15/14/180831514.db2.gz RKGMOPRBCCGJLM-UHFFFAOYSA-N 0 0 312.369 4.184 50 0 DIAARN CC(=O)c1ccc(N2Cc3ccc(Br)cc3C2)cc1 ZINC000000758926 180831970 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CCOC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000020863096 182250106 /nfs/dbraw/zinc/25/01/06/182250106.db2.gz YSXRHFCAGMYXJU-UHFFFAOYSA-N 0 0 305.761 4.487 50 0 DIAARN CCCCNC(=O)c1cc2c(s1)-c1cc(C)sc1CC2 ZINC000021043562 182262939 /nfs/dbraw/zinc/26/29/39/182262939.db2.gz WDSDRUDGIOYJIT-UHFFFAOYSA-N 0 0 305.468 4.414 50 0 DIAARN COc1ccc(SCc2cc(=O)c3cc(C)ccc3[nH]2)cc1 ZINC000021098726 182265066 /nfs/dbraw/zinc/26/50/66/182265066.db2.gz JZVXFBKCWFHFKF-UHFFFAOYSA-N 0 0 311.406 4.137 50 0 DIAARN Cc1ccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)cc1 ZINC000020997201 182257936 /nfs/dbraw/zinc/25/79/36/182257936.db2.gz GBIVCXALTRWECV-INIZCTEOSA-N 0 0 310.422 4.476 50 0 DIAARN Cc1ccc(C)c(NC(=O)C[C@H](c2ccco2)n2cccc2)c1 ZINC000020997350 182257970 /nfs/dbraw/zinc/25/79/70/182257970.db2.gz AWFIHVQHSVYEOX-QGZVFWFLSA-N 0 0 308.381 4.316 50 0 DIAARN CC(=O)c1cc(-c2cccc(-c3ccn(CCF)n3)c2)cs1 ZINC000020999679 182258988 /nfs/dbraw/zinc/25/89/88/182258988.db2.gz XVUGZGLXOQKKNP-UHFFFAOYSA-N 0 0 314.385 4.451 50 0 DIAARN COCc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000021006757 182259552 /nfs/dbraw/zinc/25/95/52/182259552.db2.gz WODCJFPNKSPENM-UHFFFAOYSA-N 0 0 313.397 4.088 50 0 DIAARN Cc1cccc([C@@H](CC(=O)Nc2ccccc2)n2cccc2)c1 ZINC000021015989 182260409 /nfs/dbraw/zinc/26/04/09/182260409.db2.gz DLRKSPCMOREXNV-LJQANCHMSA-N 0 0 304.393 4.415 50 0 DIAARN COc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1 ZINC000021016060 182261038 /nfs/dbraw/zinc/26/10/38/182261038.db2.gz WHTCRRQJYWSBOU-IBGZPJMESA-N 0 0 320.392 4.115 50 0 DIAARN Cc1cccc(-c2ocnc2C(=O)NCCCc2ccccc2)c1 ZINC000021044633 182262664 /nfs/dbraw/zinc/26/26/64/182262664.db2.gz ATWVFCBWFJONEA-UHFFFAOYSA-N 0 0 320.392 4.013 50 0 DIAARN Cc1ccccc1CNC(=O)c1occc1COc1ccccc1 ZINC000021381299 182273472 /nfs/dbraw/zinc/27/34/72/182273472.db2.gz REUBARKOSMZPLD-UHFFFAOYSA-N 0 0 321.376 4.097 50 0 DIAARN O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cccc2)c1 ZINC000021137299 182266981 /nfs/dbraw/zinc/26/69/81/182266981.db2.gz LNGYRSQLKSRZMS-UHFFFAOYSA-N 0 0 313.360 4.278 50 0 DIAARN COc1ccccc1-c1cc2nc(C)cc(NC3CCCC3)n2n1 ZINC000021150527 182267394 /nfs/dbraw/zinc/26/73/94/182267394.db2.gz VBLZGPLYJAOJQD-UHFFFAOYSA-N 0 0 322.412 4.068 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1 ZINC000021171027 182268353 /nfs/dbraw/zinc/26/83/53/182268353.db2.gz CONQBQRLTFVHNI-IBGZPJMESA-N 0 0 324.424 4.257 50 0 DIAARN CC(C)CCC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000021196556 182268799 /nfs/dbraw/zinc/26/87/99/182268799.db2.gz OVQCHKXMYOGBQJ-FQEVSTJZSA-N 0 0 321.424 4.205 50 0 DIAARN O=C(Nc1ncccn1)c1sc2cc(Cl)ccc2c1Cl ZINC000021210944 182268915 /nfs/dbraw/zinc/26/89/15/182268915.db2.gz NRUWMXQCHNCDLM-UHFFFAOYSA-N 0 0 324.192 4.250 50 0 DIAARN CCN(C(=O)c1cccc(OC)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021345464 182272588 /nfs/dbraw/zinc/27/25/88/182272588.db2.gz YHCNFRHHPYBFME-UHFFFAOYSA-N 0 0 313.441 4.126 50 0 DIAARN CCOc1ccc(-c2[nH]nc3c2cnc2ccc(F)cc32)cc1 ZINC000021365416 182272874 /nfs/dbraw/zinc/27/28/74/182272874.db2.gz FLVKOJOMRKNKBG-UHFFFAOYSA-N 0 0 307.328 4.316 50 0 DIAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)C1CC1 ZINC000021362767 182273170 /nfs/dbraw/zinc/27/31/70/182273170.db2.gz ZXWLYZGYJUYIBM-UHFFFAOYSA-N 0 0 304.349 4.357 50 0 DIAARN CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000021715422 182284922 /nfs/dbraw/zinc/28/49/22/182284922.db2.gz GSWKAVYSENRQSD-OAQYLSRUSA-N 0 0 318.420 4.442 50 0 DIAARN Cc1ccc(-c2noc3ncnc(Nc4ccc(F)cc4)c23)cc1 ZINC000021715127 182285000 /nfs/dbraw/zinc/28/50/00/182285000.db2.gz ZHMDVPBPWUSGRG-UHFFFAOYSA-N 0 0 320.327 4.476 50 0 DIAARN CCCc1cc([C@@H]2CCCN2Cc2ccc(OCC)cc2)no1 ZINC000021720492 182285842 /nfs/dbraw/zinc/28/58/42/182285842.db2.gz UXYIRAZHOPWFSH-IBGZPJMESA-N 0 0 314.429 4.363 50 0 DIAARN CCCc1cc([C@H]2CCCN2Cc2ccc(F)c(F)c2)no1 ZINC000021719752 182286659 /nfs/dbraw/zinc/28/66/59/182286659.db2.gz YYDXNICIUXWLLJ-QGZVFWFLSA-N 0 0 306.356 4.242 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2Cc2cc(F)ccc2F)no1 ZINC000021720149 182286037 /nfs/dbraw/zinc/28/60/37/182286037.db2.gz AOYMUGUVMWZTCK-MRXNPFEDSA-N 0 0 306.356 4.413 50 0 DIAARN Cc1cccc(Nc2cc(C(=O)Nc3ccccc3)ccn2)c1 ZINC000021533599 182278937 /nfs/dbraw/zinc/27/89/37/182278937.db2.gz MQOJQDFXERCZDA-UHFFFAOYSA-N 0 0 303.365 4.386 50 0 DIAARN CC(C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000021536271 182278953 /nfs/dbraw/zinc/27/89/53/182278953.db2.gz RVNBCBRSXVZLJH-KRWDZBQOSA-N 0 0 306.409 4.072 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)c1ncoc1-c1ccco1 ZINC000021642064 182281857 /nfs/dbraw/zinc/28/18/57/182281857.db2.gz AVWYLPXMVFCKLY-UHFFFAOYSA-N 0 0 302.717 4.149 50 0 DIAARN CCOC(=O)c1cnc(Nc2ccccc2C)c2ccccc12 ZINC000021650181 182281963 /nfs/dbraw/zinc/28/19/63/182281963.db2.gz HUMYYOGJJBXLCR-UHFFFAOYSA-N 0 0 306.365 4.464 50 0 DIAARN CC(CNC(=O)[C@H]1CC=CCC1)(c1ccccc1)c1ccccc1 ZINC000021669813 182283371 /nfs/dbraw/zinc/28/33/71/182283371.db2.gz MUCLXMMZVVRVHY-SFHVURJKSA-N 0 0 319.448 4.465 50 0 DIAARN CCCCN(CC)C(=O)c1ccc(-c2ccc(F)cc2)nc1 ZINC000021707203 182284256 /nfs/dbraw/zinc/28/42/56/182284256.db2.gz JGGOLMYITQBQFI-UHFFFAOYSA-N 0 0 300.377 4.150 50 0 DIAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)no1 ZINC000021790763 182288851 /nfs/dbraw/zinc/28/88/51/182288851.db2.gz JDORNVRAUPBVGC-OAHLLOKOSA-N 0 0 318.804 4.429 50 0 DIAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000021787811 182288976 /nfs/dbraw/zinc/28/89/76/182288976.db2.gz ZAEDMAQFPVZKKI-UHFFFAOYSA-N 0 0 324.355 4.028 50 0 DIAARN O=C(c1cccc(Cl)c1)N(Cc1ccco1)c1ccccn1 ZINC000021786843 182289152 /nfs/dbraw/zinc/28/91/52/182289152.db2.gz XVPKWTHRIZAHJJ-UHFFFAOYSA-N 0 0 312.756 4.175 50 0 DIAARN CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1C ZINC000021797943 182290140 /nfs/dbraw/zinc/29/01/40/182290140.db2.gz GMSVMZCLIPJMAW-UHFFFAOYSA-N 0 0 314.392 4.438 50 0 DIAARN Cc1ccc(O)c(-c2ccnc3cc(-c4ccccc4)nn32)c1 ZINC000021729241 182287083 /nfs/dbraw/zinc/28/70/83/182287083.db2.gz HXZVEOFJJTVVBV-UHFFFAOYSA-N 0 0 301.349 4.077 50 0 DIAARN C[C@H](NC(=O)C1CCCCC1)c1cccc(Br)c1 ZINC000022251155 182315464 /nfs/dbraw/zinc/31/54/64/182315464.db2.gz JZDKWMWAJVIBJE-NSHDSACASA-N 0 0 310.235 4.207 50 0 DIAARN CCC[C@@H]1CCc2c(sc(NC(=O)CC)c2C(=O)OCC)C1 ZINC000022321206 182317529 /nfs/dbraw/zinc/31/75/29/182317529.db2.gz KWJJLMSFEJGVAS-LLVKDONJSA-N 0 0 323.458 4.178 50 0 DIAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(CC)CC ZINC000022318228 182317658 /nfs/dbraw/zinc/31/76/58/182317658.db2.gz BLXGOENKBVSJEP-UHFFFAOYSA-N 0 0 311.447 4.423 50 0 DIAARN CCC[C@H](C)C(=O)Nc1sc(C(C)C)cc1C(=O)OCC ZINC000022318059 182317853 /nfs/dbraw/zinc/31/78/53/182317853.db2.gz YINZFQNKEBSBCU-NSHDSACASA-N 0 0 311.447 4.423 50 0 DIAARN CC(C)C[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022326723 182318288 /nfs/dbraw/zinc/31/82/88/182318288.db2.gz VPKAARWRSGNIMK-NSHDSACASA-N 0 0 306.793 4.159 50 0 DIAARN CCc1cccc2c3c([nH]c21)CC[C@H](NC(=O)[C@H]1CC=CCC1)C3 ZINC000022331676 182319001 /nfs/dbraw/zinc/31/90/01/182319001.db2.gz RHALYAJGDMMTJM-HOTGVXAUSA-N 0 0 322.452 4.060 50 0 DIAARN O=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1cccs1 ZINC000022370745 182319904 /nfs/dbraw/zinc/31/99/04/182319904.db2.gz OWJBBLJONHJPKU-UHFFFAOYSA-N 0 0 315.394 4.096 50 0 DIAARN Cc1ccc(CCC(=O)N2CCc3sccc3[C@H]2C)c(C)c1 ZINC000022185856 182312297 /nfs/dbraw/zinc/31/22/97/182312297.db2.gz GIISPCNXOHTKQW-OAHLLOKOSA-N 0 0 313.466 4.443 50 0 DIAARN COc1ccc(-c2ccnc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000022607292 182327949 /nfs/dbraw/zinc/32/79/49/182327949.db2.gz NCLDHLZWISTMTB-UHFFFAOYSA-N 0 0 315.376 4.380 50 0 DIAARN C[C@@H]1CCCN1C(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022634663 182329326 /nfs/dbraw/zinc/32/93/26/182329326.db2.gz PQDVTKTVMVNWDF-CYBMUJFWSA-N 0 0 306.365 4.119 50 0 DIAARN C[C@H]1CCCN(C(=O)c2cc(-c3ccc4ccccc4c3)on2)C1 ZINC000022641964 182329875 /nfs/dbraw/zinc/32/98/75/182329875.db2.gz BRYUIHWWNICDLY-AWEZNQCLSA-N 0 0 320.392 4.367 50 0 DIAARN Cc1ccccc1[C@H](C)NC(=O)NCC1(c2ccccc2)CC1 ZINC000022427141 182321257 /nfs/dbraw/zinc/32/12/57/182321257.db2.gz BUVWLJDPJRZIPL-INIZCTEOSA-N 0 0 308.425 4.087 50 0 DIAARN CCCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022878378 182339200 /nfs/dbraw/zinc/33/92/00/182339200.db2.gz MUNVXDGIYZPCMM-ZENHMJIWSA-N 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O=C(CSCCc1ccccc1)Nc1ccc(F)cc1Cl ZINC000024834162 182391986 /nfs/dbraw/zinc/39/19/86/182391986.db2.gz CJMCROFEHROFOU-UHFFFAOYSA-N 0 0 323.820 4.394 50 0 DIAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000024475374 182381487 /nfs/dbraw/zinc/38/14/87/182381487.db2.gz RRFSSPXSIYIAKV-RDTXWAMCSA-N 0 0 308.425 4.366 50 0 DIAARN Cc1ccccc1[C@@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000024518934 182382574 /nfs/dbraw/zinc/38/25/74/182382574.db2.gz BFMGUSOGKFBVQE-CABCVRRESA-N 0 0 307.397 4.457 50 0 DIAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2 ZINC000024578179 182384143 /nfs/dbraw/zinc/38/41/43/182384143.db2.gz GKFCAEMVELSWKU-UHFFFAOYSA-N 0 0 319.326 4.124 50 0 DIAARN C[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2)c2ccccc2S1 ZINC000024585472 182384510 /nfs/dbraw/zinc/38/45/10/182384510.db2.gz DYMYZRPSPMEQST-LLVKDONJSA-N 0 0 319.376 4.496 50 0 DIAARN CC(C)NC(=S)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024633010 182385666 /nfs/dbraw/zinc/38/56/66/182385666.db2.gz QELRLMFJTWGIBY-GOSISDBHSA-N 0 0 324.449 4.395 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DIAARN CC[C@@H](C)n1nccc1NC(=O)/C=C\c1cccc2cccnc12 ZINC000098054332 193778175 /nfs/dbraw/zinc/77/81/75/193778175.db2.gz RMSVEMZSTZMCLX-CFYYFVFUSA-N 0 0 320.396 4.054 50 0 DIAARN Fc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 ZINC000025360087 182411062 /nfs/dbraw/zinc/41/10/62/182411062.db2.gz BIEJCKPRPLZKDE-QGZVFWFLSA-N 0 0 323.371 4.213 50 0 DIAARN O=C(N[C@@H](c1cccs1)c1ccccc1)c1cc(Cl)c[nH]1 ZINC000025604693 182417663 /nfs/dbraw/zinc/41/76/63/182417663.db2.gz OJIVRLAILJTMCO-OAHLLOKOSA-N 0 0 316.813 4.249 50 0 DIAARN Cc1[nH]c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2c1C ZINC000026567557 182445769 /nfs/dbraw/zinc/44/57/69/182445769.db2.gz RRDOOMUJLVYPGP-UHFFFAOYSA-N 0 0 314.414 4.012 50 0 DIAARN O=C(NCc1ccccc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000027351537 182470385 /nfs/dbraw/zinc/47/03/85/182470385.db2.gz VSFFWRNJMXIOBD-UHFFFAOYSA-N 0 0 307.353 4.027 50 0 DIAARN COc1cccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000029239899 182557972 /nfs/dbraw/zinc/55/79/72/182557972.db2.gz LTZHHLFGHYSWAG-NSHDSACASA-N 0 0 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/nfs/dbraw/zinc/69/46/58/182694658.db2.gz OLLUOEOBZJHMQQ-UHFFFAOYSA-N 0 0 322.389 4.265 50 0 DIAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(CC)cc3)cc2)no1 ZINC000033254209 182697633 /nfs/dbraw/zinc/69/76/33/182697633.db2.gz NVCDPAOSKCBHSC-UHFFFAOYSA-N 0 0 321.380 4.114 50 0 DIAARN Cc1ccccc1NC(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254298 182697664 /nfs/dbraw/zinc/69/76/64/182697664.db2.gz OHXXJQVNWUVUJP-UHFFFAOYSA-N 0 0 319.364 4.175 50 0 DIAARN O=C(/C=C\c1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000033316748 182703056 /nfs/dbraw/zinc/70/30/56/182703056.db2.gz SLTPJGWKMQUFDM-HJWRWDBZSA-N 0 0 311.450 4.243 50 0 DIAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2c(F)cccc2F)on1 ZINC000033270022 182699033 /nfs/dbraw/zinc/69/90/33/182699033.db2.gz JIAHVZQSYBYOFW-CQSZACIVSA-N 0 0 320.339 4.054 50 0 DIAARN Cc1cccc(NC(=O)/C=C\c2ccc(Br)cc2)c1 ZINC000033305756 182702115 /nfs/dbraw/zinc/70/21/15/182702115.db2.gz KVOJYQDFJPFQHN-YFHOEESVSA-N 0 0 316.198 4.409 50 0 DIAARN O=C1Nc2ccccc2[C@H]1Cc1ccc(OC2CCCC2)cc1 ZINC000101016679 193806796 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CCC(C)(C)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000040082077 183032292 /nfs/dbraw/zinc/03/22/92/183032292.db2.gz WPHQINVWEPHTMZ-UHFFFAOYSA-N 0 0 311.425 4.427 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(CN(Cc2nnsc2Cl)C2CC2)o1 ZINC000040088683 183032928 /nfs/dbraw/zinc/03/29/28/183032928.db2.gz YLMDNBKRZMTXCV-BXKDBHETSA-N 0 0 323.849 4.073 50 0 DIAARN CCN(Cc1cccc(F)c1)C(=O)Nc1cc(C)ccc1C ZINC000040095006 183033437 /nfs/dbraw/zinc/03/34/37/183033437.db2.gz IYPSFRVQPPCGMD-UHFFFAOYSA-N 0 0 300.377 4.497 50 0 DIAARN Cc1ccccc1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000040095999 183034313 /nfs/dbraw/zinc/03/43/13/183034313.db2.gz HZLNFSBNCSJRBA-UHFFFAOYSA-N 0 0 308.303 4.336 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000040096160 183034358 /nfs/dbraw/zinc/03/43/58/183034358.db2.gz MELWHWKTPWYQJO-SNVBAGLBSA-N 0 0 308.765 4.133 50 0 DIAARN Cc1ccc(NC(=O)N2CCCCCC2)c(Br)c1 ZINC000040098526 183034927 /nfs/dbraw/zinc/03/49/27/183034927.db2.gz SPMXLRLVYSBBGI-UHFFFAOYSA-N 0 0 311.223 4.165 50 0 DIAARN CCc1cccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC000040098811 183035014 /nfs/dbraw/zinc/03/50/14/183035014.db2.gz RJGVKEVWLSHYEP-UHFFFAOYSA-N 0 0 304.340 4.191 50 0 DIAARN Cc1ccc2[nH]c(C(=O)Nc3ccc(N(C)C)cc3C)cc2c1 ZINC000040111619 183036832 /nfs/dbraw/zinc/03/68/32/183036832.db2.gz LNDSEYPHZJEZPF-UHFFFAOYSA-N 0 0 307.397 4.103 50 0 DIAARN CN(c1ccccc1)c1ccccc1C(=O)Nc1nccs1 ZINC000040119749 183037726 /nfs/dbraw/zinc/03/77/26/183037726.db2.gz HRLYIVRAAOGJOJ-UHFFFAOYSA-N 0 0 309.394 4.163 50 0 DIAARN C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 ZINC000040120523 183037824 /nfs/dbraw/zinc/03/78/24/183037824.db2.gz GRZHFTZCQTTWGU-LLVKDONJSA-N 0 0 306.312 4.171 50 0 DIAARN O=C(CCCc1cccs1)Nc1cccc(OC(F)F)c1 ZINC000040121335 183038712 /nfs/dbraw/zinc/03/87/12/183038712.db2.gz UFUVWWFHVCVJAG-UHFFFAOYSA-N 0 0 311.353 4.311 50 0 DIAARN O=c1[nH]c(C(Cl)=Cc2cc(F)ccc2F)nc2ccccc12 ZINC000040139658 183039097 /nfs/dbraw/zinc/03/90/97/183039097.db2.gz JPXONTCPXPAOEC-WQLSENKSSA-N 0 0 318.710 4.351 50 0 DIAARN O[C@H](CSCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000040134564 183039124 /nfs/dbraw/zinc/03/91/24/183039124.db2.gz SNWHEOQUFBTZMY-MRXNPFEDSA-N 0 0 311.406 4.308 50 0 DIAARN COCCCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 ZINC000040134243 183039168 /nfs/dbraw/zinc/03/91/68/183039168.db2.gz DONXQNBYGKQLOI-UHFFFAOYSA-N 0 0 318.442 4.299 50 0 DIAARN CCc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1C(C)(C)C ZINC000040143301 183039188 /nfs/dbraw/zinc/03/91/88/183039188.db2.gz KRAUROKKDNTGDM-UHFFFAOYSA-N 0 0 323.799 4.245 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)o1 ZINC000040139475 183039503 /nfs/dbraw/zinc/03/95/03/183039503.db2.gz DDGLXBSMVNCDAR-CHWSQXEVSA-N 0 0 304.415 4.257 50 0 DIAARN c1csc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000040460674 183070263 /nfs/dbraw/zinc/07/02/63/183070263.db2.gz YPHZNAAIBIVDRG-AWEZNQCLSA-N 0 0 311.410 4.135 50 0 DIAARN Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000040477700 183075758 /nfs/dbraw/zinc/07/57/58/183075758.db2.gz UAFAOYZEHHPKNP-LBPRGKRZSA-N 0 0 303.793 4.235 50 0 DIAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000040525208 183091897 /nfs/dbraw/zinc/09/18/97/183091897.db2.gz AUJMQYGXYYNZER-LBPRGKRZSA-N 0 0 300.324 4.110 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000040525630 183091918 /nfs/dbraw/zinc/09/19/18/183091918.db2.gz COYMEXACZIVVPP-INIZCTEOSA-N 0 0 315.804 4.412 50 0 DIAARN c1ccc2c(c1)nc(N1CCCCCC1)nc2N1CCCCCC1 ZINC000041149421 183177978 /nfs/dbraw/zinc/17/79/78/183177978.db2.gz PWMOULKZUNGFEF-UHFFFAOYSA-N 0 0 324.472 4.391 50 0 DIAARN CCCc1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041122788 183168349 /nfs/dbraw/zinc/16/83/49/183168349.db2.gz HSDHLRRSYIUURE-OAHLLOKOSA-N 0 0 319.449 4.046 50 0 DIAARN COc1ccccc1OCCCn1c(C)nc2cc(C)c(C)cc21 ZINC000041146173 183176162 /nfs/dbraw/zinc/17/61/62/183176162.db2.gz HJSDLCLZYGYFSE-UHFFFAOYSA-N 0 0 324.424 4.439 50 0 DIAARN COc1ccc(F)cc1COc1ccc(Br)cc1 ZINC000041546424 183201782 /nfs/dbraw/zinc/20/17/82/183201782.db2.gz BMJFDTYQKPDQER-UHFFFAOYSA-N 0 0 311.150 4.176 50 0 DIAARN CCCCC(=O)Nc1cc(C(=O)c2ccccc2)ccc1OC ZINC000041365874 183186654 /nfs/dbraw/zinc/18/66/54/183186654.db2.gz MEZRGKGMNKSANC-UHFFFAOYSA-N 0 0 311.381 4.055 50 0 DIAARN O=C(NCc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000042418622 183267035 /nfs/dbraw/zinc/26/70/35/183267035.db2.gz QAKLFFYRYQHLEN-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN S=c1[nH]c2cccc(Cl)c2n1CCOc1ccccc1 ZINC000042897236 183317166 /nfs/dbraw/zinc/31/71/66/183317166.db2.gz NQPSESWRZMISKW-UHFFFAOYSA-N 0 0 304.802 4.431 50 0 DIAARN CCN(Cc1ccccc1)c1cc(C)c(Br)cn1 ZINC000042783510 183309238 /nfs/dbraw/zinc/30/92/38/183309238.db2.gz ZENIPTNXSTZNMP-UHFFFAOYSA-N 0 0 305.219 4.179 50 0 DIAARN CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000042783539 183309392 /nfs/dbraw/zinc/30/93/92/183309392.db2.gz YFZCQVQVIOVPFM-UHFFFAOYSA-N 0 0 300.711 4.390 50 0 DIAARN O=C(NCCSc1ccccc1)Nc1cccc2cnccc21 ZINC000043162171 183342193 /nfs/dbraw/zinc/34/21/93/183342193.db2.gz XJNSOBQNQOOFCS-UHFFFAOYSA-N 0 0 323.421 4.149 50 0 DIAARN CC(=O)Oc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000043209989 183344030 /nfs/dbraw/zinc/34/40/30/183344030.db2.gz BQRPODSQINSLNZ-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CC(=O)Oc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1 ZINC000043209985 183344256 /nfs/dbraw/zinc/34/42/56/183344256.db2.gz TVVOHCKPUMLKEE-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CC(=O)Oc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000043209983 183344346 /nfs/dbraw/zinc/34/43/46/183344346.db2.gz JTDAYFLJPGBDNJ-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN CC(=O)Oc1ccccc1C(=O)c1c(Cl)cccc1Cl ZINC000043209805 183344418 /nfs/dbraw/zinc/34/44/18/183344418.db2.gz UKUTWPUUEWSRGN-UHFFFAOYSA-N 0 0 309.148 4.150 50 0 DIAARN C=Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000043220488 183345336 /nfs/dbraw/zinc/34/53/36/183345336.db2.gz PKNWHAWRYMDXIF-UHFFFAOYSA-N 0 0 303.402 4.108 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)no1 ZINC000043356919 183356348 /nfs/dbraw/zinc/35/63/48/183356348.db2.gz LSRBIZKZUHLJEI-HNNXBMFYSA-N 0 0 319.792 4.314 50 0 DIAARN Cc1cccc(C)c1NC(=O)NCCSc1ccccc1 ZINC000043358237 183357571 /nfs/dbraw/zinc/35/75/71/183357571.db2.gz CTIABZUOBDKRBY-UHFFFAOYSA-N 0 0 300.427 4.217 50 0 DIAARN C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccs1 ZINC000043485842 183366772 /nfs/dbraw/zinc/36/67/72/183366772.db2.gz CTQSCQIPQXKXLW-ZDUSSCGKSA-N 0 0 315.442 4.231 50 0 DIAARN Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)s1 ZINC000043500225 183367486 /nfs/dbraw/zinc/36/74/86/183367486.db2.gz ALPGVRONHSSUIS-UHFFFAOYSA-N 0 0 313.344 4.348 50 0 DIAARN CC(C)CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000043675497 183379264 /nfs/dbraw/zinc/37/92/64/183379264.db2.gz HBWCLAAJBLXHIF-CQSZACIVSA-N 0 0 319.449 4.227 50 0 DIAARN CC(C)(C)c1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000043760054 183385240 /nfs/dbraw/zinc/38/52/40/183385240.db2.gz OQIRKMVMVLOGIF-UHFFFAOYSA-N 0 0 303.352 4.192 50 0 DIAARN C[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000043881894 183388560 /nfs/dbraw/zinc/38/85/60/183388560.db2.gz XLNHOWUOPDSOEI-MRVPVSSYSA-N 0 0 312.266 4.126 50 0 DIAARN CCC(=O)Nc1cccc(NC(=O)NCCC2=CCCCC2)c1 ZINC000044106516 183394991 /nfs/dbraw/zinc/39/49/91/183394991.db2.gz XMSRZBURXPDQDP-UHFFFAOYSA-N 0 0 315.417 4.047 50 0 DIAARN CCOC(=O)CC[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000044125881 183395836 /nfs/dbraw/zinc/39/58/36/183395836.db2.gz WROSQPLRMYAMJU-OAHLLOKOSA-N 0 0 303.789 4.210 50 0 DIAARN Fc1ccccc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000044656619 183430795 /nfs/dbraw/zinc/43/07/95/183430795.db2.gz PFVKJCPLHNTVRI-UHFFFAOYSA-N 0 0 304.708 4.108 50 0 DIAARN CCc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000044837596 183441325 /nfs/dbraw/zinc/44/13/25/183441325.db2.gz JWVPQDWTIKGYJL-UHFFFAOYSA-N 0 0 305.381 4.200 50 0 DIAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1 ZINC000045901456 183535173 /nfs/dbraw/zinc/53/51/73/183535173.db2.gz ILVVLYSZRLYWTF-UHFFFAOYSA-N 0 0 321.380 4.247 50 0 DIAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1ccccc1 ZINC000045901570 183535246 /nfs/dbraw/zinc/53/52/46/183535246.db2.gz NRLYFYBMCLRYBG-UHFFFAOYSA-N 0 0 321.380 4.330 50 0 DIAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)c(C)c1 ZINC000045900988 183535534 /nfs/dbraw/zinc/53/55/34/183535534.db2.gz VYWIMLLGRQTXGF-UHFFFAOYSA-N 0 0 321.380 4.167 50 0 DIAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000046018377 183543164 /nfs/dbraw/zinc/54/31/64/183543164.db2.gz MNERYFZHHDADMV-KRWDZBQOSA-N 0 0 310.397 4.373 50 0 DIAARN Cc1ccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000045951925 183539296 /nfs/dbraw/zinc/53/92/96/183539296.db2.gz BXKWPNNOEDRYFA-GFCCVEGCSA-N 0 0 320.339 4.479 50 0 DIAARN Cc1ccc(CN(C)C(=O)c2cc3ccc(C(C)C)cc3[nH]2)o1 ZINC000048289053 183638548 /nfs/dbraw/zinc/63/85/48/183638548.db2.gz VHTMWIXXHSQPAN-UHFFFAOYSA-N 0 0 310.397 4.465 50 0 DIAARN Cc1cccc(C(=O)N2CCC(Nc3ccccc3)CC2)c1C ZINC000048292071 183639982 /nfs/dbraw/zinc/63/99/82/183639982.db2.gz RCPRASLJROYJCX-UHFFFAOYSA-N 0 0 308.425 4.020 50 0 DIAARN Nc1nc(Cl)cc(Oc2ccc(Cl)c3ccccc23)n1 ZINC000048424914 183657966 /nfs/dbraw/zinc/65/79/66/183657966.db2.gz CTNFEPIINHMEFE-UHFFFAOYSA-N 0 0 306.152 4.311 50 0 DIAARN O[C@H](Cn1cnc2ccccc21)c1cc(Cl)ccc1Cl ZINC000048543749 183664280 /nfs/dbraw/zinc/66/42/80/183664280.db2.gz SLTMYMGYYAUYDO-OAHLLOKOSA-N 0 0 307.180 4.077 50 0 DIAARN Cc1sc2ncnc(SCc3noc(C(C)C)n3)c2c1C ZINC000052888759 183878753 /nfs/dbraw/zinc/87/87/53/183878753.db2.gz TZANSJXFYWQRQA-UHFFFAOYSA-N 0 0 320.443 4.107 50 0 DIAARN CCc1nc(C)c(CN(Cc2ccsc2)Cc2ccco2)[nH]1 ZINC000055403056 183985406 /nfs/dbraw/zinc/98/54/06/183985406.db2.gz PRDBALDWOBLKEA-UHFFFAOYSA-N 0 0 315.442 4.137 50 0 DIAARN Cc1nc(C)c([C@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1 ZINC000056487756 184013147 /nfs/dbraw/zinc/01/31/47/184013147.db2.gz WXZCVSXJPQLUOQ-KOLCDFICSA-N 0 0 321.421 4.020 50 0 DIAARN C[C@H](c1ccco1)N(C(=O)Cc1cccc2cccnc21)C1CC1 ZINC000056183381 184006386 /nfs/dbraw/zinc/00/63/86/184006386.db2.gz CNTPELBWTNWNSF-CQSZACIVSA-N 0 0 320.392 4.123 50 0 DIAARN C[C@@H](c1ccco1)N(C(=O)Cc1cccc2cccnc21)C1CC1 ZINC000056183380 184006653 /nfs/dbraw/zinc/00/66/53/184006653.db2.gz CNTPELBWTNWNSF-AWEZNQCLSA-N 0 0 320.392 4.123 50 0 DIAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1ccncc1 ZINC000056383510 184012135 /nfs/dbraw/zinc/01/21/35/184012135.db2.gz IIAOLBAHRDUGKY-OLZOCXBDSA-N 0 0 317.820 4.199 50 0 DIAARN CCCOc1ccc(NC(=O)N[C@H](C)c2cccnc2)c(C)c1 ZINC000056747453 184018776 /nfs/dbraw/zinc/01/87/76/184018776.db2.gz MKYPJJDMQAUQHE-CQSZACIVSA-N 0 0 313.401 4.062 50 0 DIAARN C[C@@H](NC(=O)CSCCCc1ccccc1)c1ccccc1 ZINC000057686146 184046465 /nfs/dbraw/zinc/04/64/65/184046465.db2.gz ITIPFMUCQMJFNA-MRXNPFEDSA-N 0 0 313.466 4.230 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412291 184037534 /nfs/dbraw/zinc/03/75/34/184037534.db2.gz NUIRZLIXWFTYAT-UHFFFAOYSA-N 0 0 315.735 4.122 50 0 DIAARN O=C(CSCc1ccc(Cl)cc1)NC[C@@H]1CC=CCC1 ZINC000058049344 184071282 /nfs/dbraw/zinc/07/12/82/184071282.db2.gz WMJXBHQFBFXJRX-CYBMUJFWSA-N 0 0 309.862 4.046 50 0 DIAARN Cc1ccc(NC(=O)NC[C@H](Nc2ccccc2)C(C)C)cc1 ZINC000058053493 184071766 /nfs/dbraw/zinc/07/17/66/184071766.db2.gz WXGITQSRPDDTSP-SFHVURJKSA-N 0 0 311.429 4.253 50 0 DIAARN Cc1ccc(CN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C2CC2)o1 ZINC000057996391 184065357 /nfs/dbraw/zinc/06/53/57/184065357.db2.gz HWPNBZAUYJVVDU-UHFFFAOYSA-N 0 0 322.408 4.491 50 0 DIAARN Cc1ccc(C)c(C[S@](=O)Cc2nc3ccccc3s2)c1 ZINC000057991770 184065641 /nfs/dbraw/zinc/06/56/41/184065641.db2.gz GHFDIEKURGPLTR-OAQYLSRUSA-N 0 0 315.463 4.362 50 0 DIAARN CCCN(CCC)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000058010522 184066844 /nfs/dbraw/zinc/06/68/44/184066844.db2.gz BHNVYPODIDCFJV-UHFFFAOYSA-N 0 0 301.390 4.359 50 0 DIAARN CC(C)CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000058017458 184067844 /nfs/dbraw/zinc/06/78/44/184067844.db2.gz VHERMOQOBYRODS-QWRGUYRKSA-N 0 0 303.855 4.030 50 0 DIAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(C)=O)c[nH]1 ZINC000058218137 184089724 /nfs/dbraw/zinc/08/97/24/184089724.db2.gz STEADCDEEZWMPR-IEBWSBKVSA-N 0 0 324.424 4.016 50 0 DIAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccc[nH]1 ZINC000058223340 184090293 /nfs/dbraw/zinc/09/02/93/184090293.db2.gz 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333026117 /nfs/dbraw/zinc/02/61/17/333026117.db2.gz LXDKYTFSQKOXMN-KGLIPLIRSA-N 0 0 320.433 4.179 50 0 DIAARN C[C@@H](c1ccc(-c2cccc(F)c2C(=O)[O-])cc1)[NH+]1CCCC1 ZINC000534643811 334306218 /nfs/dbraw/zinc/30/62/18/334306218.db2.gz CRRFSNNCVXTEHA-ZDUSSCGKSA-N 0 0 313.372 4.348 50 0 DIAARN Cc1cc(-c2cccc(C(=O)N3CCCCCC3)c2)c(=O)[nH]c1C ZINC000534633987 334308554 /nfs/dbraw/zinc/30/85/54/334308554.db2.gz YCMBQGJDEGKCQK-UHFFFAOYSA-N 0 0 324.424 4.087 50 0 DIAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000534638610 334310285 /nfs/dbraw/zinc/31/02/85/334310285.db2.gz VHAAXIUSVVXYJO-MRXNPFEDSA-N 0 0 320.795 4.391 50 0 DIAARN Cc1cc(C(=O)Nc2ccnn2C(C)(C)C)c2nccc(C)c2c1 ZINC000331943511 336153887 /nfs/dbraw/zinc/15/38/87/336153887.db2.gz MLMNCPPJOWXJSD-UHFFFAOYSA-N 0 0 322.412 4.055 50 0 DIAARN O=C(c1cc(O)ccc1Cl)N1CCCC[C@@H]1c1ccco1 ZINC000331983870 336155190 /nfs/dbraw/zinc/15/51/90/336155190.db2.gz YKIKOVJPDOWRSI-CQSZACIVSA-N 0 0 305.761 4.006 50 0 DIAARN O=C(O[C@@H]1CCC[C@@H](OC(=O)c2ccccc2)C1)c1ccccc1 ZINC000000400534 336220226 /nfs/dbraw/zinc/22/02/26/336220226.db2.gz LUHWFDHJAVCJAJ-QZTJIDSGSA-N 0 0 324.376 4.012 50 0 DIAARN Cc1cc(C)c(C(=O)N(C(C)C)[C@H]2CCCc3cccnc32)o1 ZINC000367191455 336493230 /nfs/dbraw/zinc/49/32/30/336493230.db2.gz MFMOEYJXDBXOIY-INIZCTEOSA-N 0 0 312.413 4.220 50 0 DIAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000012780102 337259518 /nfs/dbraw/zinc/25/95/18/337259518.db2.gz SDJIPEMPBMOLKX-AWEZNQCLSA-N 0 0 322.408 4.284 50 0 DIAARN Clc1ccc(-c2cnn3ccc(-c4cccnc4)nc23)cc1 ZINC000071405481 337366899 /nfs/dbraw/zinc/36/68/99/337366899.db2.gz ZEBBPGYSLZZSKF-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN CCOc1cccc2cc([C@H](C)NCc3nc(C)c(C)o3)oc21 ZINC000097374134 337382676 /nfs/dbraw/zinc/38/26/76/337382676.db2.gz WQVVTDRDCNMQTH-LBPRGKRZSA-N 0 0 314.385 4.287 50 0 DIAARN CCOc1cccc2cc([C@@H](C)NCc3nc(C)c(C)o3)oc21 ZINC000097374132 337382753 /nfs/dbraw/zinc/38/27/53/337382753.db2.gz WQVVTDRDCNMQTH-GFCCVEGCSA-N 0 0 314.385 4.287 50 0 DIAARN CCc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)cc1 ZINC000473690854 339390496 /nfs/dbraw/zinc/39/04/96/339390496.db2.gz QHNCHBRDBPTQCX-XDJHFCHBSA-N 0 0 316.404 4.116 50 0 DIAARN Cc1ccc(C[C@H](C)NC(=O)c2cc(C)nc3ccccc32)s1 ZINC000523148916 340616948 /nfs/dbraw/zinc/61/69/48/340616948.db2.gz FEUKXYIRXOOODJ-LBPRGKRZSA-N 0 0 324.449 4.274 50 0 DIAARN Cc1ccc(S(=O)(=O)[C@H](C)c2ncc(C(C)(C)C)o2)c(C)c1 ZINC000177506828 341920530 /nfs/dbraw/zinc/92/05/30/341920530.db2.gz XRSJLIRTQWRYDW-CYBMUJFWSA-N 0 0 321.442 4.124 50 0 DIAARN CC[C@@H](C)c1ccccc1OC[C@@H](O)CSc1ccccn1 ZINC000016839865 522435289 /nfs/dbraw/zinc/43/52/89/522435289.db2.gz CYLFCYUGWXBBNM-HUUCEWRRSA-N 0 0 317.454 4.127 50 0 DIAARN CC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000000267989 534778922 /nfs/dbraw/zinc/77/89/22/534778922.db2.gz MADSTIMKHBTMDS-KUHUBIRLSA-N 0 0 323.392 4.038 50 0 DIAARN CCN(C(=O)c1nc(Cl)sc1C)c1ccc2[nH]ccc2c1 ZINC000328595148 529103793 /nfs/dbraw/zinc/10/37/93/529103793.db2.gz 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/nfs/dbraw/zinc/94/65/61/563946561.db2.gz VQFKZKYEEUDGLN-UHFFFAOYSA-N 0 0 320.464 4.236 50 0 DIAARN Cc1cc(C(F)(F)F)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000000124720 563221227 /nfs/dbraw/zinc/22/12/27/563221227.db2.gz IBUWEERARHZDIY-UHFFFAOYSA-N 0 0 311.694 4.377 50 0 DIAARN CC[C@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1 ZINC000000299346 563237929 /nfs/dbraw/zinc/23/79/29/563237929.db2.gz CHXFMVVYBXJKOW-ZDUSSCGKSA-N 0 0 306.818 4.244 50 0 DIAARN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000000370820 563246487 /nfs/dbraw/zinc/24/64/87/563246487.db2.gz RTYCNJKPIVUEGN-MRXNPFEDSA-N 0 0 323.845 4.078 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000000439936 563253719 /nfs/dbraw/zinc/25/37/19/563253719.db2.gz CNEKNKZIRBWULD-SNVBAGLBSA-N 0 0 310.180 4.399 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000000555059 563266007 /nfs/dbraw/zinc/26/60/07/563266007.db2.gz RBJRICLDMYBHAC-HNNXBMFYSA-N 0 0 303.471 4.482 50 0 DIAARN Cc1cc(C)cc(NC(=S)NC(=O)c2ccccc2Cl)c1 ZINC000000455632 563257891 /nfs/dbraw/zinc/25/78/91/563257891.db2.gz VCTXQJZNNGUXPD-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN COc1cccc(CCC(=O)c2ccc(Br)cc2)c1 ZINC000002516506 563306779 /nfs/dbraw/zinc/30/67/79/563306779.db2.gz NVXDPPMWAKSTBG-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN COc1cccc(C(=O)CCc2ccc(Br)cc2)c1 ZINC000002516749 563306783 /nfs/dbraw/zinc/30/67/83/563306783.db2.gz NGWVLSASVXCWON-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN O=C(CCc1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000002517881 563307205 /nfs/dbraw/zinc/30/72/05/563307205.db2.gz MZPRDHGUZOIFEE-UHFFFAOYSA-N 0 0 318.216 4.337 50 0 DIAARN CCn1c(SCc2cccc(F)c2)nnc1-c1cccs1 ZINC000002542409 563308318 /nfs/dbraw/zinc/30/83/18/563308318.db2.gz NJGARHJZZUJNQH-UHFFFAOYSA-N 0 0 319.430 4.458 50 0 DIAARN CC(C)C(NC(=O)CSCc1ccc(Cl)cc1)C(C)C ZINC000002994640 563320309 /nfs/dbraw/zinc/32/03/09/563320309.db2.gz ARVYDOLELRAKMR-UHFFFAOYSA-N 0 0 313.894 4.370 50 0 DIAARN C[C@@H]1Sc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2OC1=O ZINC000035327025 563326092 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/nfs/dbraw/zinc/21/12/19/563211219.db2.gz JLIFWCWOAKZVNS-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC(C)C ZINC000000030400 563211242 /nfs/dbraw/zinc/21/12/42/563211242.db2.gz NCYYMXUPHPINOC-UHFFFAOYSA-N 0 0 306.793 4.079 50 0 DIAARN C[C@@H]1C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(Cl)cc1 ZINC000000034996 563211264 /nfs/dbraw/zinc/21/12/64/563211264.db2.gz LTOSZYPQROLCCO-FZMZJTMJSA-N 0 0 306.789 4.094 50 0 DIAARN O=C(CCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000000036073 563211318 /nfs/dbraw/zinc/21/13/18/563211318.db2.gz BPCOLXQLBWHUTB-UHFFFAOYSA-N 0 0 316.404 4.244 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2F)c1 ZINC000000044452 563211641 /nfs/dbraw/zinc/21/16/41/563211641.db2.gz UHTRLSQPZAJKKV-UHFFFAOYSA-N 0 0 301.361 4.275 50 0 DIAARN COc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000000050186 563211821 /nfs/dbraw/zinc/21/18/21/563211821.db2.gz XKMDIAALGORORY-UHFFFAOYSA-N 0 0 321.829 4.221 50 0 DIAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000050152 563211847 /nfs/dbraw/zinc/21/18/47/563211847.db2.gz LCHNQDFKEPFHAS-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1C ZINC000000051220 563211849 /nfs/dbraw/zinc/21/18/49/563211849.db2.gz GDQGRONXDWNGBA-UHFFFAOYSA-N 0 0 312.394 4.175 50 0 DIAARN CC(C)COC(=O)N1c2ccccc2C=C[C@H]1OCC(C)C ZINC000000056483 563212041 /nfs/dbraw/zinc/21/20/41/563212041.db2.gz LPBHYOYZZIFCQT-QGZVFWFLSA-N 0 0 303.402 4.311 50 0 DIAARN O=C(c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 ZINC000000060717 563212157 /nfs/dbraw/zinc/21/21/57/563212157.db2.gz DTNCKZCYLUPFQE-UHFFFAOYSA-N 0 0 306.192 4.192 50 0 biogenic,in-vitro DIAARN Cc1cccc(N2C(=O)c3cccc4cccc(c43)C2=O)c1C ZINC000000062898 563212575 /nfs/dbraw/zinc/21/25/75/563212575.db2.gz ZYEGQUPQCCHDBK-UHFFFAOYSA-N 0 0 301.345 4.257 50 0 DIAARN Cc1ccc(-c2nn(CN3CCCCCC3)c(=S)o2)cc1 ZINC000000067167 563212748 /nfs/dbraw/zinc/21/27/48/563212748.db2.gz MHAZCHDVLQKHNJ-UHFFFAOYSA-N 0 0 303.431 4.015 50 0 DIAARN CN(C(=O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000000067936 563212887 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563216394 /nfs/dbraw/zinc/21/63/94/563216394.db2.gz YUIUWELOZNYHNL-RIYZIHGNSA-N 0 0 318.159 4.338 50 0 DIAARN Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000000104176 563217620 /nfs/dbraw/zinc/21/76/20/563217620.db2.gz ZPMDCCRRCRNIAM-UHFFFAOYSA-N 0 0 324.405 4.136 50 0 DIAARN Clc1cccc(Cl)c1-c1noc(CN2CCCCC2)n1 ZINC000000115077 563219172 /nfs/dbraw/zinc/21/91/72/563219172.db2.gz NPLVBOXATNWWCU-UHFFFAOYSA-N 0 0 312.200 4.029 50 0 DIAARN COC(=O)c1c(N)scc1-c1ccc(Cl)c(Cl)c1 ZINC000000115320 563219482 /nfs/dbraw/zinc/21/94/82/563219482.db2.gz BFTSSBFDWAVAHA-UHFFFAOYSA-N 0 0 302.182 4.091 50 0 DIAARN COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000119738 563219910 /nfs/dbraw/zinc/21/99/10/563219910.db2.gz JBDYZCHJHMDHBV-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN COC(=O)c1ccc(O)c(CSc2ccc(Cl)cc2)c1 ZINC000000123579 563220456 /nfs/dbraw/zinc/22/04/56/563220456.db2.gz UBOASHTZQJQLSD-UHFFFAOYSA-N 0 0 308.786 4.125 50 0 DIAARN FC(F)(F)c1ccnc(Oc2ccc(C3=NCCS3)cc2)c1 ZINC000000122008 563220475 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/nfs/dbraw/zinc/22/84/37/563228437.db2.gz JUCHRTZHMFOHRD-CYBMUJFWSA-N 0 0 311.381 4.378 50 0 DIAARN O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccccc1 ZINC000000188673 563229232 /nfs/dbraw/zinc/22/92/32/563229232.db2.gz ZEXVVFNXQGAKBA-UHFFFAOYSA-N 0 0 313.360 4.278 50 0 DIAARN Clc1ccc(OCCn2cnc3ccccc32)c(Cl)c1 ZINC000000195487 563229825 /nfs/dbraw/zinc/22/98/25/563229825.db2.gz DZFVHMKKAOFZBO-UHFFFAOYSA-N 0 0 307.180 4.422 50 0 DIAARN CCOc1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1 ZINC000000198912 563229853 /nfs/dbraw/zinc/22/98/53/563229853.db2.gz DEIIWJBKMXPZLM-UHFFFAOYSA-N 0 0 317.197 4.101 50 0 DIAARN COc1ccccc1NC(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000000205623 563230347 /nfs/dbraw/zinc/23/03/47/563230347.db2.gz WRNFCWYETUYKGZ-LBPRGKRZSA-N 0 0 314.360 4.208 50 0 DIAARN Cc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)s1 ZINC000000211223 563231123 /nfs/dbraw/zinc/23/11/23/563231123.db2.gz BORYSYVEHHRTIQ-UHFFFAOYSA-N 0 0 322.861 4.159 50 0 DIAARN CC(C)Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 ZINC000000248948 563233523 /nfs/dbraw/zinc/23/35/23/563233523.db2.gz CBFVIRWDFSHMLW-UHFFFAOYSA-N 0 0 321.486 4.054 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000000246538 563233565 /nfs/dbraw/zinc/23/35/65/563233565.db2.gz YOFPFOYBCMDYCH-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccco1 ZINC000000258655 563234029 /nfs/dbraw/zinc/23/40/29/563234029.db2.gz NNZDARODPSSTBP-UHFFFAOYSA-N 0 0 320.304 4.046 50 0 DIAARN Cc1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000253052 563234133 /nfs/dbraw/zinc/23/41/33/563234133.db2.gz DHOWWMIRRLDLGM-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN COc1cccc2c1O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000254962 563234255 /nfs/dbraw/zinc/23/42/55/563234255.db2.gz NQVQBIMDDKDYAO-FQEVSTJZSA-N 0 0 307.393 4.225 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000260862 563234269 /nfs/dbraw/zinc/23/42/69/563234269.db2.gz TZSIAQOHLBFQHM-UHFFFAOYSA-N 0 0 310.397 4.195 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000261010 563234489 /nfs/dbraw/zinc/23/44/89/563234489.db2.gz MWMJFSWVSOPMEM-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccco1 ZINC000000261001 563234605 /nfs/dbraw/zinc/23/46/05/563234605.db2.gz MSDONUFVMAPIOO-UHFFFAOYSA-N 0 0 304.305 4.340 50 0 DIAARN O=C(c1c(Cl)cccc1Cl)N1CCc2ccccc2C1 ZINC000000265942 563234688 /nfs/dbraw/zinc/23/46/88/563234688.db2.gz PYYSMUJPGSNBND-UHFFFAOYSA-N 0 0 306.192 4.192 50 0 DIAARN Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000263654 563234711 /nfs/dbraw/zinc/23/47/11/563234711.db2.gz YJEQKQUGPCWGTE-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN O=C(CCC1CCCC1)N1CCc2cc(Br)ccc21 ZINC000000269285 563234820 /nfs/dbraw/zinc/23/48/20/563234820.db2.gz ZVPRPDXLWFWRCA-UHFFFAOYSA-N 0 0 322.246 4.309 50 0 DIAARN CCOc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1 ZINC000000277987 563235094 /nfs/dbraw/zinc/23/50/94/563235094.db2.gz MJENNVWOBDJOFE-UHFFFAOYSA-N 0 0 310.349 4.181 50 0 DIAARN Cc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000000271884 563235444 /nfs/dbraw/zinc/23/54/44/563235444.db2.gz FBRRSOWGQFYGHK-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN O=C(CSCc1ccccn1)Nc1ccc2ccccc2c1 ZINC000000282542 563235939 /nfs/dbraw/zinc/23/59/39/563235939.db2.gz YDLQWCFHOBDJBW-UHFFFAOYSA-N 0 0 308.406 4.107 50 0 DIAARN Cc1ccc(NC(=O)Nc2ccccc2)c(Br)c1 ZINC000000285711 563236029 /nfs/dbraw/zinc/23/60/29/563236029.db2.gz DENIZCQWEVMAQS-UHFFFAOYSA-N 0 0 305.175 4.402 50 0 DIAARN O=c1c2c(nc3n1CCCCC3)-c1ccccc1CC21CCCC1 ZINC000000282948 563236042 /nfs/dbraw/zinc/23/60/42/563236042.db2.gz SNWRFBJVHRLSSZ-UHFFFAOYSA-N 0 0 320.436 4.005 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000292500 563236469 /nfs/dbraw/zinc/23/64/69/563236469.db2.gz XHLLVDGHRAJQTN-LSDHHAIUSA-N 0 0 305.299 4.448 50 0 DIAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OC ZINC000000291006 563236514 /nfs/dbraw/zinc/23/65/14/563236514.db2.gz NHJPXTNQBPFMAK-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CCC[C@@H](C)NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000288091 563236559 /nfs/dbraw/zinc/23/65/59/563236559.db2.gz SQDWZCSWFCYARU-SNVBAGLBSA-N 0 0 306.793 4.222 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cn2)C1(C)C ZINC000000291943 563236607 /nfs/dbraw/zinc/23/66/07/563236607.db2.gz AXIVSTHBJFCRNV-YPMHNXCESA-N 0 0 323.234 4.021 50 0 DIAARN COc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000000294879 563237230 /nfs/dbraw/zinc/23/72/30/563237230.db2.gz HPUYUYNEXMRNOJ-UHFFFAOYSA-N 0 0 317.388 4.215 50 0 biogenic DIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1F ZINC000000299012 563237327 /nfs/dbraw/zinc/23/73/27/563237327.db2.gz PRGNNBNQQRLORJ-UHFFFAOYSA-N 0 0 314.143 4.150 50 0 DIAARN O=C(Nc1ccccc1Cl)c1ccccc1Br ZINC000000301498 563237667 /nfs/dbraw/zinc/23/76/67/563237667.db2.gz ZRLFGSINEXMBBP-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN Cc1cccc(NC(=S)NCCc2c[nH]c3ccccc23)c1C ZINC000000307146 563238407 /nfs/dbraw/zinc/23/84/07/563238407.db2.gz FOTOJLXDMONSGA-UHFFFAOYSA-N 0 0 323.465 4.314 50 0 DIAARN COc1ccc(CNC(=S)Nc2cccc(Cl)c2C)cc1 ZINC000000305255 563238413 /nfs/dbraw/zinc/23/84/13/563238413.db2.gz DRDAPFOKEIECSX-UHFFFAOYSA-N 0 0 320.845 4.144 50 0 DIAARN C[C@H]1C[C@H](C)CN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000000305876 563238502 /nfs/dbraw/zinc/23/85/02/563238502.db2.gz KSXNVEUDTLBOKI-RYUDHWBXSA-N 0 0 301.459 4.052 50 0 DIAARN C[C@H](NC(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000000306656 563238541 /nfs/dbraw/zinc/23/85/41/563238541.db2.gz LWIDJBPCQANYDT-NSHDSACASA-N 0 0 310.235 4.207 50 0 DIAARN O=C(c1cc2ccccc2o1)c1ccc(Br)s1 ZINC000000304819 563238584 /nfs/dbraw/zinc/23/85/84/563238584.db2.gz TWVBESBWLWMASK-UHFFFAOYSA-N 0 0 307.168 4.488 50 0 DIAARN COc1cccc(C=O)c1OCc1ccc(Cl)cc1Cl ZINC000000304663 563238617 /nfs/dbraw/zinc/23/86/17/563238617.db2.gz UJBMWHMDSUISPV-UHFFFAOYSA-N 0 0 311.164 4.394 50 0 DIAARN Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1Cl ZINC000000309469 563238980 /nfs/dbraw/zinc/23/89/80/563238980.db2.gz VEKHQVNTNMXCIU-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1C ZINC000000307611 563239012 /nfs/dbraw/zinc/23/90/12/563239012.db2.gz GEBTYNJGFQSCIN-UHFFFAOYSA-N 0 0 324.332 4.127 50 0 DIAARN Cc1occc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000307663 563239021 /nfs/dbraw/zinc/23/90/21/563239021.db2.gz MPSFAQUHJKNCCE-UHFFFAOYSA-N 0 0 307.349 4.419 50 0 DIAARN CCOc1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000000311239 563239648 /nfs/dbraw/zinc/23/96/48/563239648.db2.gz OXWPTFVOWUPGPM-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000311692 563239696 /nfs/dbraw/zinc/23/96/96/563239696.db2.gz IYGUNCZHYNMTKV-CYBMUJFWSA-N 0 0 313.397 4.470 50 0 DIAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccncc1 ZINC000000314486 563240062 /nfs/dbraw/zinc/24/00/62/563240062.db2.gz RAXRPTAUAYBBLM-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000000315219 563240358 /nfs/dbraw/zinc/24/03/58/563240358.db2.gz XNKPRSLFBRVBIB-UHFFFAOYSA-N 0 0 316.451 4.176 50 0 DIAARN CN(CCc1ccccn1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000317726 563240887 /nfs/dbraw/zinc/24/08/87/563240887.db2.gz KXMPXVOGAUYISU-UHFFFAOYSA-N 0 0 316.404 4.063 50 0 DIAARN CCN(CC)C(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 ZINC000000317759 563240946 /nfs/dbraw/zinc/24/09/46/563240946.db2.gz BBWBVTHRYHMBEP-XDJHFCHBSA-N 0 0 309.409 4.104 50 0 DIAARN Cc1ccc(C)c(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 ZINC000000325408 563241405 /nfs/dbraw/zinc/24/14/05/563241405.db2.gz OUNNXVGJKQENSL-YBEGLDIGSA-N 0 0 311.768 4.301 50 0 DIAARN CC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3)n2)OC1=O ZINC000000345962 563242580 /nfs/dbraw/zinc/24/25/80/563242580.db2.gz SWTBNNNBHYZFID-BZNIZROVSA-N 0 0 302.399 4.075 50 0 DIAARN C[C@]1(c2csc(Nc3ccccc3Cl)n2)CCC(=O)O1 ZINC000000345979 563242782 /nfs/dbraw/zinc/24/27/82/563242782.db2.gz BEHUNBYHIYIKNL-CQSZACIVSA-N 0 0 308.790 4.092 50 0 DIAARN Clc1ccc(CNc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000000360041 563244344 /nfs/dbraw/zinc/24/43/44/563244344.db2.gz MHBATHTUTYXJMY-UHFFFAOYSA-N 0 0 310.180 4.377 50 0 DIAARN CC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000358649 563244369 /nfs/dbraw/zinc/24/43/69/563244369.db2.gz DKTUFUZJIUGODR-UHFFFAOYSA-N 0 0 309.148 4.415 50 0 DIAARN O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccccc1 ZINC000000361804 563244979 /nfs/dbraw/zinc/24/49/79/563244979.db2.gz LIDDQKAMUXHIQD-UHFFFAOYSA-N 0 0 318.328 4.125 50 0 DIAARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccccc1F ZINC000000364058 563245442 /nfs/dbraw/zinc/24/54/42/563245442.db2.gz WFDQLNJSRAQNGS-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CCc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000000370985 563246404 /nfs/dbraw/zinc/24/64/04/563246404.db2.gz VZUAZOZVAQXXGN-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN CCSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O ZINC000000368512 563246434 /nfs/dbraw/zinc/24/64/34/563246434.db2.gz HWAJLYPZGMFAGR-UHFFFAOYSA-N 0 0 318.467 4.284 50 0 DIAARN CCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000000372178 563246554 /nfs/dbraw/zinc/24/65/54/563246554.db2.gz NEOOEFZWGUFVFI-UHFFFAOYSA-N 0 0 318.591 4.116 50 0 DIAARN CC[C@H](C(=O)Nc1nnc(CC(C)(C)C)s1)c1ccccc1 ZINC000000380302 563247671 /nfs/dbraw/zinc/24/76/71/563247671.db2.gz RTIYNXAARRLWIN-ZDUSSCGKSA-N 0 0 317.458 4.259 50 0 DIAARN O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3)cc2o1 ZINC000000383177 563248121 /nfs/dbraw/zinc/24/81/21/563248121.db2.gz WVKLERKKJXUPIK-UHFFFAOYSA-N 0 0 320.266 4.391 50 0 DIAARN Cc1cc(C)cc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 ZINC000000385281 563248920 /nfs/dbraw/zinc/24/89/20/563248920.db2.gz YFKWXDYWSDDWGF-UHFFFAOYSA-N 0 0 320.421 4.060 50 0 DIAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(F)cc1 ZINC000000398585 563250596 /nfs/dbraw/zinc/25/05/96/563250596.db2.gz ACJKRJOCOYKKRG-UHFFFAOYSA-N 0 0 322.177 4.457 50 0 DIAARN O=C(Nc1ccccc1Br)c1cc2ccccc2o1 ZINC000000406251 563251761 /nfs/dbraw/zinc/25/17/61/563251761.db2.gz LEJXUQMSYSSPBV-UHFFFAOYSA-N 0 0 316.154 4.448 50 0 DIAARN Oc1ccccc1-c1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000000411404 563252057 /nfs/dbraw/zinc/25/20/57/563252057.db2.gz XEGZNHAGKZIPHL-UHFFFAOYSA-N 0 0 317.801 4.123 50 0 DIAARN CC(C)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000000409618 563252112 /nfs/dbraw/zinc/25/21/12/563252112.db2.gz GOUPTGFNIGPHDW-UHFFFAOYSA-N 0 0 323.440 4.164 50 0 DIAARN Cc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 ZINC000000426634 563252686 /nfs/dbraw/zinc/25/26/86/563252686.db2.gz YVHSRTXFORQCTF-CYBMUJFWSA-N 0 0 312.413 4.386 50 0 DIAARN CCc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000426450 563252810 /nfs/dbraw/zinc/25/28/10/563252810.db2.gz BPHALIMLDSMYIE-UHFFFAOYSA-N 0 0 315.380 4.122 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OCC ZINC000000434588 563253274 /nfs/dbraw/zinc/25/32/74/563253274.db2.gz GXGUXYSRWQHZFR-UHFFFAOYSA-N 0 0 319.788 4.390 50 0 DIAARN O=C(Nc1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000000434207 563253348 /nfs/dbraw/zinc/25/33/48/563253348.db2.gz DPXFAIYJMOFMBQ-UHFFFAOYSA-N 0 0 316.154 4.448 50 0 DIAARN C[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000439341 563253823 /nfs/dbraw/zinc/25/38/23/563253823.db2.gz KLUCQQOWTOTGCO-NSHDSACASA-N 0 0 308.208 4.413 50 0 DIAARN Cc1cccc(NC(=O)Cc2ccc(Br)cc2)c1C ZINC000000442382 563254516 /nfs/dbraw/zinc/25/45/16/563254516.db2.gz IWIZLHUNPZWOLU-UHFFFAOYSA-N 0 0 318.214 4.247 50 0 DIAARN Cc1cccc(NC(=O)/C=C/c2cc(Br)cs2)c1 ZINC000000443365 563255162 /nfs/dbraw/zinc/25/51/62/563255162.db2.gz QHMOPFZSLBEING-AATRIKPKSA-N 0 0 322.227 4.471 50 0 DIAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)c(C)c1 ZINC000000444998 563255531 /nfs/dbraw/zinc/25/55/31/563255531.db2.gz QSMQVSDECZCIKB-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN CCc1cc(=O)oc2c(C)c(OCc3ccccc3F)ccc12 ZINC000000452881 563256685 /nfs/dbraw/zinc/25/66/85/563256685.db2.gz GDAGOSPGQQGYRC-UHFFFAOYSA-N 0 0 312.340 4.382 50 0 DIAARN Cc1cc(OCC(=O)N2CCCc3ccccc32)ccc1Cl ZINC000000455412 563257740 /nfs/dbraw/zinc/25/77/40/563257740.db2.gz SQJCKOVUNQYHLQ-UHFFFAOYSA-N 0 0 315.800 4.007 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1cc(Cl)ccc1OC ZINC000000455675 563257792 /nfs/dbraw/zinc/25/77/92/563257792.db2.gz FJGCTYIKFGAESI-UHFFFAOYSA-N 0 0 303.789 4.472 50 0 DIAARN CCCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)ccc12 ZINC000000457519 563258035 /nfs/dbraw/zinc/25/80/35/563258035.db2.gz FKAKEVQCQGHKMV-UHFFFAOYSA-N 0 0 324.376 4.333 50 0 biogenic DIAARN COc1ccc(-c2cn3cccc(C)c3n2)cc1Br ZINC000000459307 563258437 /nfs/dbraw/zinc/25/84/37/563258437.db2.gz IFIVUDMCETUJCS-UHFFFAOYSA-N 0 0 317.186 4.081 50 0 DIAARN Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccc(F)cc1 ZINC000000458847 563258451 /nfs/dbraw/zinc/25/84/51/563258451.db2.gz WBCPTZQVUPFIFZ-UHFFFAOYSA-N 0 0 314.316 4.036 50 0 DIAARN CCOc1ccc([C@@H]2CC(=O)n3c4ccccc4nc3S2)cc1 ZINC000000462772 563259221 /nfs/dbraw/zinc/25/92/21/563259221.db2.gz IVNIEGLJUXDJDF-INIZCTEOSA-N 0 0 324.405 4.312 50 0 DIAARN CC[C@@H]1CCCCN1C(=O)c1c(F)c(F)cc(C)c1Cl ZINC000000464815 563259474 /nfs/dbraw/zinc/25/94/74/563259474.db2.gz PUDJGKIXEJVENI-SNVBAGLBSA-N 0 0 301.764 4.331 50 0 DIAARN Cc1nc2cc(NC(=O)Nc3ccccc3Cl)ccc2n1C ZINC000000470181 563260032 /nfs/dbraw/zinc/26/00/32/563260032.db2.gz QRIRPAXHFBBVHN-UHFFFAOYSA-N 0 0 314.776 4.179 50 0 DIAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(C)cc1 ZINC000000471511 563260629 /nfs/dbraw/zinc/26/06/29/563260629.db2.gz NUDIDSNUIRXFCE-UHFFFAOYSA-N 0 0 303.789 4.147 50 0 DIAARN COc1c(C(=O)N[C@@H](C)c2ccccc2)ccc2ccccc21 ZINC000000471198 563260673 /nfs/dbraw/zinc/26/06/73/563260673.db2.gz VPWPKXJSNCGPQG-AWEZNQCLSA-N 0 0 305.377 4.339 50 0 DIAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2s1 ZINC000000470400 563260689 /nfs/dbraw/zinc/26/06/89/563260689.db2.gz SSNVUWOKBCGXIR-RYUDHWBXSA-N 0 0 320.483 4.083 50 0 DIAARN O=C(COc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000000473957 563261042 /nfs/dbraw/zinc/26/10/42/563261042.db2.gz SQUOOHVAWBWZSM-UHFFFAOYSA-N 0 0 319.360 4.496 50 0 DIAARN CC(C)Cc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 ZINC000000472736 563261279 /nfs/dbraw/zinc/26/12/79/563261279.db2.gz VCDZBSRVXRXFLA-BQYQJAHWSA-N 0 0 321.833 4.042 50 0 DIAARN COc1ccc(CCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000000475513 563261673 /nfs/dbraw/zinc/26/16/73/563261673.db2.gz TWSPVUNWRQKARO-MDWZMJQESA-N 0 0 323.436 4.191 50 0 DIAARN Cc1cc(NC(=O)[C@H](C)c2ccccc2)ccc1Br ZINC000000474668 563261748 /nfs/dbraw/zinc/26/17/48/563261748.db2.gz JUTAXMOLUZWOHE-GFCCVEGCSA-N 0 0 318.214 4.500 50 0 DIAARN CCOC(=O)c1c(C)scc1NC(=O)c1ccc(Cl)cc1 ZINC000000478520 563262234 /nfs/dbraw/zinc/26/22/34/563262234.db2.gz DQZXTHZAQYESSN-UHFFFAOYSA-N 0 0 323.801 4.139 50 0 DIAARN CCOC(=O)c1c(N)scc1-c1ccc(Cl)c(Cl)c1 ZINC000000484474 563262825 /nfs/dbraw/zinc/26/28/25/563262825.db2.gz DJGYERMBEZJSQG-UHFFFAOYSA-N 0 0 316.209 4.481 50 0 DIAARN Nc1ccccc1Sc1ncnc2sc3c(c21)CCCC3 ZINC000000485045 563262864 /nfs/dbraw/zinc/26/28/64/563262864.db2.gz KLVLLCHUXOIAKS-UHFFFAOYSA-N 0 0 313.451 4.304 50 0 DIAARN CC1=Nc2ccccc2[C@@](O)(c2ccccc2)N1c1ccccc1 ZINC000000482092 563262885 /nfs/dbraw/zinc/26/28/85/563262885.db2.gz VRTNCGIKAQZIGE-NRFANRHFSA-N 0 0 314.388 4.450 50 0 DIAARN CCOC(=O)c1ccccc1NC(=O)CCC1CCCCC1 ZINC000000483117 563262975 /nfs/dbraw/zinc/26/29/75/563262975.db2.gz DGFZTTARNCHODV-UHFFFAOYSA-N 0 0 303.402 4.162 50 0 DIAARN CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000483051 563263030 /nfs/dbraw/zinc/26/30/30/563263030.db2.gz PRPIUTMWACLAKH-UHFFFAOYSA-N 0 0 324.405 4.461 50 0 DIAARN CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000000484281 563263042 /nfs/dbraw/zinc/26/30/42/563263042.db2.gz ADTRHLSWUZXDRI-JTQLQIEISA-N 0 0 323.458 4.034 50 0 DIAARN Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C ZINC000000493265 563263519 /nfs/dbraw/zinc/26/35/19/563263519.db2.gz PCDVQYKPGWJJDR-UHFFFAOYSA-N 0 0 305.377 4.474 50 0 DIAARN c1coc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)c1 ZINC000000509623 563264095 /nfs/dbraw/zinc/26/40/95/563264095.db2.gz KSKKQSBSECXBRH-INIZCTEOSA-N 0 0 308.381 4.484 50 0 DIAARN COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)c1 ZINC000000526605 563264776 /nfs/dbraw/zinc/26/47/76/563264776.db2.gz JFZHYEUABINGJF-UHFFFAOYSA-N 0 0 324.376 4.306 50 0 DIAARN CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CCC3 ZINC000000535273 563265454 /nfs/dbraw/zinc/26/54/54/563265454.db2.gz LXNVDYKJSYDDAX-UHFFFAOYSA-N 0 0 308.406 4.237 50 0 DIAARN S=C(Nc1ccc(Cl)cc1)N1N=CC[C@@H]1c1ccccc1 ZINC000000542516 563265610 /nfs/dbraw/zinc/26/56/10/563265610.db2.gz IPUWCNZNSVCKTI-OAHLLOKOSA-N 0 0 315.829 4.470 50 0 DIAARN O=C(Nc1ccc(Br)cc1)C1[C@@H]2CCC=CCC[C@@H]12 ZINC000000552889 563265884 /nfs/dbraw/zinc/26/58/84/563265884.db2.gz NVXYQEIQUDSTGK-ZIAGYGMSSA-N 0 0 320.230 4.380 50 0 DIAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 ZINC000000555054 563266021 /nfs/dbraw/zinc/26/60/21/563266021.db2.gz ZLDRQASALOMPJT-CQSZACIVSA-N 0 0 313.422 4.317 50 0 DIAARN COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000000563098 563266512 /nfs/dbraw/zinc/26/65/12/563266512.db2.gz WYZMATVATKMXCY-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN Cn1c(SCc2ccccc2Cl)nnc1-c1ccco1 ZINC000000560659 563266737 /nfs/dbraw/zinc/26/67/37/563266737.db2.gz HAYJHLBKOMOFKQ-UHFFFAOYSA-N 0 0 305.790 4.021 50 0 DIAARN C[C@H](O)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000000572491 563267610 /nfs/dbraw/zinc/26/76/10/563267610.db2.gz XPIZHVSXWQEOSV-AWEZNQCLSA-N 0 0 308.425 4.435 50 0 DIAARN Cc1ccc(COc2ccccc2C(=S)N2CCCC2)cc1 ZINC000000573360 563267627 /nfs/dbraw/zinc/26/76/27/563267627.db2.gz CDHAJNKEWXAYIV-UHFFFAOYSA-N 0 0 311.450 4.345 50 0 DIAARN CC(C(=O)Nc1ccccn1)(c1ccccc1)c1ccccc1 ZINC000000574280 563267995 /nfs/dbraw/zinc/26/79/95/563267995.db2.gz PJTAYJOPEXSXNY-UHFFFAOYSA-N 0 0 302.377 4.026 50 0 DIAARN COc1ccc(NC(=O)NC(C)(C)CC(C)(C)C)c(OC)c1 ZINC000000609424 563268174 /nfs/dbraw/zinc/26/81/74/563268174.db2.gz NHZBOOWMNYDCDA-UHFFFAOYSA-N 0 0 308.422 4.040 50 0 DIAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2C(F)(F)F ZINC000000609026 563268546 /nfs/dbraw/zinc/26/85/46/563268546.db2.gz PUDSKOWMVKQSLY-UHFFFAOYSA-N 0 0 321.302 4.041 50 0 DIAARN COc1ccc(NC(=O)Nc2ccccc2SC)c(OC)c1 ZINC000000610671 563268861 /nfs/dbraw/zinc/26/88/61/563268861.db2.gz NIKMJMLVNQXROV-UHFFFAOYSA-N 0 0 318.398 4.070 50 0 DIAARN Cc1cc(=O)oc2c(C)c(OCc3c(F)cccc3F)ccc12 ZINC000000610191 563268888 /nfs/dbraw/zinc/26/88/88/563268888.db2.gz DXKPUZFKHMDXHJ-UHFFFAOYSA-N 0 0 316.303 4.267 50 0 DIAARN CCOc1ccc(NC(=O)Nc2ccccc2SC)cc1 ZINC000000612037 563268954 /nfs/dbraw/zinc/26/89/54/563268954.db2.gz YGCWQFGQCNHDKP-UHFFFAOYSA-N 0 0 302.399 4.451 50 0 DIAARN CSc1ccccc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000000614608 563270044 /nfs/dbraw/zinc/27/00/44/563270044.db2.gz SFHBHYJUXLVZKG-UHFFFAOYSA-N 0 0 310.378 4.316 50 0 DIAARN FC(F)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000616311 563270088 /nfs/dbraw/zinc/27/00/88/563270088.db2.gz FZVSONTXAQZTAE-UHFFFAOYSA-N 0 0 303.337 4.249 50 0 DIAARN COc1ccc(-c2noc(CSc3ccc(C)cc3)n2)cc1 ZINC000000615806 563270135 /nfs/dbraw/zinc/27/01/35/563270135.db2.gz UJAFFARGLZEXSZ-UHFFFAOYSA-N 0 0 312.394 4.346 50 0 DIAARN Cc1cccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c1O ZINC000000618107 563270559 /nfs/dbraw/zinc/27/05/59/563270559.db2.gz REJBNJAMPDMDBE-UHFFFAOYSA-N 0 0 311.164 4.364 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=S)NC1CCCC1 ZINC000000621392 563271075 /nfs/dbraw/zinc/27/10/75/563271075.db2.gz WKXLHALYDSKHKB-UHFFFAOYSA-N 0 0 306.475 4.222 50 0 DIAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000000621711 563271196 /nfs/dbraw/zinc/27/11/96/563271196.db2.gz NHIDVOMIDNNKOV-IBGZPJMESA-N 0 0 309.409 4.357 50 0 DIAARN CCCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000759180 563271899 /nfs/dbraw/zinc/27/18/99/563271899.db2.gz WZOWZBUMFFJZSP-UHFFFAOYSA-N 0 0 323.845 4.254 50 0 DIAARN CCc1cc(=O)oc2c(C)c(OC(=O)C3CCCCC3)ccc12 ZINC000000858449 563272341 /nfs/dbraw/zinc/27/23/41/563272341.db2.gz QOPGOHCZLYBZET-UHFFFAOYSA-N 0 0 314.381 4.150 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N3[C@@H](C)CC(C)C[C@@H]3C)no2)cc1 ZINC000000815102 563272615 /nfs/dbraw/zinc/27/26/15/563272615.db2.gz JGMWRXZXGQCDEH-GJZGRUSLSA-N 0 0 312.413 4.299 50 0 DIAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccs1 ZINC000000884406 563272916 /nfs/dbraw/zinc/27/29/16/563272916.db2.gz QPLFGOCRDONFJA-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN O=C(c1ccccc1)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)c1ccccc1 ZINC000000988684 563273732 /nfs/dbraw/zinc/27/37/32/563273732.db2.gz KAFIRIBTVAQVNC-RDGPPVDQSA-N 0 0 302.373 4.191 50 0 DIAARN CCOc1ccccc1C(=O)Oc1ccc(Br)cc1 ZINC000001017131 563274392 /nfs/dbraw/zinc/27/43/92/563274392.db2.gz CXHKMMVIAVZKRG-UHFFFAOYSA-N 0 0 321.170 4.067 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cccnc1Oc1ccccc1 ZINC000001036324 563274927 /nfs/dbraw/zinc/27/49/27/563274927.db2.gz AWFHFGVGTBHVPI-UHFFFAOYSA-N 0 0 308.312 4.265 50 0 DIAARN CC(C)(C)c1csc(SCC(=O)Nc2ccccc2)n1 ZINC000001018815 563275145 /nfs/dbraw/zinc/27/51/45/563275145.db2.gz GGAFJZVKEPHEQI-UHFFFAOYSA-N 0 0 306.456 4.171 50 0 DIAARN Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 ZINC000001018816 563275238 /nfs/dbraw/zinc/27/52/38/563275238.db2.gz VAYLQJWRNANUSQ-UHFFFAOYSA-N 0 0 320.483 4.480 50 0 DIAARN CC1(C)CC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)C1 ZINC000001020845 563275347 /nfs/dbraw/zinc/27/53/47/563275347.db2.gz DVWZHXSDVGYQCA-UHFFFAOYSA-N 0 0 320.432 4.416 50 0 DIAARN O=C(Nc1ccccc1Sc1ccccc1)c1cccnc1 ZINC000001054826 563275957 /nfs/dbraw/zinc/27/59/57/563275957.db2.gz ZPZYSBYERFSKDH-UHFFFAOYSA-N 0 0 306.390 4.485 50 0 DIAARN COc1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000001062731 563276389 /nfs/dbraw/zinc/27/63/89/563276389.db2.gz MKVVCWUZFUYQSJ-UHFFFAOYSA-N 0 0 311.312 4.347 50 0 DIAARN O=C(NCc1ccccc1)c1ccccc1Oc1ccccc1 ZINC000001189206 563279206 /nfs/dbraw/zinc/27/92/06/563279206.db2.gz HHDNKOZHUOHVTF-UHFFFAOYSA-N 0 0 303.361 4.409 50 0 DIAARN COc1ccc(C)cc1NC(=O)COc1cccc2ccccc21 ZINC000001199867 563279378 /nfs/dbraw/zinc/27/93/78/563279378.db2.gz NNKXGYDAECIODQ-UHFFFAOYSA-N 0 0 321.376 4.174 50 0 DIAARN COc1ccc2c(c1)CC1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O ZINC000001233515 563279884 /nfs/dbraw/zinc/27/98/84/563279884.db2.gz PMVGRTXYGHOLDX-WOJBJXKFSA-N 0 0 310.393 4.067 50 0 DIAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc2ccccc2o1 ZINC000001235412 563279970 /nfs/dbraw/zinc/27/99/70/563279970.db2.gz LFUHALPSLAJJSD-UHFFFAOYSA-N 0 0 312.325 4.434 50 0 DIAARN CCOc1ccc(-c2n[nH]c(=S)n2[C@@H]2C=CCCC2)cc1 ZINC000001247432 563281027 /nfs/dbraw/zinc/28/10/27/563281027.db2.gz AOKMKDDEPUFZDV-CYBMUJFWSA-N 0 0 301.415 4.288 50 0 DIAARN COC(=O)Cc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000001388793 563282169 /nfs/dbraw/zinc/28/21/69/563282169.db2.gz CLEANVYWRNZNHG-UHFFFAOYSA-N 0 0 309.390 4.193 50 0 DIAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000001397617 563282692 /nfs/dbraw/zinc/28/26/92/563282692.db2.gz RJBRCKFSLRTDBS-HNNXBMFYSA-N 0 0 320.747 4.009 50 0 DIAARN O=C(NCCc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000001431427 563283491 /nfs/dbraw/zinc/28/34/91/563283491.db2.gz FYAHRWNNCHTIRH-UHFFFAOYSA-N 0 0 300.210 4.027 50 0 DIAARN CCc1ccc(OCCCC(=O)Nc2ccccc2OC)cc1 ZINC000001773426 563295146 /nfs/dbraw/zinc/29/51/46/563295146.db2.gz SUYZOXAHJXQVQU-UHFFFAOYSA-N 0 0 313.397 4.055 50 0 DIAARN CCOc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 ZINC000001773329 563295291 /nfs/dbraw/zinc/29/52/91/563295291.db2.gz MCJTXCFESJKUFY-UHFFFAOYSA-N 0 0 313.397 4.191 50 0 DIAARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000001773567 563295373 /nfs/dbraw/zinc/29/53/73/563295373.db2.gz MGHUUGIGCSDFIZ-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN COc1ccc(OCCCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000001778174 563295766 /nfs/dbraw/zinc/29/57/66/563295766.db2.gz OEUGWDLREHMPBG-UHFFFAOYSA-N 0 0 313.397 4.110 50 0 DIAARN COc1ccc(OCCCC(=O)Nc2ccccc2Cl)cc1 ZINC000001778222 563295773 /nfs/dbraw/zinc/29/57/73/563295773.db2.gz IVXFYXZHTTTYMF-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001775869 563295838 /nfs/dbraw/zinc/29/58/38/563295838.db2.gz KFFWYRFKSGXFIQ-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1 ZINC000001779464 563295958 /nfs/dbraw/zinc/29/59/58/563295958.db2.gz SRTXZQGIVMKCMA-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN CCCCOC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1 ZINC000001801412 563296201 /nfs/dbraw/zinc/29/62/01/563296201.db2.gz PGRCAQNWYIONJO-UHFFFAOYSA-N 0 0 311.381 4.204 50 0 DIAARN Cn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1 ZINC000001804635 563296646 /nfs/dbraw/zinc/29/66/46/563296646.db2.gz AWFPJHTXYCZCLP-WEVVVXLNSA-N 0 0 313.451 4.349 50 0 DIAARN Cc1cccc(C)c1OCCCCn1c(CO)nc2ccccc21 ZINC000001926885 563296935 /nfs/dbraw/zinc/29/69/35/563296935.db2.gz YDAXDZHHVJVWGJ-UHFFFAOYSA-N 0 0 324.424 4.005 50 0 DIAARN Cc1ccccc1OCCCCn1c2ccccc2nc1[C@@H](C)O ZINC000001926793 563297095 /nfs/dbraw/zinc/29/70/95/563297095.db2.gz WJFNESBMIWRPPF-MRXNPFEDSA-N 0 0 324.424 4.257 50 0 DIAARN CC[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(C)cc1 ZINC000002103132 563300142 /nfs/dbraw/zinc/30/01/42/563300142.db2.gz YNILJFXCHPMPJX-JSGCOSHPSA-N 0 0 300.229 4.146 50 0 DIAARN CC[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(C)cc1 ZINC000002103130 563300193 /nfs/dbraw/zinc/30/01/93/563300193.db2.gz YNILJFXCHPMPJX-TZMCWYRMSA-N 0 0 300.229 4.146 50 0 DIAARN CCCCn1c(SCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002180528 563301347 /nfs/dbraw/zinc/30/13/47/563301347.db2.gz DLPMBQDVZRLSTC-UHFFFAOYSA-N 0 0 322.499 4.249 50 0 DIAARN O=C(c1ccc(CN2CCC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514640 563305033 /nfs/dbraw/zinc/30/50/33/563305033.db2.gz XPGXKYLUTZQLMZ-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCC1 ZINC000002515628 563305900 /nfs/dbraw/zinc/30/59/00/563305900.db2.gz YXFYMUNGFMLZDA-UHFFFAOYSA-N 0 0 319.326 4.142 50 0 DIAARN O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CC=CC1 ZINC000002515907 563306137 /nfs/dbraw/zinc/30/61/37/563306137.db2.gz SYAKMFBMKXXCOD-UHFFFAOYSA-N 0 0 315.775 4.082 50 0 DIAARN O=C(c1cccc(CN2CCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515143 563306256 /nfs/dbraw/zinc/30/62/56/563306256.db2.gz AEMXOHJRWZGZQP-UHFFFAOYSA-N 0 0 320.219 4.430 50 0 DIAARN CC1(C)COC(CCCCC(=O)c2c(F)cccc2F)OC1 ZINC000002518084 563307321 /nfs/dbraw/zinc/30/73/21/563307321.db2.gz IXFRCLLIVVIABN-UHFFFAOYSA-N 0 0 312.356 4.107 50 0 DIAARN CCc1cccc2c(CCNC(C)=O)c(-c3ccccc3)[nH]c21 ZINC000002534158 563308564 /nfs/dbraw/zinc/30/85/64/563308564.db2.gz OQPKKIVOKWKTLC-UHFFFAOYSA-N 0 0 306.409 4.076 50 0 DIAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccccc2)N1 ZINC000002589583 563310320 /nfs/dbraw/zinc/31/03/20/563310320.db2.gz KMUFVCVGOAAKNE-MRXNPFEDSA-N 0 0 317.845 4.213 50 0 DIAARN FC(F)(F)c1cccc(Br)c1Br ZINC000002598089 563310666 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CC1C[C@@H](C)N(C(=O)c2cc(-c3ccc(F)cc3)no2)[C@H](C)C1 ZINC000006872605 563334491 /nfs/dbraw/zinc/33/44/91/563334491.db2.gz YGXSIECDCBRGFF-CHWSQXEVSA-N 0 0 316.376 4.130 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1noc2c1C[C@H](C)CC2 ZINC000007000194 563336025 /nfs/dbraw/zinc/33/60/25/563336025.db2.gz YGKKBWGFEGPDRI-SECBINFHSA-N 0 0 304.777 4.014 50 0 DIAARN COc1ccc([C@@H](NC(=O)C2CCCCC2)c2ccccc2)cc1 ZINC000006995301 563336089 /nfs/dbraw/zinc/33/60/89/563336089.db2.gz OMKLUPBTTCWSSM-FQEVSTJZSA-N 0 0 323.436 4.481 50 0 DIAARN C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccncc1 ZINC000007184623 563336663 /nfs/dbraw/zinc/33/66/63/563336663.db2.gz UUTUKLVEVXYMHC-CYBMUJFWSA-N 0 0 314.454 4.293 50 0 DIAARN O=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000002646017 563337278 /nfs/dbraw/zinc/33/72/78/563337278.db2.gz BTGJSIZQWKLFDR-UHFFFAOYSA-N 0 0 320.776 4.270 50 0 DIAARN COc1ccc(Cl)cc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000002630183 563337415 /nfs/dbraw/zinc/33/74/15/563337415.db2.gz ITXUHRYENNJKAK-INIZCTEOSA-N 0 0 315.800 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/nfs/dbraw/zinc/36/92/87/563369287.db2.gz MAOSIMHGXHQLFU-UHFFFAOYSA-N 0 0 302.337 4.102 50 0 DIAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cccs2)CCS1 ZINC000219280544 563370605 /nfs/dbraw/zinc/37/06/05/563370605.db2.gz NRMMTBXACXJGNV-HNNXBMFYSA-N 0 0 317.479 4.377 50 0 DIAARN CCc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)o1 ZINC000012592713 563371412 /nfs/dbraw/zinc/37/14/12/563371412.db2.gz YWVYTEFXPUIBGI-AWEZNQCLSA-N 0 0 317.454 4.307 50 0 DIAARN CC[C@@H]1CCCCN1Cc1nc(Cc2ccccc2Cl)no1 ZINC000012584916 563371427 /nfs/dbraw/zinc/37/14/27/563371427.db2.gz YBMLEWBAYFLSFO-CQSZACIVSA-N 0 0 319.836 4.078 50 0 DIAARN COc1cccc(CC[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 ZINC000012752296 563372902 /nfs/dbraw/zinc/37/29/02/563372902.db2.gz NTIZNARCVAKIDT-QGZVFWFLSA-N 0 0 315.457 4.057 50 0 DIAARN O=C(C[C@H](c1ccccc1)c1ccccc1Cl)N1CCCC1 ZINC000012711211 563373101 /nfs/dbraw/zinc/37/31/01/563373101.db2.gz FBPCWEBHJXDLJA-QGZVFWFLSA-N 0 0 313.828 4.484 50 0 DIAARN Cc1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n(C)n1 ZINC000012794897 563373785 /nfs/dbraw/zinc/37/37/85/563373785.db2.gz WJSJPGYLMMTBMP-UHFFFAOYSA-N 0 0 304.806 4.249 50 0 DIAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1F ZINC000012791586 563374078 /nfs/dbraw/zinc/37/40/78/563374078.db2.gz SWJGZXAAYCWSBS-UHFFFAOYSA-N 0 0 318.398 4.192 50 0 DIAARN Cc1cccc2sc(NC(=O)CCC(=O)c3ccccc3)nc21 ZINC000012793612 563374217 /nfs/dbraw/zinc/37/42/17/563374217.db2.gz GRMSOBNGWUXIKQ-UHFFFAOYSA-N 0 0 324.405 4.206 50 0 DIAARN Cc1cc(C(=O)OCc2cc3ccccc3nc2Cl)c(C)o1 ZINC000012815394 563374863 /nfs/dbraw/zinc/37/48/63/563374863.db2.gz MGPDSIJLKLCLCY-UHFFFAOYSA-N 0 0 315.756 4.455 50 0 DIAARN CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccs1 ZINC000032678643 563375571 /nfs/dbraw/zinc/37/55/71/563375571.db2.gz PNYSLPBAGJEQDS-UHFFFAOYSA-N 0 0 313.875 4.444 50 0 DIAARN Cc1cc(OCCCC(=O)NC2CCCCC2)ccc1Cl ZINC000013039220 563377318 /nfs/dbraw/zinc/37/73/18/563377318.db2.gz WIADXYWZEVFCKN-UHFFFAOYSA-N 0 0 309.837 4.256 50 0 DIAARN c1sc2[nH]cnc(=NN3CCCCC3)c2c1-c1ccccc1 ZINC000013071182 563377621 /nfs/dbraw/zinc/37/76/21/563377621.db2.gz HOXOGHPJZXBZGN-UHFFFAOYSA-N 0 0 310.426 4.171 50 0 DIAARN Clc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 ZINC000013121870 563378263 /nfs/dbraw/zinc/37/82/63/563378263.db2.gz DCXOEABCLIVSFE-QWHCGFSZSA-N 0 0 316.817 4.139 50 0 DIAARN C[C@@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)c1ccncc1 ZINC000013102943 563378295 /nfs/dbraw/zinc/37/82/95/563378295.db2.gz OOHDSUOSEXGDDE-LSBCEZMCSA-N 0 0 312.457 4.255 50 0 DIAARN COc1ccc(Cl)cc1NC(=S)Nc1ccccc1C ZINC000013496981 563382525 /nfs/dbraw/zinc/38/25/25/563382525.db2.gz NSPRWLFSLQVCCC-UHFFFAOYSA-N 0 0 306.818 4.466 50 0 DIAARN CC(=O)c1cccc(NC(=S)N2c3ccccc3C[C@@H]2C)c1 ZINC000013519542 563382728 /nfs/dbraw/zinc/38/27/28/563382728.db2.gz QTSRZGPCSXQDEZ-LBPRGKRZSA-N 0 0 310.422 4.037 50 0 DIAARN Cc1noc(C)c1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000032718953 563383257 /nfs/dbraw/zinc/38/32/57/563383257.db2.gz VTLYLWJXEDRTSW-UHFFFAOYSA-N 0 0 320.392 4.067 50 0 DIAARN CCSc1ccc(NC(=O)CSc2ccc(N)cc2)s1 ZINC000013579066 563383531 /nfs/dbraw/zinc/38/35/31/563383531.db2.gz HRRYKTGOLURMDU-UHFFFAOYSA-N 0 0 324.496 4.173 50 0 DIAARN C[C@@H]1C[C@H](C)CN(c2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000013711763 563386808 /nfs/dbraw/zinc/38/68/08/563386808.db2.gz RZOQKTWQEPZBEZ-GASCZTMLSA-N 0 0 318.424 4.174 50 0 DIAARN CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000032738374 563389485 /nfs/dbraw/zinc/38/94/85/563389485.db2.gz AGYYSKFIXRWFLS-UHFFFAOYSA-N 0 0 310.372 4.293 50 0 DIAARN O=C(c1cc2c(s1)CCCC2)N1CC[C@H]2CCCC[C@H]2C1 ZINC000032748040 563390064 /nfs/dbraw/zinc/39/00/64/563390064.db2.gz JIACQZCFJQTGKL-HIFRSBDPSA-N 0 0 303.471 4.279 50 0 DIAARN Cc1ccccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219475403 563390140 /nfs/dbraw/zinc/39/01/40/563390140.db2.gz INCYFFIZMOZMPR-MRXNPFEDSA-N 0 0 317.479 4.377 50 0 DIAARN O=C(/C=C/c1ccco1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219462248 563390331 /nfs/dbraw/zinc/39/03/31/563390331.db2.gz WJIFGNUQASNNSK-LLYBFZRZSA-N 0 0 319.451 4.061 50 0 DIAARN FC(F)[C@@H]1C[C@@H](C23CC4CC(CC(C4)C2)C3)Nc2ccnn21 ZINC000013959422 563393395 /nfs/dbraw/zinc/39/33/95/563393395.db2.gz PCGOCMMQQWNASN-OXMMTESCSA-N 0 0 307.388 4.090 50 0 DIAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000032796230 563394517 /nfs/dbraw/zinc/39/45/17/563394517.db2.gz CILITMJCLJOKAK-MRXNPFEDSA-N 0 0 300.789 4.021 50 0 DIAARN Cc1ccc(SCCCCSc2nc(C)cc(=O)[nH]2)cc1 ZINC000014084007 563394566 /nfs/dbraw/zinc/39/45/66/563394566.db2.gz IRVQUPSCTIWZFM-UHFFFAOYSA-N 0 0 320.483 4.051 50 0 DIAARN c1csc(-c2cc(CSc3ncc4ccccn43)no2)c1 ZINC000014083075 563394936 /nfs/dbraw/zinc/39/49/36/563394936.db2.gz XSWUOPBUIYQZFX-UHFFFAOYSA-N 0 0 313.407 4.343 50 0 DIAARN C[C@@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1Cl ZINC000032803528 563395281 /nfs/dbraw/zinc/39/52/81/563395281.db2.gz LWFRGQQLMJLQEW-IAQYHMDHSA-N 0 0 318.804 4.371 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2occc2-c2cccs2)cc1 ZINC000014094459 563395690 /nfs/dbraw/zinc/39/56/90/563395690.db2.gz CFZKAFPJOUPHMA-UHFFFAOYSA-N 0 0 311.362 4.463 50 0 DIAARN Cc1ccc(C)c(S[C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000014123455 563396132 /nfs/dbraw/zinc/39/61/32/563396132.db2.gz JXCDYDPPFSBHEU-SFHVURJKSA-N 0 0 311.450 4.415 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1cc2c(s1)CCCC2 ZINC000014137573 563396308 /nfs/dbraw/zinc/39/63/08/563396308.db2.gz ONXNAWVUMWQHNQ-UHFFFAOYSA-N 0 0 308.406 4.427 50 0 DIAARN Cc1ccc(-c2nc(CC(=O)OCc3ccccc3)cs2)cc1 ZINC000014180748 563396676 /nfs/dbraw/zinc/39/66/76/563396676.db2.gz PFYUQULLXHQKLD-UHFFFAOYSA-N 0 0 323.417 4.404 50 0 DIAARN CCOc1ccc2oc(C(=O)N3CCC[C@H](C)C3)c(C)c2c1 ZINC000014166405 563396688 /nfs/dbraw/zinc/39/66/88/563396688.db2.gz ILBHGCVEHWVHSO-LBPRGKRZSA-N 0 0 301.386 4.012 50 0 DIAARN CCOc1ccc2oc(C(=O)N3CCC[C@@H](C)C3)c(C)c2c1 ZINC000014166402 563396861 /nfs/dbraw/zinc/39/68/61/563396861.db2.gz ILBHGCVEHWVHSO-GFCCVEGCSA-N 0 0 301.386 4.012 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)CCc1ccc(F)c(F)c1 ZINC000032815702 563397676 /nfs/dbraw/zinc/39/76/76/563397676.db2.gz DSFUMWNSCWMMSZ-UHFFFAOYSA-N 0 0 309.743 4.498 50 0 DIAARN CCOc1cc2ccccc2cc1C(=O)Nc1ncc(C)s1 ZINC000014186280 563397691 /nfs/dbraw/zinc/39/76/91/563397691.db2.gz LMUOKJHGBBGMMF-UHFFFAOYSA-N 0 0 312.394 4.256 50 0 DIAARN Cc1ccc(C(=O)NCCSCc2ccccc2F)c(C)c1 ZINC000014242524 563398802 /nfs/dbraw/zinc/39/88/02/563398802.db2.gz GAVVROOECWJYSO-UHFFFAOYSA-N 0 0 317.429 4.106 50 0 DIAARN O=C(c1ccco1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000014236339 563398930 /nfs/dbraw/zinc/39/89/30/563398930.db2.gz RUAKQMKFKXTKDN-QGZVFWFLSA-N 0 0 309.390 4.129 50 0 DIAARN O=C(c1ccco1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000014236335 563399039 /nfs/dbraw/zinc/39/90/39/563399039.db2.gz RUAKQMKFKXTKDN-KRWDZBQOSA-N 0 0 309.390 4.129 50 0 DIAARN CCCCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000014255282 563399453 /nfs/dbraw/zinc/39/94/53/563399453.db2.gz ZLEAOIHIPDQVOE-UHFFFAOYSA-N 0 0 303.427 4.138 50 0 DIAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000014255259 563399642 /nfs/dbraw/zinc/39/96/42/563399642.db2.gz VZTVIMDAOGAXEP-CQSZACIVSA-N 0 0 303.427 4.309 50 0 DIAARN COc1cc(C)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C ZINC000014316632 563400434 /nfs/dbraw/zinc/40/04/34/563400434.db2.gz YDHIPGFSBBWNMU-UHFFFAOYSA-N 0 0 313.397 4.019 50 0 DIAARN CCc1cccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000032833213 563401022 /nfs/dbraw/zinc/40/10/22/563401022.db2.gz BFPFYXBFSJIVJY-UHFFFAOYSA-N 0 0 310.328 4.295 50 0 DIAARN CCc1cccc(C)c1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000032833067 563401201 /nfs/dbraw/zinc/40/12/01/563401201.db2.gz CIYYWKAPWQVGAY-UHFFFAOYSA-N 0 0 323.371 4.135 50 0 DIAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccsc1 ZINC000032845985 563401858 /nfs/dbraw/zinc/40/18/58/563401858.db2.gz MSVHRSKIFNFRLS-UHFFFAOYSA-N 0 0 322.389 4.253 50 0 DIAARN COCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000014646324 563402265 /nfs/dbraw/zinc/40/22/65/563402265.db2.gz KLVSISGLTFPOSD-UHFFFAOYSA-N 0 0 320.776 4.009 50 0 DIAARN C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000032863131 563404031 /nfs/dbraw/zinc/40/40/31/563404031.db2.gz JFNRLQPIVXWEMK-MRXNPFEDSA-N 0 0 322.452 4.468 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)NCc1cc(F)ccc1F ZINC000014978003 563404144 /nfs/dbraw/zinc/40/41/44/563404144.db2.gz SLJXWGPQTMTFSI-UHFFFAOYSA-N 0 0 315.319 4.258 50 0 DIAARN Cc1sc(NC(=O)[C@H]2C[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000014911408 563404164 /nfs/dbraw/zinc/40/41/64/563404164.db2.gz XWVLHNQHYSTIFO-PELKAZGASA-N 0 0 306.818 4.366 50 0 DIAARN Cc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000015010852 563405583 /nfs/dbraw/zinc/40/55/83/563405583.db2.gz KPQUFUYIBDYCQT-WJDWOHSUSA-N 0 0 309.390 4.232 50 0 DIAARN CC(=O)c1cccc(O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000015108343 563407749 /nfs/dbraw/zinc/40/77/49/563407749.db2.gz VGXAHDZSPYTWMF-AWEZNQCLSA-N 0 0 308.377 4.028 50 0 DIAARN O=C(NCC1(c2ccccc2)CCC1)c1cccc2ncccc21 ZINC000032889013 563408246 /nfs/dbraw/zinc/40/82/46/563408246.db2.gz HIZWBFHICMTYHL-UHFFFAOYSA-N 0 0 316.404 4.087 50 0 DIAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000032895213 563408393 /nfs/dbraw/zinc/40/83/93/563408393.db2.gz ZCKJIJKINADFIS-JQWIXIFHSA-N 0 0 305.727 4.191 50 0 DIAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2CC[C@H]1C ZINC000015304130 563409080 /nfs/dbraw/zinc/40/90/80/563409080.db2.gz VCWYOZXPXCWRTA-SJORKVTESA-N 0 0 322.452 4.047 50 0 DIAARN CC(C)c1nn(CN(C)[C@H]2CCCc3ccccc32)c(=S)o1 ZINC000032899433 563410085 /nfs/dbraw/zinc/41/00/85/563410085.db2.gz XFKQRNWFBZOSOS-HNNXBMFYSA-N 0 0 317.458 4.296 50 0 DIAARN C[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(Cl)cc1 ZINC000032914021 563411486 /nfs/dbraw/zinc/41/14/86/563411486.db2.gz SXSHMJXVOUWCRZ-ZIAGYGMSSA-N 0 0 317.816 4.123 50 0 DIAARN Cc1ccc(NC(=O)c2cccc(OCc3cccs3)c2)nc1 ZINC000032914188 563411563 /nfs/dbraw/zinc/41/15/63/563411563.db2.gz VAKOPPYZZYEFIB-UHFFFAOYSA-N 0 0 324.405 4.283 50 0 DIAARN C[C@H](Sc1nnc2[nH]c3ccccc3n21)c1ccc(F)cc1 ZINC000032911134 563411611 /nfs/dbraw/zinc/41/16/11/563411611.db2.gz IXIZJXGTTCUKBI-JTQLQIEISA-N 0 0 312.373 4.203 50 0 DIAARN C[C@H](Oc1ccccc1)C(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000032915466 563412092 /nfs/dbraw/zinc/41/20/92/563412092.db2.gz XMWGLDNUTFJVFH-BBRMVZONSA-N 0 0 317.454 4.419 50 0 DIAARN Cc1nc2ccc(NC(=O)NCc3ccc(F)cc3)cc2s1 ZINC000032923850 563412941 /nfs/dbraw/zinc/41/29/41/563412941.db2.gz VSVBHUXGQFXOLC-UHFFFAOYSA-N 0 0 315.373 4.066 50 0 DIAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccccc3C)c1CO2 ZINC000032920451 563413017 /nfs/dbraw/zinc/41/30/17/563413017.db2.gz NXTMRBGXYFQWMG-UHFFFAOYSA-N 0 0 320.348 4.103 50 0 DIAARN Cc1cccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C ZINC000032931083 563414053 /nfs/dbraw/zinc/41/40/53/563414053.db2.gz FNWADUJSPUGNQM-CYBMUJFWSA-N 0 0 319.351 4.396 50 0 DIAARN COc1ccc2[nH]c(SCc3cccc4cccnc43)nc2c1 ZINC000010619445 563414232 /nfs/dbraw/zinc/41/42/32/563414232.db2.gz SAAUDHIWHQXBHM-UHFFFAOYSA-N 0 0 321.405 4.412 50 0 DIAARN O=C(NCc1ccco1)NCc1cccc(Oc2ccccc2)c1 ZINC000032933426 563414762 /nfs/dbraw/zinc/41/47/62/563414762.db2.gz UIQRQHBITKXREL-UHFFFAOYSA-N 0 0 322.364 4.071 50 0 DIAARN Cn1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000010847224 563418976 /nfs/dbraw/zinc/41/89/76/563418976.db2.gz OAPICVCRNUQQHO-UHFFFAOYSA-N 0 0 324.409 4.021 50 0 DIAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCCc2ccccc21 ZINC000022913727 563419009 /nfs/dbraw/zinc/41/90/09/563419009.db2.gz YOWUNGVLXCDLGT-UHFFFAOYSA-N 0 0 318.376 4.243 50 0 DIAARN Oc1cccc2ccc(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000022405355 563419044 /nfs/dbraw/zinc/41/90/44/563419044.db2.gz KUYSWJINQATVSO-UHFFFAOYSA-N 0 0 318.420 4.400 50 0 DIAARN C[C@H](c1nnc(NC(=O)c2cccs2)s1)c1ccccc1 ZINC000012383928 563419153 /nfs/dbraw/zinc/41/91/53/563419153.db2.gz DRWSXJJIXQAVLL-JTQLQIEISA-N 0 0 315.423 4.004 50 0 DIAARN CCCn1c(C)cc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c1C ZINC000010892802 563419548 /nfs/dbraw/zinc/41/95/48/563419548.db2.gz DUKCDBRPGUHSHJ-MFKMUULPSA-N 0 0 317.458 4.233 50 0 DIAARN O=C(Nc1cccc2cccnc21)C1(c2ccccc2)CCC1 ZINC000025321028 563421859 /nfs/dbraw/zinc/42/18/59/563421859.db2.gz WVAYSQPOWZUKAT-UHFFFAOYSA-N 0 0 302.377 4.295 50 0 DIAARN CC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1 ZINC000025285035 563422142 /nfs/dbraw/zinc/42/21/42/563422142.db2.gz HLFIKSQCKVUWPN-UHFFFAOYSA-N 0 0 320.392 4.220 50 0 DIAARN C[C@@H](C1CC1)N(C)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000025472318 563423722 /nfs/dbraw/zinc/42/37/22/563423722.db2.gz BLDQHWFDMJXDDA-ZDUSSCGKSA-N 0 0 307.393 4.385 50 0 DIAARN COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000434173 563424565 /nfs/dbraw/zinc/42/45/65/563424565.db2.gz IGUCLJYQUBZFAZ-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN FC(F)Oc1ccc(NCc2nc(-c3cccs3)no2)cc1 ZINC000026782595 563426600 /nfs/dbraw/zinc/42/66/00/563426600.db2.gz VRHQGMJYHBESKD-UHFFFAOYSA-N 0 0 323.324 4.012 50 0 DIAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccoc2C)cs1 ZINC000026884395 563426665 /nfs/dbraw/zinc/42/66/65/563426665.db2.gz SRRNGKRMDOMLHT-UHFFFAOYSA-N 0 0 324.405 4.223 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)s1 ZINC000026749383 563426876 /nfs/dbraw/zinc/42/68/76/563426876.db2.gz UFMHZZPUICZKCB-GHMZBOCLSA-N 0 0 313.850 4.059 50 0 DIAARN COc1cccc(C(=O)N[C@@H](C)c2cccc3ccccc32)c1O ZINC000014117753 563427419 /nfs/dbraw/zinc/42/74/19/563427419.db2.gz ZIXIYGXSWRIVJI-ZDUSSCGKSA-N 0 0 321.376 4.045 50 0 DIAARN Cc1nc(-c2cccc(NC(=O)c3cc(C)ccc3O)c2)cs1 ZINC000027025431 563427452 /nfs/dbraw/zinc/42/74/52/563427452.db2.gz VPHSBGWRGQJFDY-UHFFFAOYSA-N 0 0 324.405 4.385 50 0 DIAARN COc1cc(Cl)c(NC(=O)c2cc(C)cc(C)c2)cc1OC ZINC000011013846 563427487 /nfs/dbraw/zinc/42/74/87/563427487.db2.gz KDAUKNLBJYRRDK-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN CCOC(=O)[C@@H]1Sc2ccccc2N[C@H]1c1ccc(F)cc1 ZINC000027526292 563428031 /nfs/dbraw/zinc/42/80/31/563428031.db2.gz ZYEVIBONAYZRHO-JKSUJKDBSA-N 0 0 317.385 4.016 50 0 DIAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027582408 563428651 /nfs/dbraw/zinc/42/86/51/563428651.db2.gz XHOWMIJTHYDYMP-UHFFFAOYSA-N 0 0 322.364 4.219 50 0 DIAARN CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC000027818692 563429941 /nfs/dbraw/zinc/42/99/41/563429941.db2.gz KJYDXIQNMNXSEV-INIZCTEOSA-N 0 0 303.764 4.239 50 0 DIAARN C[C@@H]1CCc2noc(NC(=O)c3cccc4ccccc43)c2C1 ZINC000027794685 563430039 /nfs/dbraw/zinc/43/00/39/563430039.db2.gz KGLKPMGVRBVGMW-GFCCVEGCSA-N 0 0 306.365 4.205 50 0 DIAARN Cc1ccc(SC[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028403394 563431495 /nfs/dbraw/zinc/43/14/95/563431495.db2.gz LHEVISICGQGQTD-AWEZNQCLSA-N 0 0 308.830 4.180 50 0 DIAARN CCOC(=O)c1c(C)[nH]c(-c2nc(C3CC3)sc2C)c1C ZINC000028334953 563431694 /nfs/dbraw/zinc/43/16/94/563431694.db2.gz LJOICIOQVPUOFJ-UHFFFAOYSA-N 0 0 304.415 4.118 50 0 DIAARN Cc1nc(C2(NC(=O)CCC3CCCCC3)CCCCC2)no1 ZINC000028617201 563432316 /nfs/dbraw/zinc/43/23/16/563432316.db2.gz VRULMUCZSNEMKD-UHFFFAOYSA-N 0 0 319.449 4.014 50 0 DIAARN COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000028758313 563432520 /nfs/dbraw/zinc/43/25/20/563432520.db2.gz DFGHWXSDNFXULD-AWEZNQCLSA-N 0 0 312.413 4.258 50 0 DIAARN C[C@H]1c2cccn2CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000029379681 563433638 /nfs/dbraw/zinc/43/36/38/563433638.db2.gz KMTPMWDIQATVTF-INIZCTEOSA-N 0 0 324.468 4.322 50 0 DIAARN Fc1ccc(Oc2ncnc3ccccc32)c(Br)c1 ZINC000029165596 563433792 /nfs/dbraw/zinc/43/37/92/563433792.db2.gz NHPIVGDGFNGPLX-UHFFFAOYSA-N 0 0 319.133 4.324 50 0 DIAARN C[C@@H](Sc1nc2ccccc2[nH]1)c1nc(-c2ccco2)no1 ZINC000029738099 563435274 /nfs/dbraw/zinc/43/52/74/563435274.db2.gz PQKGXGHHCDGPHN-SECBINFHSA-N 0 0 312.354 4.059 50 0 DIAARN CC(C)S(=O)(=O)Cc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000072290451 563436025 /nfs/dbraw/zinc/43/60/25/563436025.db2.gz KNOVGDFQFBJUSH-OAHLLOKOSA-N 0 0 317.454 4.183 50 0 DIAARN Cc1cccc([C@@H](C)C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000072292355 563437335 /nfs/dbraw/zinc/43/73/35/563437335.db2.gz XZUMOBQDWNPTEG-ZBFHGGJFSA-N 0 0 314.454 4.309 50 0 DIAARN CCN(c1ccc(NC(=O)Cc2ccccc2C)cc1)C(C)C ZINC000030638999 563437494 /nfs/dbraw/zinc/43/74/94/563437494.db2.gz NMLWSRSVRSXNJF-UHFFFAOYSA-N 0 0 310.441 4.411 50 0 DIAARN O=C(Nc1cccc2nsnc21)C1(c2ccccc2)CCCC1 ZINC000030822875 563438962 /nfs/dbraw/zinc/43/89/62/563438962.db2.gz HOVUQSUVLXBKAY-UHFFFAOYSA-N 0 0 323.421 4.142 50 0 DIAARN O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000031031594 563440038 /nfs/dbraw/zinc/44/00/38/563440038.db2.gz BCISPUKHSAIKKO-QGZVFWFLSA-N 0 0 316.351 4.012 50 0 DIAARN Cc1ccc(Cl)c(NC(=O)OCC(F)(F)F)c1Cl ZINC000032628765 563443555 /nfs/dbraw/zinc/44/35/55/563443555.db2.gz MKGFZBUNKZVVLL-UHFFFAOYSA-N 0 0 302.079 4.413 50 0 DIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)c(F)c1 ZINC000033270561 563444749 /nfs/dbraw/zinc/44/47/49/563444749.db2.gz BISNQAUZRIFOHG-OAHLLOKOSA-N 0 0 317.364 4.108 50 0 DIAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000033270512 563445085 /nfs/dbraw/zinc/44/50/85/563445085.db2.gz KBRZWNPDZCCAGU-CQSZACIVSA-N 0 0 319.792 4.314 50 0 DIAARN Cc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 ZINC000000170984 563446930 /nfs/dbraw/zinc/44/69/30/563446930.db2.gz VLIHGYIODFUDOC-UHFFFAOYSA-N 0 0 318.376 4.221 50 0 DIAARN COc1cccc(OC)c1-c1nnc(-c2ccccc2Cl)o1 ZINC000000212024 563447042 /nfs/dbraw/zinc/44/70/42/563447042.db2.gz PUNQVNFVQWHUAK-UHFFFAOYSA-N 0 0 316.744 4.074 50 0 DIAARN Cc1c(C)c(Br)cc(C(=O)N2CCCCCC2)c1C ZINC000000310305 563447493 /nfs/dbraw/zinc/44/74/93/563447493.db2.gz DFDQFCJMCSOKMW-UHFFFAOYSA-N 0 0 324.262 4.391 50 0 DIAARN O=C(Cc1ccccc1)Nc1ccc(Oc2cccnc2)cc1 ZINC000000316841 563447556 /nfs/dbraw/zinc/44/75/56/563447556.db2.gz CDBOSNALFRSCCD-UHFFFAOYSA-N 0 0 304.349 4.055 50 0 DIAARN Fc1ccccc1-c1nc2ccccc2c(NC[C@H]2CCCO2)n1 ZINC000000269139 563447572 /nfs/dbraw/zinc/44/75/72/563447572.db2.gz AHDGGVHLFYUQKT-CYBMUJFWSA-N 0 0 323.371 4.027 50 0 DIAARN COc1cccc(OCCOc2cccc3ccc(C)nc32)c1 ZINC000002825483 563449043 /nfs/dbraw/zinc/44/90/43/563449043.db2.gz FEEIKSMKDKDIQR-UHFFFAOYSA-N 0 0 309.365 4.010 50 0 DIAARN CC(=O)C(N=Nc1ccccc1)=C(C)N[C@H](C)c1ccccc1 ZINC000022588716 563449651 /nfs/dbraw/zinc/44/96/51/563449651.db2.gz HGYQILNPJXHBSR-XKOHSDLESA-N 0 0 307.397 4.266 50 0 DIAARN COc1ccccc1CCNc1cc(C)c2cccc(OC)c2n1 ZINC000023634194 563450341 /nfs/dbraw/zinc/45/03/41/563450341.db2.gz UULYQHNYSAGQOP-UHFFFAOYSA-N 0 0 322.408 4.215 50 0 DIAARN COc1ccc(NC(=S)Nc2nc3ccccc3s2)cc1 ZINC000034513480 563450364 /nfs/dbraw/zinc/45/03/64/563450364.db2.gz MRCUZFIXXBOXFW-UHFFFAOYSA-N 0 0 315.423 4.114 50 0 DIAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000100096110 563451169 /nfs/dbraw/zinc/45/11/69/563451169.db2.gz AXWYLXKJHLTUFA-HDICACEKSA-N 0 0 321.376 4.159 50 0 DIAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CC1 ZINC000032963849 563452084 /nfs/dbraw/zinc/45/20/84/563452084.db2.gz DPTMZYAQORZKKC-UHFFFAOYSA-N 0 0 312.335 4.044 50 0 DIAARN C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccc(F)cc3)cc2C1 ZINC000032967342 563452558 /nfs/dbraw/zinc/45/25/58/563452558.db2.gz VTZZFPZMPYTARV-GFCCVEGCSA-N 0 0 317.429 4.284 50 0 DIAARN COc1cccc(Nc2c(-c3ccccc3)nc3cnccn32)c1 ZINC000035616202 563453408 /nfs/dbraw/zinc/45/34/08/563453408.db2.gz GRGVIOJYHBMBJV-UHFFFAOYSA-N 0 0 316.364 4.149 50 0 DIAARN CCCCc1cc(Br)c(N)c(Br)c1 ZINC000036532765 563455278 /nfs/dbraw/zinc/45/52/78/563455278.db2.gz HVEXPCBRDISAGF-UHFFFAOYSA-N 0 0 307.029 4.136 50 0 DIAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036621161 563456705 /nfs/dbraw/zinc/45/67/05/563456705.db2.gz WICNXSKROGRIRX-MRXNPFEDSA-N 0 0 320.314 4.473 50 0 DIAARN CC(C)(C)CC(=O)Nc1cnc(-c2cccc(Cl)c2)nc1 ZINC000097938580 563460639 /nfs/dbraw/zinc/46/06/39/563460639.db2.gz XZERGOROSJWSQC-UHFFFAOYSA-N 0 0 303.793 4.172 50 0 DIAARN Cc1ccc(C(=O)Nc2cnc(-c3ccc(C)cc3)nc2)s1 ZINC000097938515 563460929 /nfs/dbraw/zinc/46/09/29/563460929.db2.gz ZMALIOZWHGNLAV-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN Fc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3ccccc32)cc1 ZINC000033012178 563461894 /nfs/dbraw/zinc/46/18/94/563461894.db2.gz MTEPKFUXNDZUGT-HNNXBMFYSA-N 0 0 323.371 4.027 50 0 DIAARN Cc1ccc2c(N)c(C(=O)c3ccc(Cl)s3)sc2n1 ZINC000044903018 563463682 /nfs/dbraw/zinc/46/36/82/563463682.db2.gz SHHSFDOBTLZBIX-UHFFFAOYSA-N 0 0 308.815 4.133 50 0 DIAARN CCCC(=O)Nc1nc2cc(NC(=O)CC(C)C)ccc2s1 ZINC000033020474 563464767 /nfs/dbraw/zinc/46/47/67/563464767.db2.gz DUHOHMUWRPVWQF-UHFFFAOYSA-N 0 0 319.430 4.020 50 0 DIAARN Cc1csc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000072313438 563465291 /nfs/dbraw/zinc/46/52/91/563465291.db2.gz TZAOFBDRLPSITK-UHFFFAOYSA-N 0 0 319.405 4.002 50 0 DIAARN C[C@H](NC(=O)c1ccc[nH]c1=S)c1csc2ccccc21 ZINC000071879560 563465342 /nfs/dbraw/zinc/46/53/42/563465342.db2.gz DHRRHPYPUOBOGE-JTQLQIEISA-N 0 0 314.435 4.076 50 0 DIAARN C[C@H](O)c1cccc(OCc2csc(C3CCCC3)n2)c1 ZINC000072313880 563465723 /nfs/dbraw/zinc/46/57/23/563465723.db2.gz WTRYDQKBEXKKRM-LBPRGKRZSA-N 0 0 303.427 4.433 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)on1 ZINC000047346901 563466314 /nfs/dbraw/zinc/46/63/14/563466314.db2.gz NFSNMPSWMJVQEO-AWEZNQCLSA-N 0 0 319.792 4.314 50 0 DIAARN O=C1CCCc2nc(-c3ccccc3Br)sc21 ZINC000050329721 563468382 /nfs/dbraw/zinc/46/83/82/563468382.db2.gz KFMDXWVXJKARCP-UHFFFAOYSA-N 0 0 308.200 4.092 50 0 DIAARN Cc1ccc(-c2cccc3c(C(=O)NC4CC4)cc(C)nc23)cc1 ZINC000033036902 563469739 /nfs/dbraw/zinc/46/97/39/563469739.db2.gz YNRLJRXQTBONSP-UHFFFAOYSA-N 0 0 316.404 4.411 50 0 DIAARN Cc1ccc2c(c1)nc(C)cc2C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000055061071 563471008 /nfs/dbraw/zinc/47/10/08/563471008.db2.gz NLNDMDISGKQZTG-HNNXBMFYSA-N 0 0 319.408 4.080 50 0 DIAARN CC1(NC(=O)CSc2ccnc3cc(Cl)ccc32)CCC1 ZINC000055175522 563471904 /nfs/dbraw/zinc/47/19/04/563471904.db2.gz QXUKBCDVAIWPMX-UHFFFAOYSA-N 0 0 320.845 4.039 50 0 DIAARN CCCCN(Cc1ccco1)C(=O)c1sc(C)nc1CC ZINC000055199672 563473030 /nfs/dbraw/zinc/47/30/30/563473030.db2.gz SSKWUHBGMHJVEE-UHFFFAOYSA-N 0 0 306.431 4.049 50 0 DIAARN CCCN(Cc1ccccc1OC)C(=O)c1cc(C)c(C)s1 ZINC000055368907 563474307 /nfs/dbraw/zinc/47/43/07/563474307.db2.gz ZPLWREIVIHJEDR-UHFFFAOYSA-N 0 0 317.454 4.426 50 0 DIAARN CC[C@H](C)N(Cc1ccccc1F)C(=O)c1ccc(COC)o1 ZINC000055343627 563474832 /nfs/dbraw/zinc/47/48/32/563474832.db2.gz LTZDPBZAMUHLTH-ZDUSSCGKSA-N 0 0 319.376 4.006 50 0 DIAARN C[C@@H](c1cccnc1)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055386338 563475455 /nfs/dbraw/zinc/47/54/55/563475455.db2.gz RKJJUNXAYYKDRU-KMYSJOAASA-N 0 0 312.457 4.208 50 0 DIAARN Cc1ccccc1Oc1ncccc1CNCc1cccc(O)c1 ZINC000055414867 563475708 /nfs/dbraw/zinc/47/57/08/563475708.db2.gz LSFUQMQXFICXJT-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN COCCN(Cc1nc(C(C)C)cs1)Cc1ccccc1F ZINC000055568825 563476629 /nfs/dbraw/zinc/47/66/29/563476629.db2.gz HCMJFWWWQPWOHW-UHFFFAOYSA-N 0 0 322.449 4.054 50 0 DIAARN Cc1ccc(NC(=O)c2ccc[nH]2)c(OCc2ccccc2)c1 ZINC000058427077 563478604 /nfs/dbraw/zinc/47/86/04/563478604.db2.gz AHQJSERYQJOXKB-UHFFFAOYSA-N 0 0 306.365 4.154 50 0 DIAARN Cc1nc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)cs1 ZINC000096410978 563480340 /nfs/dbraw/zinc/48/03/40/563480340.db2.gz FDLPMFTZYNBFEH-UHFFFAOYSA-N 0 0 312.797 4.299 50 0 DIAARN C[C@@H](c1cccs1)[S@@](=O)Cc1ncc(-c2cccs2)o1 ZINC000096461115 563482947 /nfs/dbraw/zinc/48/29/47/563482947.db2.gz XXGHXQXQOAEVAO-WVDJIFEKSA-N 0 0 323.464 4.475 50 0 DIAARN O=C(CC[C@@H]1CCCO1)Nc1ccccc1CCC(F)(F)F ZINC000096462304 563483643 /nfs/dbraw/zinc/48/36/43/563483643.db2.gz YZGWMICJPJTPKR-ZDUSSCGKSA-N 0 0 315.335 4.079 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2cccc(C)c2C)on1 ZINC000064985010 563486688 /nfs/dbraw/zinc/48/66/88/563486688.db2.gz NHMYLKYCORAUTK-MRXNPFEDSA-N 0 0 313.401 4.223 50 0 DIAARN Cc1oc(-c2cccs2)nc1-c1nccn1Cc1ccccn1 ZINC000067541271 563487617 /nfs/dbraw/zinc/48/76/17/563487617.db2.gz KKJUAMWKUBGTJT-UHFFFAOYSA-N 0 0 322.393 4.018 50 0 DIAARN CC(=O)Nc1cccc(-c2cc(C(F)(F)F)cc3[nH]cnc32)c1 ZINC000067697177 563489530 /nfs/dbraw/zinc/48/95/30/563489530.db2.gz FZPALISFZWALKG-UHFFFAOYSA-N 0 0 319.286 4.207 50 0 DIAARN CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1ccc(Cl)nc1 ZINC000067739975 563489707 /nfs/dbraw/zinc/48/97/07/563489707.db2.gz ZOBQSRKZFKMHHJ-OAHLLOKOSA-N 0 0 320.820 4.202 50 0 DIAARN CCc1cnc(NCc2cccnc2Oc2ccccc2C)nc1 ZINC000067770819 563490584 /nfs/dbraw/zinc/49/05/84/563490584.db2.gz RPFINRCYFRODLO-UHFFFAOYSA-N 0 0 320.396 4.147 50 0 DIAARN OCc1ccccc1-c1ccc2oc(-c3cccnc3)nc2c1 ZINC000067756758 563490623 /nfs/dbraw/zinc/49/06/23/563490623.db2.gz GWXPIGVEWJYRGD-UHFFFAOYSA-N 0 0 302.333 4.049 50 0 DIAARN Cc1cccc(-c2nccn2Cc2nc(C(C)(C)C)cs2)n1 ZINC000067846790 563492158 /nfs/dbraw/zinc/49/21/58/563492158.db2.gz PJIJRONRCHDZRU-UHFFFAOYSA-N 0 0 312.442 4.056 50 0 DIAARN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000067867293 563492242 /nfs/dbraw/zinc/49/22/42/563492242.db2.gz IKZOXXDZSXIBDY-ZWKOTPCHSA-N 0 0 313.828 4.492 50 0 DIAARN Cc1nc(C(F)(F)F)nc(-c2cnc3ccccc3c2)c1C ZINC000067850716 563492685 /nfs/dbraw/zinc/49/26/85/563492685.db2.gz CFIYUNFYYUEXRS-UHFFFAOYSA-N 0 0 303.287 4.327 50 0 DIAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C)cc2)n1 ZINC000000023658 563495100 /nfs/dbraw/zinc/49/51/00/563495100.db2.gz UCGSJXFLRUQOTH-UHFFFAOYSA-N 0 0 316.360 4.478 50 0 biogenic DIAARN Cc1nc(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)cs1 ZINC000069343661 563496219 /nfs/dbraw/zinc/49/62/19/563496219.db2.gz HUGGBBIDNSGJQM-UHFFFAOYSA-N 0 0 322.433 4.391 50 0 DIAARN COc1ccc(NC(=O)c2cccnc2-c2cccs2)cc1 ZINC000033139014 563497148 /nfs/dbraw/zinc/49/71/48/563497148.db2.gz BEGOAUKQMFQLBT-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000071281729 563498469 /nfs/dbraw/zinc/49/84/69/563498469.db2.gz DJNHJGGHCDHQFC-HNNXBMFYSA-N 0 0 311.385 4.130 50 0 DIAARN C[C@]12CCc3ccccc3[C@]1(C)N(CCc1ccccc1)C(=O)O2 ZINC000004686488 563498505 /nfs/dbraw/zinc/49/85/05/563498505.db2.gz KAINGYYOEYQZJU-SFTDATJTSA-N 0 0 321.420 4.302 50 0 DIAARN Cc1nn2c(nccc2-c2ccccn2)c1-c1cccc(Cl)c1 ZINC000071384961 563498847 /nfs/dbraw/zinc/49/88/47/563498847.db2.gz IDRDZXPJBKMIGG-UHFFFAOYSA-N 0 0 320.783 4.420 50 0 DIAARN Clc1ccc(-c2ccnc3nc(-c4ccccc4)nn32)cc1 ZINC000071385426 563498944 /nfs/dbraw/zinc/49/89/44/563498944.db2.gz HQIVIDAPEYWYMP-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN C[C@H](CCn1cccn1)n1ccnc1-c1ccc2occc2c1 ZINC000071422332 563499465 /nfs/dbraw/zinc/49/94/65/563499465.db2.gz CDMLSCWOFNZLEQ-CQSZACIVSA-N 0 0 306.369 4.144 50 0 DIAARN C[C@@H](c1cccs1)n1ccnc1-c1cnc(-c2ccco2)nc1 ZINC000071416364 563499485 /nfs/dbraw/zinc/49/94/85/563499485.db2.gz UPTMANJNCBDJQA-LBPRGKRZSA-N 0 0 322.393 4.271 50 0 DIAARN Cc1ccc(/C=C/CCN2C(=O)c3ccccc3C2=O)cc1C ZINC000071405426 563499590 /nfs/dbraw/zinc/49/95/90/563499590.db2.gz IBNTYOZFWPEUJQ-FNORWQNLSA-N 0 0 305.377 4.003 50 0 DIAARN Cc1cccc(CNC(=O)c2cc(C)nc3c(C)cccc23)c1 ZINC000033252830 563501961 /nfs/dbraw/zinc/50/19/61/563501961.db2.gz KAJKLWCOFIBSAI-UHFFFAOYSA-N 0 0 304.393 4.090 50 0 DIAARN Cc1ccc(CNC(=O)c2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000033252856 563502033 /nfs/dbraw/zinc/50/20/33/563502033.db2.gz IIXGEHBIIJBIAB-UHFFFAOYSA-N 0 0 318.420 4.398 50 0 DIAARN Cc1ccc(SCc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000011239746 563504894 /nfs/dbraw/zinc/50/48/94/563504894.db2.gz BQVBJASWEBEYHY-UHFFFAOYSA-N 0 0 312.390 4.408 50 0 DIAARN CC1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000011240031 563504903 /nfs/dbraw/zinc/50/49/03/563504903.db2.gz PSDJQZIRYFFVOU-UHFFFAOYSA-N 0 0 317.820 4.039 50 0 DIAARN CCOc1cc(F)ccc1NC(=O)Nc1cc(C)ccc1C ZINC000097164650 563507709 /nfs/dbraw/zinc/50/77/09/563507709.db2.gz VXHYAIIYPRQVPB-UHFFFAOYSA-N 0 0 302.349 4.485 50 0 DIAARN Cc1cc(=O)oc2cc(Cl)c(OCc3ccccc3)cc12 ZINC000000036223 563507815 /nfs/dbraw/zinc/50/78/15/563507815.db2.gz MXOUNIHPJCWDFZ-UHFFFAOYSA-N 0 0 300.741 4.334 50 0 biogenic,in-vitro DIAARN Cc1ccccc1-c1nc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)no1 ZINC000097164458 563507882 /nfs/dbraw/zinc/50/78/82/563507882.db2.gz HGJOLKKERRFZTB-XJKSGUPXSA-N 0 0 323.396 4.051 50 0 DIAARN O=C(c1cccs1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000077355837 563508940 /nfs/dbraw/zinc/50/89/40/563508940.db2.gz XCTAMRWPWDGOAG-OAHLLOKOSA-N 0 0 315.438 4.081 50 0 DIAARN c1coc([C@@H]2CCCCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353864 563509138 /nfs/dbraw/zinc/50/91/38/563509138.db2.gz TWYBHMJJVNAKJQ-INIZCTEOSA-N 0 0 323.396 4.447 50 0 DIAARN CC(C)c1nc(CN(C)Cc2ccc(O)c(Cl)c2)cs1 ZINC000077323141 563509209 /nfs/dbraw/zinc/50/92/09/563509209.db2.gz WJPLRKYCSGQUSA-UHFFFAOYSA-N 0 0 310.850 4.258 50 0 DIAARN CC(C)c1noc([C@H]2CCCN2Cc2cc3ccccc3o2)n1 ZINC000077428945 563509751 /nfs/dbraw/zinc/50/97/51/563509751.db2.gz ATFHMXJGRAWMJK-OAHLLOKOSA-N 0 0 311.385 4.276 50 0 DIAARN CCc1cc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)ccn1 ZINC000077437968 563510065 /nfs/dbraw/zinc/51/00/65/563510065.db2.gz VMOHZLGIVHBKFH-GOSISDBHSA-N 0 0 312.388 4.151 50 0 DIAARN Clc1ccc2nc(N3CCC[C@@H](c4ncc[nH]4)C3)sc2c1 ZINC000077436268 563510164 /nfs/dbraw/zinc/51/01/64/563510164.db2.gz AEWIMEHWVBNPKY-SNVBAGLBSA-N 0 0 318.833 4.057 50 0 DIAARN CCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000000044004 563511805 /nfs/dbraw/zinc/51/18/05/563511805.db2.gz MPSXKDBRGMXOCS-UHFFFAOYSA-N 0 0 301.411 4.125 50 0 DIAARN CCC[C@@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000097212272 563513413 /nfs/dbraw/zinc/51/34/13/563513413.db2.gz NDVOPQIHBLDDFG-SECBINFHSA-N 0 0 306.303 4.497 50 0 DIAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cccs1 ZINC000000055302 563515107 /nfs/dbraw/zinc/51/51/07/563515107.db2.gz GXTYCIXGTOUVQS-KPKJPENVSA-N 0 0 324.188 4.399 50 0 DIAARN Cc1cc(C)c(NC(=O)Cc2cccc3ccccc32)c(C)n1 ZINC000097039880 563516566 /nfs/dbraw/zinc/51/65/66/563516566.db2.gz GCBJTIJZNFECNP-UHFFFAOYSA-N 0 0 304.393 4.341 50 0 DIAARN C[C@@H]1CCc2cc(F)ccc2N1Cc1nnc(-c2ccccc2)o1 ZINC000004734435 563517962 /nfs/dbraw/zinc/51/79/62/563517962.db2.gz VGMLJFDQVCXSIF-CYBMUJFWSA-N 0 0 323.371 4.217 50 0 DIAARN CCCc1cc(C(=O)N(CC)Cc2c(F)cccc2Cl)no1 ZINC000082093069 563518419 /nfs/dbraw/zinc/51/84/19/563518419.db2.gz WVLIDHPGGFYNCY-UHFFFAOYSA-N 0 0 324.783 4.082 50 0 DIAARN CC(C)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000068234 563518540 /nfs/dbraw/zinc/51/85/40/563518540.db2.gz UPNBLYRZLRODOE-CSKARUKUSA-N 0 0 309.365 4.191 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000084847266 563519959 /nfs/dbraw/zinc/51/99/59/563519959.db2.gz GUZAXQAWJJITPM-UHFFFAOYSA-N 0 0 308.150 4.149 50 0 DIAARN Cn1cc([C@@H]2CCC(=O)N2Cc2ccccc2)c2ccccc21 ZINC000085430392 563520628 /nfs/dbraw/zinc/52/06/28/563520628.db2.gz FLGXWSNZIPBUQV-IBGZPJMESA-N 0 0 304.393 4.042 50 0 DIAARN CN(C(=O)c1ccc(Cl)s1)c1cccc2ncccc21 ZINC000128934505 563521148 /nfs/dbraw/zinc/52/11/48/563521148.db2.gz KSBWWQCXMWHPJB-UHFFFAOYSA-N 0 0 302.786 4.226 50 0 DIAARN COc1cccc(F)c1COc1ccc(Br)cc1 ZINC000086012982 563521804 /nfs/dbraw/zinc/52/18/04/563521804.db2.gz YOHBWBSWCWTOHQ-UHFFFAOYSA-N 0 0 311.150 4.176 50 0 DIAARN Cc1csc(C(=O)N[C@H](c2cccs2)C2CCOCC2)c1 ZINC000585149425 563521976 /nfs/dbraw/zinc/52/19/76/563521976.db2.gz RJUQCQDBDBZXLY-HNNXBMFYSA-N 0 0 321.467 4.016 50 0 DIAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1Cc1ccco1 ZINC000000070075 563522092 /nfs/dbraw/zinc/52/20/92/563522092.db2.gz JEMDFWPKMWYJLD-SFHVURJKSA-N 0 0 322.339 4.185 50 0 DIAARN CCN(CC)C(=O)[C@@H](Nc1ccc(C)c(F)c1)c1ccccc1 ZINC000098081196 563523916 /nfs/dbraw/zinc/52/39/16/563523916.db2.gz WIUOLKYMVKGUAM-SFHVURJKSA-N 0 0 314.404 4.156 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)c2oc3cc(C)ccc3c2C)no1 ZINC000092028758 563526262 /nfs/dbraw/zinc/52/62/62/563526262.db2.gz NGDGNCSZAVCSLL-MRXNPFEDSA-N 0 0 324.380 4.323 50 0 DIAARN Cc1nccn1CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000107690 563526850 /nfs/dbraw/zinc/52/68/50/563526850.db2.gz VYUGDSUSXQZYBT-UHFFFAOYSA-N 0 0 321.405 4.021 50 0 DIAARN Fc1ccc(Br)c(OC(Cl)(Cl)Cl)c1 ZINC000095215636 563528902 /nfs/dbraw/zinc/52/89/02/563528902.db2.gz FDIWGZBCDYIVEX-UHFFFAOYSA-N 0 0 308.361 4.295 50 0 DIAARN Clc1nccc2nc(-c3ccccc3Br)[nH]c21 ZINC000095918570 563530964 /nfs/dbraw/zinc/53/09/64/563530964.db2.gz UJQWYPBWFRNPDW-UHFFFAOYSA-N 0 0 308.566 4.041 50 0 DIAARN CC(C)(C)c1ccc(CCCc2nc([C@H]3CCOC3)no2)cc1 ZINC000096131132 563533390 /nfs/dbraw/zinc/53/33/90/563533390.db2.gz NLTWJEOAYBAUGT-HNNXBMFYSA-N 0 0 314.429 4.046 50 0 DIAARN CCSc1ccccc1NC(=O)NCC1(COC)CCCC1 ZINC000096131135 563533604 /nfs/dbraw/zinc/53/36/04/563533604.db2.gz IFAXQQOXWJUERS-UHFFFAOYSA-N 0 0 322.474 4.127 50 0 DIAARN CC(C)COc1cc(F)cc(-c2ccc3ncnc(N)c3c2)c1 ZINC000096148927 563533811 /nfs/dbraw/zinc/53/38/11/563533811.db2.gz GUCFXFIJXUDTMP-UHFFFAOYSA-N 0 0 311.360 4.053 50 0 DIAARN Cc1nccn1-c1ccc(NC(=O)N[C@H](C)C2=CCCCC2)cc1 ZINC000096162010 563534570 /nfs/dbraw/zinc/53/45/70/563534570.db2.gz MTKJZVQTVIUYSO-CQSZACIVSA-N 0 0 324.428 4.191 50 0 DIAARN CCN(CC)C(=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1 ZINC000096166540 563534685 /nfs/dbraw/zinc/53/46/85/563534685.db2.gz AMNBBYDFIFDCTP-UHFFFAOYSA-N 0 0 321.420 4.428 50 0 DIAARN O=C(Nc1cccc2c1CCCC2)c1ccc(F)c(F)c1F ZINC000096171169 563535819 /nfs/dbraw/zinc/53/58/19/563535819.db2.gz XBOKWUGSFIMUCX-UHFFFAOYSA-N 0 0 305.299 4.235 50 0 DIAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000096316597 563536345 /nfs/dbraw/zinc/53/63/45/563536345.db2.gz DTRRCUQQVYIPNX-RYUDHWBXSA-N 0 0 324.207 4.229 50 0 DIAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccccc2)o1 ZINC000011596227 563537784 /nfs/dbraw/zinc/53/77/84/563537784.db2.gz RRLBLPCRJSRENW-LLVKDONJSA-N 0 0 314.366 4.002 50 0 DIAARN CC(C)n1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000097179327 563537967 /nfs/dbraw/zinc/53/79/67/563537967.db2.gz BDDKKOCDQPIREV-SFHVURJKSA-N 0 0 323.444 4.068 50 0 DIAARN CCOC(=O)c1sc(-c2cccc(N)c2)nc1-c1ccccc1 ZINC000098071529 563543978 /nfs/dbraw/zinc/54/39/78/563543978.db2.gz BYQZYKUCDBXCSW-UHFFFAOYSA-N 0 0 324.405 4.236 50 0 DIAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1 ZINC000100104985 563545901 /nfs/dbraw/zinc/54/59/01/563545901.db2.gz XTQCCCGKPNLRNZ-KRWDZBQOSA-N 0 0 322.799 4.296 50 0 DIAARN CC1(C)CCCC2=C1C[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1C2 ZINC000100469334 563550923 /nfs/dbraw/zinc/55/09/23/563550923.db2.gz HUIBWWOGCNJTFS-HOTGVXAUSA-N 0 0 309.409 4.093 50 0 biogenic DIAARN CCc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)cc1 ZINC000101030627 563555765 /nfs/dbraw/zinc/55/57/65/563555765.db2.gz ZYJHPAGANYPDCP-IBGZPJMESA-N 0 0 316.408 4.205 50 0 DIAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccc(Br)cc1 ZINC000101016036 563555915 /nfs/dbraw/zinc/55/59/15/563555915.db2.gz ATPUVNQVTFXRLO-CQSZACIVSA-N 0 0 316.198 4.036 50 0 DIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1 ZINC000101464090 563557711 /nfs/dbraw/zinc/55/77/11/563557711.db2.gz NNTFSKVPDHOQGX-QXAKKESOSA-N 0 0 319.404 4.068 50 0 DIAARN c1nc2n(n1)[C@H](c1cccc3ccccc31)CC(c1ccccc1)=N2 ZINC000100100955 563558661 /nfs/dbraw/zinc/55/86/61/563558661.db2.gz LETJYNNVXGYIQZ-FQEVSTJZSA-N 0 0 324.387 4.487 50 0 DIAARN Cc1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1 ZINC000101947569 563558681 /nfs/dbraw/zinc/55/86/81/563558681.db2.gz HGMFBLPKHROMTQ-WDSOQIARSA-N 0 0 319.404 4.068 50 0 DIAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000014254585 563565305 /nfs/dbraw/zinc/56/53/05/563565305.db2.gz UHRNLJAEXDCHPC-UHFFFAOYSA-N 0 0 323.845 4.339 50 0 DIAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000000101622 563565438 /nfs/dbraw/zinc/56/54/38/563565438.db2.gz HHCMKNGNVCTEOH-GXDHUFHOSA-N 0 0 317.266 4.050 50 0 DIAARN Cc1cccc(-c2nc3nc(C)cc(Nc4ccccc4)n3n2)c1 ZINC000014610540 563568327 /nfs/dbraw/zinc/56/83/27/563568327.db2.gz CZITZXZOLMSJRM-UHFFFAOYSA-N 0 0 315.380 4.152 50 0 DIAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccs1 ZINC000000103588 563568535 /nfs/dbraw/zinc/56/85/35/563568535.db2.gz NWMMGIPXVZNWHD-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cc(C(F)(F)F)ccn1 ZINC000263639666 563568565 /nfs/dbraw/zinc/56/85/65/563568565.db2.gz CNARNKKZZVBQFU-KPKJPENVSA-N 0 0 324.689 4.247 50 0 DIAARN CCOC(=O)[C@H]1C(=C(C)C)[C@@]1(C)C(=O)c1ccc(Cl)cc1 ZINC000000108567 563570195 /nfs/dbraw/zinc/57/01/95/563570195.db2.gz ONNCEAVOIAMVSY-RHSMWYFYSA-N 0 0 306.789 4.058 50 0 DIAARN CCCc1c2c(nn1-c1ccccc1F)CC(C)(C)CC2=O ZINC000000107085 563570378 /nfs/dbraw/zinc/57/03/78/563570378.db2.gz LYOCUMBIUVGJQC-UHFFFAOYSA-N 0 0 300.377 4.119 50 0 DIAARN Cc1ccc(-c2nc3ccccc3c(NC[C@H]3CCCO3)n2)cc1 ZINC000000109532 563570411 /nfs/dbraw/zinc/57/04/11/563570411.db2.gz ZNEBIGIOXZDJPT-MRXNPFEDSA-N 0 0 319.408 4.196 50 0 DIAARN CC(C)Oc1cccc([C@H]2CC(=O)c3cc(F)ccc3O2)c1 ZINC000000125039 563571368 /nfs/dbraw/zinc/57/13/68/563571368.db2.gz GRGPNZNNKWKELK-GOSISDBHSA-N 0 0 300.329 4.319 50 0 biogenic DIAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000000128644 563571892 /nfs/dbraw/zinc/57/18/92/563571892.db2.gz AODXREWZMDGJJZ-UHFFFAOYSA-N 0 0 323.314 4.340 50 0 DIAARN Cc1ccccc1OCC(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000000130115 563571937 /nfs/dbraw/zinc/57/19/37/563571937.db2.gz RFFRVQCGPLQVIP-UHFFFAOYSA-N 0 0 304.773 4.250 50 0 DIAARN COc1ccc2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000143898 563572870 /nfs/dbraw/zinc/57/28/70/563572870.db2.gz ONOCXTXQYPUXOI-UHFFFAOYSA-N 0 0 307.397 4.361 50 0 DIAARN CCOc1ccc(-c2csc(NC(=O)C=C(C)C)n2)cc1 ZINC000000145659 563573232 /nfs/dbraw/zinc/57/32/32/563573232.db2.gz YJURJFUQYJYWPH-UHFFFAOYSA-N 0 0 302.399 4.114 50 0 DIAARN CCOC(=O)c1cnc2ccc(C)cc2c1NC1CCCCC1 ZINC000000144051 563573423 /nfs/dbraw/zinc/57/34/23/563573423.db2.gz WKYKJVWOLVDDTN-UHFFFAOYSA-N 0 0 312.413 4.465 50 0 DIAARN COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 ZINC000000175493 563574714 /nfs/dbraw/zinc/57/47/14/563574714.db2.gz BBYATSRYEIYRON-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc2ccccc12 ZINC000000176671 563575146 /nfs/dbraw/zinc/57/51/46/563575146.db2.gz ZTTLBDUYTDNPLC-LDADJPATSA-N 0 0 317.319 4.323 50 0 DIAARN COc1cc2c(cc1OC)C(Cc1ccccc1)=NC(C)(C)C2 ZINC000000183733 563576144 /nfs/dbraw/zinc/57/61/44/563576144.db2.gz HRSZGKQLHQQWIK-UHFFFAOYSA-N 0 0 309.409 4.070 50 0 biogenic DIAARN CCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000000194895 563576846 /nfs/dbraw/zinc/57/68/46/563576846.db2.gz AFKHNCBYFXVUMY-UHFFFAOYSA-N 0 0 301.411 4.278 50 0 DIAARN CC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000000200544 563577518 /nfs/dbraw/zinc/57/75/18/563577518.db2.gz ZHXBRLQKSGXFNC-GFCCVEGCSA-N 0 0 310.422 4.492 50 0 DIAARN Cc1ccc(N2COc3ccc(Br)cc3C2)cc1C ZINC000000205630 563577961 /nfs/dbraw/zinc/57/79/61/563577961.db2.gz IGLFJBCZOXGSEV-UHFFFAOYSA-N 0 0 318.214 4.422 50 0 DIAARN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1 ZINC000000203493 563577985 /nfs/dbraw/zinc/57/79/85/563577985.db2.gz YURSTMZQCGYFHR-UHFFFAOYSA-N 0 0 319.389 4.315 50 0 DIAARN Cc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1 ZINC000000224629 563579904 /nfs/dbraw/zinc/57/99/04/563579904.db2.gz YFKLSOUHPOOWQT-UHFFFAOYSA-N 0 0 312.394 4.301 50 0 DIAARN CCOc1ccc(C(=O)Nc2ccc(OC)c3ccccc23)cc1 ZINC000000244061 563581051 /nfs/dbraw/zinc/58/10/51/563581051.db2.gz LVPUEXRBOKXVIE-UHFFFAOYSA-N 0 0 321.376 4.499 50 0 DIAARN O=c1oc2ccccc2cc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000000244850 563581268 /nfs/dbraw/zinc/58/12/68/563581268.db2.gz BKSIRJBXYHOZTL-UHFFFAOYSA-N 0 0 324.723 4.163 50 0 DIAARN COc1cc(OC)cc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000000252044 563582366 /nfs/dbraw/zinc/58/23/66/563582366.db2.gz XZBSUSLRCLANIF-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000000263513 563583194 /nfs/dbraw/zinc/58/31/94/563583194.db2.gz QPVQSKWTVLSGRA-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN CCC[C@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1 ZINC000011692485 563587911 /nfs/dbraw/zinc/58/79/11/563587911.db2.gz JRNGOWRXVZESGX-IBGZPJMESA-N 0 0 324.424 4.257 50 0 DIAARN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000000317845 563588183 /nfs/dbraw/zinc/58/81/83/563588183.db2.gz MOKVTKRDFRFAKU-UHFFFAOYSA-N 0 0 324.424 4.326 50 0 DIAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc2ccccc12 ZINC000000315792 563588321 /nfs/dbraw/zinc/58/83/21/563588321.db2.gz SYNSWMIOHVBZPT-LDADJPATSA-N 0 0 317.319 4.323 50 0 DIAARN COc1cccc(C(=O)Nc2ccc3ccccc3c2)c1OC ZINC000000363617 563590690 /nfs/dbraw/zinc/59/06/90/563590690.db2.gz MSZSHUWNRXKJGA-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN O=c1oc(CSCc2ccccc2)nc2cc(Cl)ccc12 ZINC000000367657 563590815 /nfs/dbraw/zinc/59/08/15/563590815.db2.gz GIOVCZRCNRUMJO-UHFFFAOYSA-N 0 0 317.797 4.275 50 0 DIAARN CC[C@H](NC(=O)c1c(Cl)cnn1C)c1ccc(C(C)C)cc1 ZINC000000374516 563591338 /nfs/dbraw/zinc/59/13/38/563591338.db2.gz RTLFXMXCVWPPEF-HNNXBMFYSA-N 0 0 319.836 4.078 50 0 DIAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000000374555 563591442 /nfs/dbraw/zinc/59/14/42/563591442.db2.gz AWZQXYQFOSWMGP-CVEARBPZSA-N 0 0 315.800 4.399 50 0 DIAARN CC(C)(C)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000000384246 563591673 /nfs/dbraw/zinc/59/16/73/563591673.db2.gz PLOOZJFSOPZZTQ-UHFFFAOYSA-N 0 0 320.436 4.438 50 0 DIAARN Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000000387921 563595163 /nfs/dbraw/zinc/59/51/63/563595163.db2.gz SOMQJZJIKDWNAH-UHFFFAOYSA-N 0 0 317.772 4.062 50 0 DIAARN Cc1ccc(Cc2cnc(NC(=O)C3CC3)s2)cc1Cl ZINC000005000422 563595737 /nfs/dbraw/zinc/59/57/37/563595737.db2.gz VHVGRUCOHUNZBI-UHFFFAOYSA-N 0 0 306.818 4.044 50 0 DIAARN O=C(NCc1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1 ZINC000046543676 563596524 /nfs/dbraw/zinc/59/65/24/563596524.db2.gz UJPDQKKSSLXZRL-UHFFFAOYSA-N 0 0 319.191 4.405 50 0 DIAARN CCC(CC)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000005083862 563596700 /nfs/dbraw/zinc/59/67/00/563596700.db2.gz GVDBRTUMAAUWHJ-UHFFFAOYSA-N 0 0 313.426 4.438 50 0 DIAARN CSc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 ZINC000011836559 563599875 /nfs/dbraw/zinc/59/98/75/563599875.db2.gz VOJWLNVLPFWWHS-INIZCTEOSA-N 0 0 315.463 4.372 50 0 DIAARN Cn1c2c(ccc3ccccc23)s/c1=N/C(=O)c1ccccc1 ZINC000011847332 563599904 /nfs/dbraw/zinc/59/99/04/563599904.db2.gz PTYZQLSTXMBJIK-FMQUCBEESA-N 0 0 318.401 4.134 50 0 DIAARN Cc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c(C)c1 ZINC000011914566 563601641 /nfs/dbraw/zinc/60/16/41/563601641.db2.gz GMSDWNWAKMJLRK-UHFFFAOYSA-N 0 0 321.376 4.279 50 0 DIAARN O=C(c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000011914619 563601930 /nfs/dbraw/zinc/60/19/30/563601930.db2.gz OCQSNDCSFIWTLX-UHFFFAOYSA-N 0 0 312.756 4.175 50 0 DIAARN Cc1cccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 ZINC000011915873 563602259 /nfs/dbraw/zinc/60/22/59/563602259.db2.gz CPMGKXIYSPWQMS-UHFFFAOYSA-N 0 0 320.367 4.376 50 0 DIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000248245188 563602978 /nfs/dbraw/zinc/60/29/78/563602978.db2.gz LKYUAUFZPFYKFQ-FHWLQOOXSA-N 0 0 321.420 4.162 50 0 DIAARN COCc1ccccc1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000044549960 563603348 /nfs/dbraw/zinc/60/33/48/563603348.db2.gz STRITDITBDGBTD-UHFFFAOYSA-N 0 0 313.372 4.033 50 0 DIAARN O=C(Cc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000000418047 563608803 /nfs/dbraw/zinc/60/88/03/563608803.db2.gz PLFGTMMVDPQTPO-UHFFFAOYSA-N 0 0 320.417 4.090 50 0 DIAARN O=C(Nc1cccc(CCCO)c1)c1ccc(C2CCC2)cc1 ZINC000252498698 563610332 /nfs/dbraw/zinc/61/03/32/563610332.db2.gz RIVCKSAYEVQYGS-UHFFFAOYSA-N 0 0 309.409 4.131 50 0 DIAARN Clc1ccc2nc(-c3cccnc3)c(NC3CCCC3)n2c1 ZINC000000417120 563611284 /nfs/dbraw/zinc/61/12/84/563611284.db2.gz HRCHPMLQSINLRP-UHFFFAOYSA-N 0 0 312.804 4.404 50 0 DIAARN Fc1ccc(-n2c(-c3cccs3)nnc2-c2ccncc2)cc1 ZINC000000411179 563611544 /nfs/dbraw/zinc/61/15/44/563611544.db2.gz GQCWXVNJARYVEZ-UHFFFAOYSA-N 0 0 322.368 4.197 50 0 DIAARN CC[C@@H](Cc1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000000425025 563611994 /nfs/dbraw/zinc/61/19/94/563611994.db2.gz VWEKHUGVXIUUKR-AWEZNQCLSA-N 0 0 310.422 4.253 50 0 DIAARN CC(C)c1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000000428549 563612862 /nfs/dbraw/zinc/61/28/62/563612862.db2.gz BYRACCUSNXAOOY-UHFFFAOYSA-N 0 0 306.409 4.483 50 0 DIAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000000429445 563613304 /nfs/dbraw/zinc/61/33/04/563613304.db2.gz MMXGULVVRIJJEO-UHFFFAOYSA-N 0 0 324.302 4.105 50 0 DIAARN Cc1cccc(-n2ncc3c2ncnc3NC2CCCCCC2)c1 ZINC000000426469 563613337 /nfs/dbraw/zinc/61/33/37/563613337.db2.gz OKOFUTGEKUGDDL-UHFFFAOYSA-N 0 0 321.428 4.259 50 0 DIAARN Cc1cccc(NC(=O)CSc2cn(C)c3ccccc23)c1 ZINC000000425860 563613348 /nfs/dbraw/zinc/61/33/48/563613348.db2.gz LDBXFGLJFRGKCK-UHFFFAOYSA-N 0 0 310.422 4.218 50 0 DIAARN Cc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1 ZINC000000430399 563613709 /nfs/dbraw/zinc/61/37/09/563613709.db2.gz IJDRJOCCIOBSTP-CPNJWEJPSA-N 0 0 313.356 4.493 50 0 DIAARN CCOc1ncccc1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000430437 563613980 /nfs/dbraw/zinc/61/39/80/563613980.db2.gz MCMDOELBLJSAKZ-UHFFFAOYSA-N 0 0 318.376 4.400 50 0 DIAARN C[C@@H]1CC2(C)C[C@@H](C)C1(COC(=O)Nc1ccccc1)CO2 ZINC000000215127 563614619 /nfs/dbraw/zinc/61/46/19/563614619.db2.gz SDCHRXKTPFRXAD-JDPPGYRCSA-N 0 0 303.402 4.076 50 0 DIAARN CC(C)c1nc([C@H]2CCCN2Cc2cccc3cccnc32)no1 ZINC000075581718 563616668 /nfs/dbraw/zinc/61/66/68/563616668.db2.gz GZQGZRBIYBLUKN-MRXNPFEDSA-N 0 0 322.412 4.078 50 0 DIAARN Cc1csc(-c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)n1 ZINC000075291897 563616716 /nfs/dbraw/zinc/61/67/16/563616716.db2.gz CYLCTUWRYSWWFB-JSGCOSHPSA-N 0 0 314.454 4.379 50 0 DIAARN CC(C)C[C@@H](Nc1ccccc1)c1nnnn1C1CCCCC1 ZINC000001020822 563619763 /nfs/dbraw/zinc/61/97/63/563619763.db2.gz FOKONLLSJNFPNQ-QGZVFWFLSA-N 0 0 313.449 4.378 50 0 DIAARN COc1ccc(C(=O)COc2ccc3ccccc3c2)cc1OC ZINC000002632591 563621588 /nfs/dbraw/zinc/62/15/88/563621588.db2.gz IZGQLHRSZUNBGW-UHFFFAOYSA-N 0 0 322.360 4.119 50 0 DIAARN Cc1cccc2sc(NC(=O)/C=C/c3ccc(F)cc3)nc21 ZINC000003284122 563622327 /nfs/dbraw/zinc/62/23/27/563622327.db2.gz MPCIIGHBJZCFTI-JXMROGBWSA-N 0 0 312.369 4.396 50 0 DIAARN COc1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000000468998 563622975 /nfs/dbraw/zinc/62/29/75/563622975.db2.gz MNLPOHULLRZGRC-NTEUORMPSA-N 0 0 323.436 4.322 50 0 DIAARN Cc1ccc(CSc2nc3c(c(N(C)C)n2)CCCC3)cc1 ZINC000005541229 563623555 /nfs/dbraw/zinc/62/35/55/563623555.db2.gz KDHWKKKCTGJCJO-UHFFFAOYSA-N 0 0 313.470 4.022 50 0 DIAARN COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000005539011 563623574 /nfs/dbraw/zinc/62/35/74/563623574.db2.gz KKKVHJDDOSMROB-LBPRGKRZSA-N 0 0 319.788 4.063 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)c(C)c1 ZINC000005538812 563623591 /nfs/dbraw/zinc/62/35/91/563623591.db2.gz JRZPGEXPYWKUAD-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN CC(C)(c1cc(-c2sc(N)nc2Cl)ccn1)C(F)(F)F ZINC000095629733 563623693 /nfs/dbraw/zinc/62/36/93/563623693.db2.gz YKAPAAHXNDWHHM-UHFFFAOYSA-N 0 0 321.755 4.281 50 0 DIAARN C[C@H]1CCN(C(=O)c2cccc(F)c2)c2ccccc2S1 ZINC000014700625 563624328 /nfs/dbraw/zinc/62/43/28/563624328.db2.gz UUPIFJTWUSINSQ-LBPRGKRZSA-N 0 0 301.386 4.357 50 0 DIAARN O=C(Nc1ccccc1F)Nc1ccc(Cl)nc1Cl ZINC000006222445 563624840 /nfs/dbraw/zinc/62/48/40/563624840.db2.gz MYGMJZOJSKCGBM-UHFFFAOYSA-N 0 0 300.120 4.172 50 0 DIAARN COCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000008728899 563625412 /nfs/dbraw/zinc/62/54/12/563625412.db2.gz LPFIXHIFXVESJU-UHFFFAOYSA-N 0 0 324.424 4.076 50 0 DIAARN COc1ccc([C@@H](C)NCc2cc(-c3ccccc3)on2)cc1 ZINC000154838973 563626279 /nfs/dbraw/zinc/62/62/79/563626279.db2.gz COQKWXZJJDTJOA-CQSZACIVSA-N 0 0 308.381 4.201 50 0 DIAARN COc1ccc([C@H](C)NCc2cc(-c3ccccc3)on2)cc1 ZINC000154838870 563626312 /nfs/dbraw/zinc/62/63/12/563626312.db2.gz COQKWXZJJDTJOA-AWEZNQCLSA-N 0 0 308.381 4.201 50 0 DIAARN Cc1cc(C)nc(SCC(=O)c2ccc(C(C)C)cc2)n1 ZINC000000111930 563627701 /nfs/dbraw/zinc/62/77/01/563627701.db2.gz JDFSFHYHDZPICH-UHFFFAOYSA-N 0 0 300.427 4.192 50 0 DIAARN COC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000127361 563627713 /nfs/dbraw/zinc/62/77/13/563627713.db2.gz WLKYBLWTJLCBPU-UHFFFAOYSA-N 0 0 311.381 4.023 50 0 DIAARN COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000041706 563628081 /nfs/dbraw/zinc/62/80/81/563628081.db2.gz UUUZQTCLEFHCGW-UHFFFAOYSA-N 0 0 324.163 4.032 50 0 DIAARN COc1cc(Br)c(CNc2ccccc2)cc1OC ZINC000000173947 563628474 /nfs/dbraw/zinc/62/84/74/563628474.db2.gz FBBNDRPFZQXFPE-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCCCC1 ZINC000000270094 563629275 /nfs/dbraw/zinc/62/92/75/563629275.db2.gz GYSQNQPBVKKPDT-UHFFFAOYSA-N 0 0 321.486 4.299 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000000505744 563629844 /nfs/dbraw/zinc/62/98/44/563629844.db2.gz ORUSXXDVPDOHAR-CYBMUJFWSA-N 0 0 301.361 4.357 50 0 DIAARN CCCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1OC ZINC000000513730 563630250 /nfs/dbraw/zinc/63/02/50/563630250.db2.gz OJBCVJGSMTXYJP-UHFFFAOYSA-N 0 0 310.353 4.242 50 0 DIAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 ZINC000000558369 563630867 /nfs/dbraw/zinc/63/08/67/563630867.db2.gz UEZBMXHIUPEBTJ-UHFFFAOYSA-N 0 0 306.749 4.341 50 0 DIAARN CC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000000609468 563631872 /nfs/dbraw/zinc/63/18/72/563631872.db2.gz IBEOJERZIUVMDN-GOSISDBHSA-N 0 0 308.381 4.088 50 0 DIAARN COc1ccccc1NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000017744874 563632154 /nfs/dbraw/zinc/63/21/54/563632154.db2.gz PMAJLXJMXTXFKQ-UHFFFAOYSA-N 0 0 324.302 4.036 50 0 DIAARN Cc1c(Cl)cccc1N1C(=S)N=NC1c1ccccc1 ZINC000001256371 563633546 /nfs/dbraw/zinc/63/35/46/563633546.db2.gz VGIJZIUHJUITMT-UHFFFAOYSA-N 0 0 301.802 4.185 50 0 DIAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000000483182 563645471 /nfs/dbraw/zinc/64/54/71/563645471.db2.gz JMCDFPHJKJDGRR-JLHYYAGUSA-N 0 0 323.392 4.249 50 0 DIAARN CCOC(=O)c1cc(C)n(CCc2c[nH]c3ccccc23)c1C ZINC000000485708 563645792 /nfs/dbraw/zinc/64/57/92/563645792.db2.gz MTMGGVXWYJJDRN-UHFFFAOYSA-N 0 0 310.397 4.006 50 0 biogenic DIAARN Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)C(C)C)cc1C ZINC000000497478 563650835 /nfs/dbraw/zinc/65/08/35/563650835.db2.gz DCSGVXLLTHTTJT-CYBMUJFWSA-N 0 0 305.447 4.037 50 0 DIAARN CCOc1nc(C)ccc1-c1noc(-c2ccccc2Cl)n1 ZINC000000498718 563651444 /nfs/dbraw/zinc/65/14/44/563651444.db2.gz DLXALVRVZFBASU-UHFFFAOYSA-N 0 0 315.760 4.159 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CN1CCCc2ccccc21 ZINC000005688566 563653106 /nfs/dbraw/zinc/65/31/06/563653106.db2.gz YDVHLYKRLFNKIR-UHFFFAOYSA-N 0 0 314.816 4.040 50 0 DIAARN CC[C@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C ZINC000000501213 563653426 /nfs/dbraw/zinc/65/34/26/563653426.db2.gz MUVVNQHRUQTFFH-SJCJKPOMSA-N 0 0 324.852 4.258 50 0 DIAARN Cc1ccccc1-n1nc(-c2ccccc2)c2ccccc2c1=O ZINC000000501440 563653731 /nfs/dbraw/zinc/65/37/31/563653731.db2.gz SDWODWCVCKSBNU-UHFFFAOYSA-N 0 0 312.372 4.361 50 0 DIAARN O=c1nc(-c2c[nH]c3ccccc32)[nH]c2sc3c(c21)CCCC3 ZINC000101349427 563655383 /nfs/dbraw/zinc/65/53/83/563655383.db2.gz PPZAAXZMKDCSAA-UHFFFAOYSA-N 0 0 321.405 4.012 50 0 DIAARN Nc1oc(=O)c2ccccc2c1Nc1ccc2ccccc2c1 ZINC000101425855 563655785 /nfs/dbraw/zinc/65/57/85/563655785.db2.gz NLYXQVROFBYOKI-UHFFFAOYSA-N 0 0 302.333 4.272 50 0 DIAARN CC(=O)Nc1cccc(C(=O)OCc2cccc3ccccc32)c1 ZINC000000515428 563661095 /nfs/dbraw/zinc/66/10/95/563661095.db2.gz ZCCQOEQIOZFLBD-UHFFFAOYSA-N 0 0 319.360 4.155 50 0 DIAARN COc1ccc(O[C@H](C)c2nc(-c3cccc(C)c3)no2)cc1 ZINC000000514489 563661101 /nfs/dbraw/zinc/66/11/01/563661101.db2.gz GQPXCRKNUMVBCR-CYBMUJFWSA-N 0 0 310.353 4.194 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(Br)c1 ZINC000000514181 563661209 /nfs/dbraw/zinc/66/12/09/563661209.db2.gz PQMOPRAHQIOZNP-UHFFFAOYSA-N 0 0 324.605 4.284 50 0 DIAARN CSc1ncccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000515953 563661229 /nfs/dbraw/zinc/66/12/29/563661229.db2.gz TWWXTCDMHUURLT-UHFFFAOYSA-N 0 0 313.209 4.363 50 0 DIAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000102656388 563661242 /nfs/dbraw/zinc/66/12/42/563661242.db2.gz IRJFIUIVAQAZDJ-SFHVURJKSA-N 0 0 316.364 4.103 50 0 DIAARN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000000516102 563661513 /nfs/dbraw/zinc/66/15/13/563661513.db2.gz VAIWAVWHUPNMKM-UHFFFAOYSA-N 0 0 323.783 4.358 50 0 DIAARN CNC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000102685216 563661628 /nfs/dbraw/zinc/66/16/28/563661628.db2.gz RXQBPDAVPMMEHG-SEYXRHQNSA-N 0 0 318.376 4.064 50 0 DIAARN O=C(/C=C\c1ccc(F)cc1)NCC1(c2ccccc2)CCCC1 ZINC000102978596 563664079 /nfs/dbraw/zinc/66/40/79/563664079.db2.gz MIQSLJUSHWNWPR-RAXLEYEMSA-N 0 0 323.411 4.467 50 0 DIAARN CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21 ZINC000000523815 563664641 /nfs/dbraw/zinc/66/46/41/563664641.db2.gz QTJZZHZQGSSOKC-UHFFFAOYSA-N 0 0 324.428 4.225 50 0 DIAARN CCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000000534244 563666709 /nfs/dbraw/zinc/66/67/09/563666709.db2.gz YLDWZWYXAACYAU-UHFFFAOYSA-N 0 0 306.344 4.196 50 0 DIAARN CCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000000535324 563667431 /nfs/dbraw/zinc/66/74/31/563667431.db2.gz WEMOBKWXWYYAEQ-UHFFFAOYSA-N 0 0 322.408 4.018 50 0 DIAARN O=C(Nc1ncnc2sc3c(c21)CCCCC3)c1ccccc1 ZINC000000538659 563667638 /nfs/dbraw/zinc/66/76/38/563667638.db2.gz BKCLCCAXJXPQSI-UHFFFAOYSA-N 0 0 323.421 4.213 50 0 DIAARN COc1ccccc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000000539278 563667682 /nfs/dbraw/zinc/66/76/82/563667682.db2.gz QYNZXQXMPQZCLK-NSHDSACASA-N 0 0 301.411 4.134 50 0 DIAARN O=C(CC[C@@H]1CCCCC1=O)c1ccc(Br)cc1 ZINC000000538413 563667770 /nfs/dbraw/zinc/66/77/70/563667770.db2.gz IEEQNZBQNPIJCS-NSHDSACASA-N 0 0 309.203 4.171 50 0 DIAARN CCOc1ccc2[nH]c3c(ncnc3N3CCCC(C)(C)C3)c2c1 ZINC000000541836 563668426 /nfs/dbraw/zinc/66/84/26/563668426.db2.gz GJKJNSCYGLRBRZ-UHFFFAOYSA-N 0 0 324.428 4.136 50 0 DIAARN Clc1ccc2[nH]c3c(ncnc3NCCc3ccccc3)c2c1 ZINC000000546079 563669481 /nfs/dbraw/zinc/66/94/81/563669481.db2.gz SRFIDZHPVYKPSF-UHFFFAOYSA-N 0 0 322.799 4.419 50 0 DIAARN CCC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 ZINC000000560814 563670943 /nfs/dbraw/zinc/67/09/43/563670943.db2.gz PVXXUIJZEYOKBR-UHFFFAOYSA-N 0 0 320.392 4.181 50 0 DIAARN O=C(c1cn(CCOc2ccccc2F)c2ccccc12)C1CC1 ZINC000000578886 563675151 /nfs/dbraw/zinc/67/51/51/563675151.db2.gz WUQRZCWAZYXFAI-UHFFFAOYSA-N 0 0 323.367 4.452 50 0 DIAARN O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CCCCCC1 ZINC000044838732 563685092 /nfs/dbraw/zinc/68/50/92/563685092.db2.gz XPCRRZSYRUFECC-UHFFFAOYSA-N 0 0 319.408 4.246 50 0 DIAARN CCCOc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000044845704 563685511 /nfs/dbraw/zinc/68/55/11/563685511.db2.gz BXQZBTGDXXKLDL-UHFFFAOYSA-N 0 0 318.804 4.451 50 0 DIAARN CCOc1ccccc1CNC(=O)Nc1ccccc1Cl ZINC000044845499 563685540 /nfs/dbraw/zinc/68/55/40/563685540.db2.gz DILNMBXEMKYEKW-UHFFFAOYSA-N 0 0 304.777 4.060 50 0 DIAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(CC)cc2)cc1 ZINC000044844799 563685563 /nfs/dbraw/zinc/68/55/63/563685563.db2.gz HFJPCUBVYFZQAH-UHFFFAOYSA-N 0 0 312.369 4.070 50 0 DIAARN CCc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000044845447 563685688 /nfs/dbraw/zinc/68/56/88/563685688.db2.gz YIUCEJKBQDSREQ-UHFFFAOYSA-N 0 0 302.805 4.267 50 0 DIAARN Cc1cccc2c1ccn2CCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000044919133 563687011 /nfs/dbraw/zinc/68/70/11/563687011.db2.gz KPMYKPSJQMWIEX-UHFFFAOYSA-N 0 0 317.392 4.460 50 0 DIAARN COc1ccc(C)cc1[C@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 ZINC000045120408 563688284 /nfs/dbraw/zinc/68/82/84/563688284.db2.gz JIRGTWLKTWNDAO-MAUKXSAKSA-N 0 0 324.424 4.221 50 0 DIAARN Cc1ccc(CN(Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000045783731 563690225 /nfs/dbraw/zinc/69/02/25/563690225.db2.gz UYZCLKIGVIPUIY-UHFFFAOYSA-N 0 0 319.408 4.210 50 0 DIAARN Cc1cccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)c1 ZINC000045901438 563690574 /nfs/dbraw/zinc/69/05/74/563690574.db2.gz MWVDBESJTPRLKV-UHFFFAOYSA-N 0 0 321.380 4.247 50 0 DIAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046018093 563691699 /nfs/dbraw/zinc/69/16/99/563691699.db2.gz YDBVFLSIZXUGBZ-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018065 563691724 /nfs/dbraw/zinc/69/17/24/563691724.db2.gz DVLVDVXYOLPIDI-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN Clc1ccc(OCCSc2nncs2)c(Cl)c1 ZINC000047822849 563692750 /nfs/dbraw/zinc/69/27/50/563692750.db2.gz WJWMWAIASOKVHW-UHFFFAOYSA-N 0 0 307.227 4.016 50 0 DIAARN CC(C)Oc1ccccc1NC(=O)N1CCc2ccccc2C1 ZINC000048193620 563693368 /nfs/dbraw/zinc/69/33/68/563693368.db2.gz JKPDDNVMWGLOCL-UHFFFAOYSA-N 0 0 310.397 4.064 50 0 DIAARN C[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccccc1 ZINC000048167605 563693589 /nfs/dbraw/zinc/69/35/89/563693589.db2.gz MVKJMHMBBCPJNJ-MRXNPFEDSA-N 0 0 309.409 4.307 50 0 DIAARN CC[C@H](NC(=O)CCCc1nc2ccccc2s1)C(C)C ZINC000048264923 563694019 /nfs/dbraw/zinc/69/40/19/563694019.db2.gz AHZGGIQEMOJXTH-ZDUSSCGKSA-N 0 0 304.459 4.170 50 0 DIAARN CC[C@@H](NC(=O)CCCc1nc2ccccc2s1)C(C)C ZINC000048264925 563694300 /nfs/dbraw/zinc/69/43/00/563694300.db2.gz AHZGGIQEMOJXTH-CYBMUJFWSA-N 0 0 304.459 4.170 50 0 DIAARN Cc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccccc3)cc2c1 ZINC000048314179 563696451 /nfs/dbraw/zinc/69/64/51/563696451.db2.gz CNQKUNOUYUAROO-CQSZACIVSA-N 0 0 304.393 4.343 50 0 DIAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)Nc1ccccc1F ZINC000048341560 563697121 /nfs/dbraw/zinc/69/71/21/563697121.db2.gz AYRAZURRBPORLC-LLVKDONJSA-N 0 0 306.768 4.232 50 0 DIAARN CC(C)(C)c1nnc(COc2c(Cl)cccc2Cl)o1 ZINC000048375206 563698175 /nfs/dbraw/zinc/69/81/75/563698175.db2.gz YBONHQXFJPFYKS-UHFFFAOYSA-N 0 0 301.173 4.253 50 0 DIAARN CCCCO[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000048373938 563697856 /nfs/dbraw/zinc/69/78/56/563697856.db2.gz UQKOTWVFLNVMAO-CQSZACIVSA-N 0 0 305.418 4.152 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000039580752 563698180 /nfs/dbraw/zinc/69/81/80/563698180.db2.gz QGKQXZFZOIQFBI-WSIJOFGPSA-N 0 0 306.490 4.141 50 0 biogenic DIAARN Cn1ncc2c1NC(=O)C[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000049549249 563701655 /nfs/dbraw/zinc/70/16/55/563701655.db2.gz QUGFGIACMUJPKU-MRXNPFEDSA-N 0 0 319.364 4.336 50 0 DIAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1 ZINC000049547150 563701775 /nfs/dbraw/zinc/70/17/75/563701775.db2.gz WTKZCBGJUQVRCH-CYBMUJFWSA-N 0 0 315.442 4.484 50 0 DIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2C1=Cc2ccccc2OC1 ZINC000049546255 563701949 /nfs/dbraw/zinc/70/19/49/563701949.db2.gz QXRBAAQHGGPWMZ-CQSZACIVSA-N 0 0 323.396 4.189 50 0 DIAARN CCOc1ccc2c(cc(C(=O)Nc3ccc(C)cc3)n2C)c1 ZINC000049728941 563702508 /nfs/dbraw/zinc/70/25/08/563702508.db2.gz IGYAZSUHHINVHO-UHFFFAOYSA-N 0 0 308.381 4.138 50 0 DIAARN O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1C=C2C=CCC[C@H]2CC1 ZINC000005769759 563703223 /nfs/dbraw/zinc/70/32/23/563703223.db2.gz RNJCOMWAWPUVHE-BLLLJJGKSA-N 0 0 314.341 4.198 50 0 DIAARN COc1ccccc1[C@H]1CCCN1Cc1csc(C(C)=O)c1 ZINC000216002511 563707637 /nfs/dbraw/zinc/70/76/37/563707637.db2.gz WHVACOVNKWXKQP-MRXNPFEDSA-N 0 0 315.438 4.296 50 0 DIAARN Cc1cc(-c2ccc(CN3CCOCC3)cn2)cc(C(C)(C)C)c1 ZINC000216326073 563709272 /nfs/dbraw/zinc/70/92/72/563709272.db2.gz FJAQWXDSVLHSGA-UHFFFAOYSA-N 0 0 324.468 4.187 50 0 DIAARN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(C)cc1 ZINC000006938798 563709289 /nfs/dbraw/zinc/70/92/89/563709289.db2.gz CAVKWYLOZPQZLC-UHFFFAOYSA-N 0 0 318.760 4.079 50 0 DIAARN O=C(c1ccccc1-c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000219096891 563717660 /nfs/dbraw/zinc/71/76/60/563717660.db2.gz UIAPZUPWRRPVMP-WOJBJXKFSA-N 0 0 321.420 4.137 50 0 DIAARN O=C(NCCCc1cc2ccccc2o1)c1c(F)cccc1F ZINC000390831825 563720539 /nfs/dbraw/zinc/72/05/39/563720539.db2.gz VGNFHJZTKGLOHY-UHFFFAOYSA-N 0 0 315.319 4.074 50 0 DIAARN Cc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000032581162 563723219 /nfs/dbraw/zinc/72/32/19/563723219.db2.gz PCPDEOZKRIYHGQ-HLLBOEOZSA-N 0 0 317.429 4.082 50 0 DIAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000025248026 563725887 /nfs/dbraw/zinc/72/58/87/563725887.db2.gz UXZAFDOLHQOKQD-GWCFXTLKSA-N 0 0 313.228 4.183 50 0 DIAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc(C2CC2)cs1 ZINC000025559867 563729132 /nfs/dbraw/zinc/72/91/32/563729132.db2.gz QFEGLIISUWIQPZ-UHFFFAOYSA-N 0 0 311.410 4.073 50 0 DIAARN CC(C)c1ncc(CN(C)Cc2cnc(C(C)C)s2)s1 ZINC000601014336 563742675 /nfs/dbraw/zinc/74/26/75/563742675.db2.gz DTNDFPHBVGXHHS-UHFFFAOYSA-N 0 0 309.504 4.478 50 0 DIAARN Cc1cc(NC2CCSCC2)cc(C)c1Br ZINC000225421403 563754457 /nfs/dbraw/zinc/75/44/57/563754457.db2.gz OENYKYNQSWSCAK-UHFFFAOYSA-N 0 0 300.265 4.373 50 0 DIAARN COCCN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C ZINC000225437881 563755264 /nfs/dbraw/zinc/75/52/64/563755264.db2.gz HXADEOUVCSFKGW-SWLSCSKDSA-N 0 0 310.825 4.009 50 0 DIAARN Cc1c2ccccc2oc1C(=O)Nc1cc(-c2cccnc2)on1 ZINC000225467676 563756005 /nfs/dbraw/zinc/75/60/05/563756005.db2.gz KHWHUBTUIXSXRQ-UHFFFAOYSA-N 0 0 319.320 4.044 50 0 DIAARN COc1cccc(F)c1-c1nc(-c2ccc(F)cc2Cl)no1 ZINC000225479450 563756743 /nfs/dbraw/zinc/75/67/43/563756743.db2.gz WAYLPVLVPKNWPB-UHFFFAOYSA-N 0 0 322.698 4.344 50 0 DIAARN CCC(C)(C)C1CCC(NC(=O)CCc2nc(C)cs2)CC1 ZINC000225506050 563757361 /nfs/dbraw/zinc/75/73/61/563757361.db2.gz KIPLMSGHSGYHCA-UHFFFAOYSA-N 0 0 322.518 4.495 50 0 DIAARN C[C@@H](C(=O)Nc1cccc2cnccc21)c1c(F)cccc1F ZINC000225526827 563757871 /nfs/dbraw/zinc/75/78/71/563757871.db2.gz ZXUZRLOCOIQALG-LLVKDONJSA-N 0 0 312.319 4.255 50 0 DIAARN COc1cccc2cc([C@H](C)NCc3csc(C)n3)oc21 ZINC000028926039 563758051 /nfs/dbraw/zinc/75/80/51/563758051.db2.gz YTKNNPCLFFVKGF-JTQLQIEISA-N 0 0 302.399 4.057 50 0 DIAARN CSc1ccc(CNc2cccc(-c3n[nH]c(C)n3)c2)s1 ZINC000225552025 563758527 /nfs/dbraw/zinc/75/85/27/563758527.db2.gz WRIYSVNFDDGVSA-UHFFFAOYSA-N 0 0 316.455 4.176 50 0 DIAARN CCOc1ccc(N(CC)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000225837506 563764690 /nfs/dbraw/zinc/76/46/90/563764690.db2.gz ZVBLLLPTQKVWDA-UHFFFAOYSA-N 0 0 314.385 4.152 50 0 DIAARN CC(C)c1ccc2nc([C@H]3CCCC(F)(F)C3)[nH]c(=O)c2c1 ZINC000225840149 563764852 /nfs/dbraw/zinc/76/48/52/563764852.db2.gz ZMDLIAIWZGAKHM-LBPRGKRZSA-N 0 0 306.356 4.339 50 0 DIAARN O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccccc1F ZINC000032097187 563769003 /nfs/dbraw/zinc/76/90/03/563769003.db2.gz DPFNLDUJRMYZCL-UHFFFAOYSA-N 0 0 302.736 4.073 50 0 DIAARN COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OC(C)C ZINC000012401631 563770856 /nfs/dbraw/zinc/77/08/56/563770856.db2.gz VPQQUCWVYCDMOV-LBPRGKRZSA-N 0 0 317.410 4.018 50 0 DIAARN O=C(c1ccc2ccccc2c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000012441538 563774969 /nfs/dbraw/zinc/77/49/69/563774969.db2.gz WANAWIBXWDPYRH-HXUWFJFHSA-N 0 0 317.388 4.054 50 0 DIAARN Cc1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1 ZINC000239309185 563775865 /nfs/dbraw/zinc/77/58/65/563775865.db2.gz HGMFBLPKHROMTQ-QXAKKESOSA-N 0 0 319.404 4.068 50 0 DIAARN CCC[C@@](C)(CC)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000241693848 563778215 /nfs/dbraw/zinc/77/82/15/563778215.db2.gz QIFZLKDRBGMGOU-CRAIPNDOSA-N 0 0 307.409 4.372 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nc3ccccc3s2)C1(C)C ZINC000025155204 563784114 /nfs/dbraw/zinc/78/41/14/563784114.db2.gz NCZIUHKCUFIPEF-WBMJQRKESA-N 0 0 314.454 4.151 50 0 DIAARN C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253611306 563785326 /nfs/dbraw/zinc/78/53/26/563785326.db2.gz YWYQTGBBEZQBGO-YMHVUMINSA-N 0 0 320.517 4.387 50 0 DIAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253611261 563785332 /nfs/dbraw/zinc/78/53/32/563785332.db2.gz IBMZAHKIAAJREF-UWRZLRHJSA-N 0 0 318.501 4.307 50 0 DIAARN Cc1cccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)c1C ZINC000025297353 563787353 /nfs/dbraw/zinc/78/73/53/563787353.db2.gz PCEXQCLSWQDBSZ-CYBMUJFWSA-N 0 0 319.351 4.396 50 0 DIAARN O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl ZINC000001056089 563787503 /nfs/dbraw/zinc/78/75/03/563787503.db2.gz VRTDEXKIRBVQDA-UHFFFAOYSA-N 0 0 309.749 4.217 50 0 aggregator DIAARN Cc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)c(C)c1 ZINC000025365178 563787993 /nfs/dbraw/zinc/78/79/93/563787993.db2.gz MYPTULNPCWWBGT-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN Clc1ccc([C@H]2CN(c3nc4ccccc4o3)CCO2)cc1 ZINC000052489746 563788136 /nfs/dbraw/zinc/78/81/36/563788136.db2.gz CKLIZSMUHPPSIZ-MRXNPFEDSA-N 0 0 314.772 4.059 50 0 DIAARN Cc1noc([C@H](C)N2CCC(c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000052464955 563788192 /nfs/dbraw/zinc/78/81/92/563788192.db2.gz WEYZOMRZFXCACO-ZDUSSCGKSA-N 0 0 324.428 4.108 50 0 DIAARN CCOCc1ccccc1NC(=O)N(CC)Cc1ccccc1 ZINC000052468867 563788273 /nfs/dbraw/zinc/78/82/73/563788273.db2.gz UVBPVPKBHQPEEP-UHFFFAOYSA-N 0 0 312.413 4.277 50 0 DIAARN CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCc3ccccc3C2)c1C ZINC000025408442 563788277 /nfs/dbraw/zinc/78/82/77/563788277.db2.gz TZDFISLRKAXHIP-UHFFFAOYSA-N 0 0 307.437 4.373 50 0 DIAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000001191870 563793796 /nfs/dbraw/zinc/79/37/96/563793796.db2.gz FXGMNGSIOPLTGN-IBGZPJMESA-N 0 0 307.437 4.134 50 0 DIAARN CC(=O)c1c(Cl)c(C(F)(F)F)ccc1Br ZINC000263624131 563794348 /nfs/dbraw/zinc/79/43/48/563794348.db2.gz NSHWJIFUZBZSQE-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN CCN(CC)C(=S)SCC(=O)c1c(C)[nH]c2ccccc21 ZINC000001799374 563795572 /nfs/dbraw/zinc/79/55/72/563795572.db2.gz DEKNGTYNYQKWRH-UHFFFAOYSA-N 0 0 320.483 4.019 50 0 DIAARN CC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1OC ZINC000031618112 563796248 /nfs/dbraw/zinc/79/62/48/563796248.db2.gz ZTICWNLDLVGRBJ-LLVKDONJSA-N 0 0 309.818 4.291 50 0 DIAARN CCCCc1ccc(NC(=O)C2SCSCS2)cc1 ZINC000001810527 563796290 /nfs/dbraw/zinc/79/62/90/563796290.db2.gz LZTFYPPIKLLIHD-UHFFFAOYSA-N 0 0 313.513 4.422 50 0 DIAARN CCCCc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)cc1 ZINC000002024646 563797299 /nfs/dbraw/zinc/79/72/99/563797299.db2.gz ZFSZZLSJKWQRBY-UHFFFAOYSA-N 0 0 312.365 4.035 50 0 biogenic DIAARN CCOc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(C)c2c1 ZINC000012521749 563797421 /nfs/dbraw/zinc/79/74/21/563797421.db2.gz VOYLYDBXCUFRHI-UHFFFAOYSA-N 0 0 310.353 4.096 50 0 DIAARN COc1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1OC ZINC000001961546 563797664 /nfs/dbraw/zinc/79/76/64/563797664.db2.gz DMFJUBQCIPXKNQ-UHFFFAOYSA-N 0 0 310.349 4.094 50 0 biogenic,in-vitro DIAARN C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1 ZINC000012533150 563798343 /nfs/dbraw/zinc/79/83/43/563798343.db2.gz VOUHJBFOVGEMJR-HNNXBMFYSA-N 0 0 318.376 4.365 50 0 DIAARN C[C@H](c1cccc(Br)c1)N(C)C(=O)OC(C)(C)C ZINC000230540809 563798855 /nfs/dbraw/zinc/79/88/55/563798855.db2.gz RADPPCMHQBLTRG-SNVBAGLBSA-N 0 0 314.223 4.377 50 0 DIAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 ZINC000012537110 563798906 /nfs/dbraw/zinc/79/89/06/563798906.db2.gz WEWYVTZGKTUSAL-IBGZPJMESA-N 0 0 324.424 4.083 50 0 DIAARN COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(C)cc1C ZINC000012534804 563799299 /nfs/dbraw/zinc/79/92/99/563799299.db2.gz MGCWBZWMBNVVFR-HNNXBMFYSA-N 0 0 312.413 4.060 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)n1 ZINC000003236196 563799716 /nfs/dbraw/zinc/79/97/16/563799716.db2.gz CHQXXSYZOQFQKO-UHFFFAOYSA-N 0 0 323.371 4.189 50 0 DIAARN CC(C)c1cc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)no1 ZINC000184028785 563799726 /nfs/dbraw/zinc/79/97/26/563799726.db2.gz YMZYVPOUIURERI-LJQANCHMSA-N 0 0 312.413 4.035 50 0 DIAARN Cc1cccnc1NC(=O)c1ccccc1Cc1ccccc1 ZINC000012543580 563799966 /nfs/dbraw/zinc/79/99/66/563799966.db2.gz CFXWNTHSWPCIKI-UHFFFAOYSA-N 0 0 302.377 4.233 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000003279366 563800337 /nfs/dbraw/zinc/80/03/37/563800337.db2.gz OMBIEDXDDUIFSB-UHFFFAOYSA-N 0 0 310.683 4.040 50 0 DIAARN Cc1cccc(Nc2ccccc2C(=O)Nc2ccn(C)n2)c1C ZINC000012545220 563800412 /nfs/dbraw/zinc/80/04/12/563800412.db2.gz IXVIPWNYLACBIZ-UHFFFAOYSA-N 0 0 320.396 4.033 50 0 DIAARN O=C(CSc1ncc2ccccn21)c1ccc(Cl)s1 ZINC000012556797 563800909 /nfs/dbraw/zinc/80/09/09/563800909.db2.gz IQWLONOPQLRGPP-UHFFFAOYSA-N 0 0 308.815 4.024 50 0 DIAARN Cc1ccc(C(=O)NCCCn2ccc3ccccc32)c(C)c1 ZINC000012554058 563801135 /nfs/dbraw/zinc/80/11/35/563801135.db2.gz OLVBELVDHBIEHU-UHFFFAOYSA-N 0 0 306.409 4.078 50 0 DIAARN O=C(NCCCn1ccc2ccccc21)c1ccccc1Cl ZINC000012562697 563801515 /nfs/dbraw/zinc/80/15/15/563801515.db2.gz PVIFWPSAISCPHP-UHFFFAOYSA-N 0 0 312.800 4.115 50 0 DIAARN COc1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000003524919 563802207 /nfs/dbraw/zinc/80/22/07/563802207.db2.gz LQIQXYPHGPLLSE-UHFFFAOYSA-N 0 0 321.376 4.111 50 0 DIAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000012577602 563802286 /nfs/dbraw/zinc/80/22/86/563802286.db2.gz BSFGFFVQDYPSNE-GOSISDBHSA-N 0 0 319.408 4.157 50 0 DIAARN Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(C)c(C)c1 ZINC000012601646 563802947 /nfs/dbraw/zinc/80/29/47/563802947.db2.gz KIZYYBKKLRMZKW-HNNXBMFYSA-N 0 0 302.443 4.326 50 0 DIAARN CCCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)nc1C ZINC000299755237 563804286 /nfs/dbraw/zinc/80/42/86/563804286.db2.gz BXKBBWNUGOXVDA-UHFFFAOYSA-N 0 0 321.808 4.471 50 0 DIAARN CCOc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 ZINC000012619244 563804359 /nfs/dbraw/zinc/80/43/59/563804359.db2.gz XYBDTJSEBSGMJR-KRWDZBQOSA-N 0 0 313.422 4.049 50 0 DIAARN COc1cccc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000012618477 563804512 /nfs/dbraw/zinc/80/45/12/563804512.db2.gz FHARKJFQKPLXIJ-UHFFFAOYSA-N 0 0 323.348 4.120 50 0 DIAARN COc1ccc(NC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(F)c1 ZINC000299784169 563805639 /nfs/dbraw/zinc/80/56/39/563805639.db2.gz OPNLGRNAABOTNE-KZULUSFZSA-N 0 0 320.408 4.267 50 0 DIAARN CN(C/C=C/c1ccccc1)C(=O)Nc1ccnn1C1CCCC1 ZINC000299773951 563805687 /nfs/dbraw/zinc/80/56/87/563805687.db2.gz HALRBAMDOKMFST-JXMROGBWSA-N 0 0 324.428 4.175 50 0 DIAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCCC1 ZINC000012625251 563807389 /nfs/dbraw/zinc/80/73/89/563807389.db2.gz VWOLCSMMAQWTEF-UHFFFAOYSA-N 0 0 313.372 4.424 50 0 DIAARN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1c(C)noc1C ZINC000012622565 563807438 /nfs/dbraw/zinc/80/74/38/563807438.db2.gz BKKDWJFZQRBPBK-UHFFFAOYSA-N 0 0 320.820 4.251 50 0 DIAARN Cc1nc(-c2ccc(CCNC(=O)c3ccccc3)cc2)cs1 ZINC000012620965 563807622 /nfs/dbraw/zinc/80/76/22/563807622.db2.gz QICXASGVIYXHFU-UHFFFAOYSA-N 0 0 322.433 4.091 50 0 DIAARN CCOc1ccccc1C[S@](=O)[C@H](C)c1ccc(F)cc1 ZINC000078555961 563808433 /nfs/dbraw/zinc/80/84/33/563808433.db2.gz NSBBLXIOZIRASZ-LRTDBIEQSA-N 0 0 306.402 4.234 50 0 DIAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)NC[C@@H]1CCOC1 ZINC000078394997 563808531 /nfs/dbraw/zinc/80/85/31/563808531.db2.gz XEJSWRBZZKFUSE-ZDUSSCGKSA-N 0 0 322.474 4.044 50 0 DIAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1O ZINC000012679981 563809401 /nfs/dbraw/zinc/80/94/01/563809401.db2.gz YCRKUKHNVJOXDZ-UHFFFAOYSA-N 0 0 316.407 4.138 50 0 DIAARN CCCOc1ccc(C(=O)NC2CCCCCCC2)cc1OC ZINC000012680189 563809777 /nfs/dbraw/zinc/80/97/77/563809777.db2.gz HCGZGWRLJQYRGB-UHFFFAOYSA-N 0 0 319.445 4.327 50 0 DIAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccn1 ZINC000012687404 563810047 /nfs/dbraw/zinc/81/00/47/563810047.db2.gz ZTHHEXXARPJBNI-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN c1ccc2c(c1)nc(C1CC1)nc2SCc1noc(C2CC2)n1 ZINC000052891384 563810552 /nfs/dbraw/zinc/81/05/52/563810552.db2.gz JBGBJIZBTYZYLH-UHFFFAOYSA-N 0 0 324.409 4.060 50 0 DIAARN O=C(Nc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000001326419 563811512 /nfs/dbraw/zinc/81/15/12/563811512.db2.gz RQJZDMFBGPREBP-UHFFFAOYSA-N 0 0 321.380 4.239 50 0 DIAARN Cc1cccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 ZINC000032170701 563813965 /nfs/dbraw/zinc/81/39/65/563813965.db2.gz XDGNYSVGDVPUDX-LFIBNONCSA-N 0 0 324.405 4.101 50 0 DIAARN CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1nccs1 ZINC000083869858 563814468 /nfs/dbraw/zinc/81/44/68/563814468.db2.gz AOMGBESPHNBYHF-JKSUJKDBSA-N 0 0 308.406 4.063 50 0 DIAARN CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1nccs1 ZINC000083869856 563814495 /nfs/dbraw/zinc/81/44/95/563814495.db2.gz AOMGBESPHNBYHF-CVEARBPZSA-N 0 0 308.406 4.063 50 0 DIAARN CC(C)(C)N1C(=O)CC(=O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000001387210 563815335 /nfs/dbraw/zinc/81/53/35/563815335.db2.gz XJTJCAOHEOEUQZ-ZDUSSCGKSA-N 0 0 314.212 4.025 50 0 DIAARN CC(=O)Nc1cccc(NC(=O)CCCC2CCCCC2)c1 ZINC000012734879 563815795 /nfs/dbraw/zinc/81/57/95/563815795.db2.gz IJOXRRKSNZTUSB-UHFFFAOYSA-N 0 0 302.418 4.334 50 0 DIAARN O=C(Nc1ccc(F)cc1)C(F)(F)Oc1ccc(Cl)cc1 ZINC000001393153 563817455 /nfs/dbraw/zinc/81/74/55/563817455.db2.gz PTBWBCKDTNQODR-UHFFFAOYSA-N 0 0 315.678 4.089 50 0 DIAARN O=C(Nc1cccc(Cl)c1)OCc1cnc(Cl)s1 ZINC000001392590 563817585 /nfs/dbraw/zinc/81/75/85/563817585.db2.gz WMPDDSUWBPXWDD-UHFFFAOYSA-N 0 0 303.170 4.199 50 0 DIAARN Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)cc(C)n2n1 ZINC000001398929 563818073 /nfs/dbraw/zinc/81/80/73/563818073.db2.gz AXANTWANGWJXGU-UHFFFAOYSA-N 0 0 322.437 4.482 50 0 DIAARN O=C(CSc1ccc2ccccc2n1)OCc1ccccc1 ZINC000016621989 563818552 /nfs/dbraw/zinc/81/85/52/563818552.db2.gz NLMGIOPXKOAMKW-UHFFFAOYSA-N 0 0 309.390 4.070 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)n1cc2c(n1)-c1ccccc1CC2 ZINC000001401055 563818636 /nfs/dbraw/zinc/81/86/36/563818636.db2.gz NESPFZGOQLAAAK-UHFFFAOYSA-N 0 0 323.783 4.382 50 0 DIAARN O=C(NCCc1cccs1)c1cc(F)c(Cl)cc1Cl ZINC000012739882 563818733 /nfs/dbraw/zinc/81/87/33/563818733.db2.gz NCNNRDJGNNHGGC-UHFFFAOYSA-N 0 0 318.200 4.167 50 0 DIAARN Cc1nc2nc(S[C@H]3CCCc4ccccc43)nn2c(C)c1C ZINC000084057735 563821368 /nfs/dbraw/zinc/82/13/68/563821368.db2.gz OOSOYEHXWOIZRG-INIZCTEOSA-N 0 0 324.453 4.219 50 0 DIAARN Cc1cc(C)c(C)c(OC(=O)[C@H](c2ccccc2)n2cccn2)c1 ZINC000084074975 563821724 /nfs/dbraw/zinc/82/17/24/563821724.db2.gz GPLSRVHLMKOQMJ-IBGZPJMESA-N 0 0 320.392 4.003 50 0 DIAARN C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)OC21CCCCC1 ZINC000001425297 563822791 /nfs/dbraw/zinc/82/27/91/563822791.db2.gz VIFOCXVHCLVGNY-GOSISDBHSA-N 0 0 310.397 4.094 50 0 DIAARN Fc1ccc(C2N=NC(=S)N2c2cccc(Cl)c2)cc1 ZINC000001422217 563822907 /nfs/dbraw/zinc/82/29/07/563822907.db2.gz HVSRRNOLLLMHOB-UHFFFAOYSA-N 0 0 305.765 4.016 50 0 DIAARN Cc1ccc(C)c(CSCc2nc(N)c3ccccc3n2)c1 ZINC000084142492 563823743 /nfs/dbraw/zinc/82/37/43/563823743.db2.gz FWUVYTXGZFUBOA-UHFFFAOYSA-N 0 0 309.438 4.262 50 0 DIAARN Cc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000009667351 563823888 /nfs/dbraw/zinc/82/38/88/563823888.db2.gz KIUGALMPMZUKHK-NSHDSACASA-N 0 0 310.422 4.085 50 0 DIAARN O=S(=O)(Nc1cccc(Cl)c1)C1=Cc2ccccc2CC1 ZINC000012750414 563823892 /nfs/dbraw/zinc/82/38/92/563823892.db2.gz BSWLASCIHVWYML-UHFFFAOYSA-N 0 0 319.813 4.069 50 0 DIAARN Cc1csc(SCC(=O)c2ccc(OC(F)F)cc2)n1 ZINC000084271323 563825552 /nfs/dbraw/zinc/82/55/52/563825552.db2.gz NULALSRGAYMBOY-UHFFFAOYSA-N 0 0 315.366 4.028 50 0 DIAARN Cc1nc([C@@H](C)NCc2ccc(OCC(C)C)cc2)cs1 ZINC000084272047 563825653 /nfs/dbraw/zinc/82/56/53/563825653.db2.gz LBIZULBQUVGLNG-CYBMUJFWSA-N 0 0 304.459 4.337 50 0 DIAARN Cc1cccc(-n2nc(C(C)(C)C)cc2NCc2cccnc2)c1 ZINC000084213264 563825798 /nfs/dbraw/zinc/82/57/98/563825798.db2.gz IUQYAELEFSMHCG-UHFFFAOYSA-N 0 0 320.440 4.485 50 0 DIAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000084374545 563826144 /nfs/dbraw/zinc/82/61/44/563826144.db2.gz CFJGYDBQWLLJKQ-OALUTQOASA-N 0 0 322.408 4.145 50 0 DIAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000084374544 563826209 /nfs/dbraw/zinc/82/62/09/563826209.db2.gz CFJGYDBQWLLJKQ-RBUKOAKNSA-N 0 0 322.408 4.145 50 0 DIAARN O=C(CCc1ccccc1O)Nc1ccc(-c2ccccc2)cn1 ZINC000084562658 563827342 /nfs/dbraw/zinc/82/73/42/563827342.db2.gz WCQIIIMWGBNQFT-UHFFFAOYSA-N 0 0 318.376 4.026 50 0 DIAARN CCC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000084577238 563827448 /nfs/dbraw/zinc/82/74/48/563827448.db2.gz HLFOKKMIPYUQRT-UHFFFAOYSA-N 0 0 319.792 4.396 50 0 DIAARN O=C(OC[C@H]1CCCCO1)c1cccc(Oc2ccccc2)c1 ZINC000084557039 563827527 /nfs/dbraw/zinc/82/75/27/563827527.db2.gz QIIUEYWDALQBQX-GOSISDBHSA-N 0 0 312.365 4.205 50 0 DIAARN S=C(Nc1ccccc1)N[C@H](c1ccco1)c1ccccc1 ZINC000084525055 563827691 /nfs/dbraw/zinc/82/76/91/563827691.db2.gz HQWNUCUPZZZCAM-KRWDZBQOSA-N 0 0 308.406 4.356 50 0 DIAARN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(C)C)cc1 ZINC000012773476 563828090 /nfs/dbraw/zinc/82/80/90/563828090.db2.gz XMBPJHUJKXJQHW-LJQANCHMSA-N 0 0 324.424 4.023 50 0 DIAARN O=C(CCCc1ccccn1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000084581863 563828145 /nfs/dbraw/zinc/82/81/45/563828145.db2.gz RSCQHSVQNPUVIB-HXUWFJFHSA-N 0 0 320.436 4.083 50 0 DIAARN C[C@@H](c1ccccc1F)N(C(=O)Nc1nccs1)C1CC1 ZINC000084660622 563828983 /nfs/dbraw/zinc/82/89/83/563828983.db2.gz HGNFJGMFUYBXHK-JTQLQIEISA-N 0 0 305.378 4.040 50 0 DIAARN CCc1nnc(NC(=O)c2cc3c(s2)CCCCCC3)s1 ZINC000012776968 563829712 /nfs/dbraw/zinc/82/97/12/563829712.db2.gz UYZUBJWATSKUNN-UHFFFAOYSA-N 0 0 321.471 4.073 50 0 DIAARN CCC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000084740749 563830482 /nfs/dbraw/zinc/83/04/82/563830482.db2.gz OHAUUBUSZQBRKN-ZDUSSCGKSA-N 0 0 317.458 4.181 50 0 DIAARN CCCN(C(=O)c1sccc1C)[C@@H]1CCc2ccccc2C1 ZINC000084750322 563830502 /nfs/dbraw/zinc/83/05/02/563830502.db2.gz HBYLOHLDLHCWJH-QGZVFWFLSA-N 0 0 313.466 4.466 50 0 DIAARN CCCCC(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000084742893 563830828 /nfs/dbraw/zinc/83/08/28/563830828.db2.gz ZOXDBBXNOHTLNM-UHFFFAOYSA-N 0 0 301.264 4.080 50 0 DIAARN CCOCc1ccccc1NC(=O)c1sc(C(C)C)nc1C ZINC000084802801 563831450 /nfs/dbraw/zinc/83/14/50/563831450.db2.gz GMYUZRZQBUIAJE-UHFFFAOYSA-N 0 0 318.442 4.364 50 0 DIAARN CC(=O)Nc1ccc(NCc2ncc(C(C)(C)C)o2)c(Cl)c1 ZINC000085276020 563834557 /nfs/dbraw/zinc/83/45/57/563834557.db2.gz IMKJHEJCKFZDKO-UHFFFAOYSA-N 0 0 321.808 4.196 50 0 DIAARN CCC1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000078884848 563835139 /nfs/dbraw/zinc/83/51/39/563835139.db2.gz OOWZKVOCMCLULQ-NWINJMCUSA-N 0 0 305.384 4.440 50 0 DIAARN CCC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000078884844 563835259 /nfs/dbraw/zinc/83/52/59/563835259.db2.gz OOWZKVOCMCLULQ-PQAZSJQKSA-N 0 0 305.384 4.440 50 0 DIAARN CC(C)OC(=O)c1cc(-c2cccc(O)c2)nc2ccccc21 ZINC000001459241 563836711 /nfs/dbraw/zinc/83/67/11/563836711.db2.gz UAKIYSYMHYFPCT-UHFFFAOYSA-N 0 0 307.349 4.173 50 0 DIAARN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c(C)n1C1CC1 ZINC000012814538 563836714 /nfs/dbraw/zinc/83/67/14/563836714.db2.gz MRZMEGCDPOKJRE-CVEARBPZSA-N 0 0 300.446 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DIAARN O=C(Nc1nc2c(s1)CCC2)c1cc2ccccc2s1 ZINC000012852454 563844703 /nfs/dbraw/zinc/84/47/03/563844703.db2.gz JKMZIFLIUNKSLZ-UHFFFAOYSA-N 0 0 300.408 4.099 50 0 DIAARN Cc1nc2cc(F)ccc2cc1C(=O)NCCC1=CCCCC1 ZINC000012851916 563844844 /nfs/dbraw/zinc/84/48/44/563844844.db2.gz NEGLMXXYFBGUQV-UHFFFAOYSA-N 0 0 312.388 4.303 50 0 DIAARN O=C(CCc1ccc(F)cc1)Nc1ccc(O)c2ccccc12 ZINC000012866287 563846251 /nfs/dbraw/zinc/84/62/51/563846251.db2.gz XKGDCHRCIVUQQE-UHFFFAOYSA-N 0 0 309.340 4.256 50 0 DIAARN COc1ccc2c(c1)N[C@]1(C)CCC3(SCCS3)[C@@]21C ZINC000000402400 563846805 /nfs/dbraw/zinc/84/68/05/563846805.db2.gz VXBBLKRRLJYDGU-CABCVRRESA-N 0 0 307.484 4.107 50 0 DIAARN O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000013838497 563851136 /nfs/dbraw/zinc/85/11/36/563851136.db2.gz MIWPBXQTBYPJEF-XBXARRHUSA-N 0 0 315.413 4.001 50 0 endogenous,in-man DIAARN C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1ccc(F)cc1 ZINC000012896631 563852542 /nfs/dbraw/zinc/85/25/42/563852542.db2.gz YXSJEQJWDNIOPP-GFCCVEGCSA-N 0 0 313.401 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320.392 4.152 50 0 DIAARN CC(C)(Cl)C1OC(C(C)(C)Cl)OC(C(C)(C)Cl)O1 ZINC000001594755 563868663 /nfs/dbraw/zinc/86/86/63/563868663.db2.gz JUEGKELCXWTJQB-UHFFFAOYSA-N 0 0 319.656 4.080 50 0 DIAARN Cc1nc(C(C)C)ncc1C(=O)Nc1ccccc1C(F)(F)F ZINC000075436957 563870886 /nfs/dbraw/zinc/87/08/86/563870886.db2.gz SEHGRXCNUFJVLL-UHFFFAOYSA-N 0 0 323.318 4.180 50 0 DIAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C)cc1 ZINC000035536600 563872123 /nfs/dbraw/zinc/87/21/23/563872123.db2.gz CEKZYAVZLWFVHP-UHFFFAOYSA-N 0 0 310.328 4.350 50 0 DIAARN O=C(CSc1nnc(C2CCCC2)[nH]1)c1ccc(Cl)cc1 ZINC000012980444 563872672 /nfs/dbraw/zinc/87/26/72/563872672.db2.gz DFISLMYKDBKELJ-UHFFFAOYSA-N 0 0 321.833 4.091 50 0 DIAARN Cc1cc(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)c(C)s1 ZINC000006401575 563872719 /nfs/dbraw/zinc/87/27/19/563872719.db2.gz ONHNYJHANJKQGS-ZDUSSCGKSA-N 0 0 315.438 4.205 50 0 DIAARN Cc1cc(C(=O)CCC(=O)N[C@H](C)c2ccccc2)c(C)s1 ZINC000006401580 563872799 /nfs/dbraw/zinc/87/27/99/563872799.db2.gz ONHNYJHANJKQGS-CYBMUJFWSA-N 0 0 315.438 4.205 50 0 DIAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000012986036 563873604 /nfs/dbraw/zinc/87/36/04/563873604.db2.gz ORXULYAEQIHWEK-UHFFFAOYSA-N 0 0 321.336 4.176 50 0 DIAARN Cc1cccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000013004535 563875066 /nfs/dbraw/zinc/87/50/66/563875066.db2.gz SWLGUYIFIVUMBJ-HNNXBMFYSA-N 0 0 316.401 4.493 50 0 DIAARN CCCCN(C)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000013003974 563875086 /nfs/dbraw/zinc/87/50/86/563875086.db2.gz ULMWNWIFWRZGSK-UHFFFAOYSA-N 0 0 323.396 4.004 50 0 DIAARN C[C@H](NC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000013004123 563875124 /nfs/dbraw/zinc/87/51/24/563875124.db2.gz YYGWRRVEBRALCZ-VIFPVBQESA-N 0 0 313.184 4.147 50 0 DIAARN Cc1ccc2nc(NC(=O)CCC(=O)c3ccccc3)sc2c1 ZINC000013011690 563876049 /nfs/dbraw/zinc/87/60/49/563876049.db2.gz PXRVTCKBVZUTLD-UHFFFAOYSA-N 0 0 324.405 4.206 50 0 DIAARN CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000013012533 563876161 /nfs/dbraw/zinc/87/61/61/563876161.db2.gz RZFZFKKMLOQBBX-UHFFFAOYSA-N 0 0 324.355 4.288 50 0 DIAARN Cc1ccc(C)c(CSCCC(=O)NC2CCCCC2)c1 ZINC000013021305 563876698 /nfs/dbraw/zinc/87/66/98/563876698.db2.gz FGPMFCRXOCSNSN-UHFFFAOYSA-N 0 0 305.487 4.376 50 0 DIAARN Cc1ccccc1CNC(=O)c1ccc(-c2ccsc2)nc1 ZINC000075501964 563877147 /nfs/dbraw/zinc/87/71/47/563877147.db2.gz SGTYJUWNZIAKAV-UHFFFAOYSA-N 0 0 308.406 4.049 50 0 DIAARN O=C(/C=C\c1ccccc1)Nc1ccccc1Br ZINC000033295851 563878047 /nfs/dbraw/zinc/87/80/47/563878047.db2.gz FZGNQEIHILPJBW-KHPPLWFESA-N 0 0 302.171 4.101 50 0 DIAARN CC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@H]2[C@H]1c1ccco1 ZINC000239165129 563879452 /nfs/dbraw/zinc/87/94/52/563879452.db2.gz NMSSETOEIBVUBW-AFAVFJNCSA-N 0 0 317.772 4.118 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)o1 ZINC000239296973 563879675 /nfs/dbraw/zinc/87/96/75/563879675.db2.gz DNWMJKYEUTYVBM-VZSAFFHGSA-N 0 0 308.381 4.132 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1C ZINC000241923284 563880950 /nfs/dbraw/zinc/88/09/50/563880950.db2.gz UERKSSQVRWAKMP-LNLFQRSKSA-N 0 0 308.425 4.099 50 0 DIAARN CC(=O)N1CN(C2CCCCC2)Cc2c3c(sc21)CCCC3 ZINC000054072953 563882698 /nfs/dbraw/zinc/88/26/98/563882698.db2.gz SGGCISWSSYFWNQ-UHFFFAOYSA-N 0 0 318.486 4.086 50 0 DIAARN O=Cc1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2 ZINC000025692635 563883792 /nfs/dbraw/zinc/88/37/92/563883792.db2.gz KSGHZBIXFLLYND-UHFFFAOYSA-N 0 0 302.329 4.172 50 0 DIAARN CCn1ccc2cc(CCC(=O)N(C)Cc3ccccc3)ccc21 ZINC000075550636 563883891 /nfs/dbraw/zinc/88/38/91/563883891.db2.gz BHBKUANOZLWLKX-UHFFFAOYSA-N 0 0 320.436 4.252 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@@](C)(O)C=C[C@]34C)[C@H]1CC[C@@H]2O ZINC000252622884 563883910 /nfs/dbraw/zinc/88/39/10/563883910.db2.gz OETCOSLGEFSALY-FVRKDBNCSA-N 0 0 318.501 4.307 50 0 DIAARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc2[nH]ccc21 ZINC000075582850 563884578 /nfs/dbraw/zinc/88/45/78/563884578.db2.gz JHQUQDFGHYPMTM-UHFFFAOYSA-N 0 0 311.389 4.206 50 0 DIAARN Cc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1 ZINC000001910423 563884839 /nfs/dbraw/zinc/88/48/39/563884839.db2.gz DTGFWMXJPVPFGT-UHFFFAOYSA-N 0 0 303.789 4.446 50 0 DIAARN C[C@H]1C[C@H](C(=O)OCc2ccc(Cl)s2)c2ccccc2N1 ZINC000078999747 563885589 /nfs/dbraw/zinc/88/55/89/563885589.db2.gz WAFOQERJYNGVML-GWCFXTLKSA-N 0 0 321.829 4.433 50 0 DIAARN O=C(Nc1cnccc1-c1cccc(F)c1)c1ccoc1Cl ZINC000192337337 563885735 /nfs/dbraw/zinc/88/57/35/563885735.db2.gz YMWKZJLAWLHUPN-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN CCCCC1CCC(C(=O)Oc2ccc(C=O)c(O)c2)CC1 ZINC000001950646 563886199 /nfs/dbraw/zinc/88/61/99/563886199.db2.gz VSORKIBYDDPNHN-UHFFFAOYSA-N 0 0 304.386 4.107 50 0 DIAARN CCCOc1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000001920375 563886270 /nfs/dbraw/zinc/88/62/70/563886270.db2.gz FXVGBRSSIDRZLU-AWNIVKPZSA-N 0 0 312.365 4.103 50 0 biogenic DIAARN CC1(C)[C@@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@]1(C)C(=O)C2 ZINC000000308206 563886641 /nfs/dbraw/zinc/88/66/41/563886641.db2.gz UPJYLPZNLJGXSV-SJORKVTESA-N 0 0 305.805 4.064 50 0 biogenic DIAARN C[C@@H](NC(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC000013329987 563888291 /nfs/dbraw/zinc/88/82/91/563888291.db2.gz ZLNWJRHUCKWUAY-SECBINFHSA-N 0 0 301.217 4.296 50 0 DIAARN CCc1cccc(C)c1NC(=O)CNc1ccc(F)cc1Cl ZINC000007972572 563890503 /nfs/dbraw/zinc/89/05/03/563890503.db2.gz FHOFMDCEHFVLQP-UHFFFAOYSA-N 0 0 320.795 4.401 50 0 DIAARN C[C@H](Sc1nnc(N)s1)[C@H](C)c1nc2ccccc2s1 ZINC000079020081 563890783 /nfs/dbraw/zinc/89/07/83/563890783.db2.gz LREUHJGXGSXFBH-YUMQZZPRSA-N 0 0 322.484 4.014 50 0 DIAARN CC(C)CN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)C(C)C ZINC000036004666 563891491 /nfs/dbraw/zinc/89/14/91/563891491.db2.gz XELOWGZBHDTOTB-UHFFFAOYSA-N 0 0 318.392 4.121 50 0 DIAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000002067950 563891554 /nfs/dbraw/zinc/89/15/54/563891554.db2.gz ZFDVJGIDKXAMSE-UHFFFAOYSA-N 0 0 311.381 4.068 50 0 DIAARN CC(C)(C)CC(=O)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000064678089 563892086 /nfs/dbraw/zinc/89/20/86/563892086.db2.gz FWXIGINJKGEVML-UHFFFAOYSA-N 0 0 321.436 4.269 50 0 DIAARN Cc1cccc(-c2noc(-c3ccc(N4CCCCC4)nc3)n2)c1 ZINC000064676855 563892263 /nfs/dbraw/zinc/89/22/63/563892263.db2.gz MTUBUZSRRSXARP-UHFFFAOYSA-N 0 0 320.396 4.097 50 0 DIAARN CCc1noc2nc(C)nc(Nc3cccc(C(F)(F)F)c3)c12 ZINC000064658810 563892271 /nfs/dbraw/zinc/89/22/71/563892271.db2.gz ADOCXIKWXSYRNB-UHFFFAOYSA-N 0 0 322.290 4.251 50 0 DIAARN CCn1cnc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc21 ZINC000064759514 563893946 /nfs/dbraw/zinc/89/39/46/563893946.db2.gz JTEDOKYDECOVLW-UHFFFAOYSA-N 0 0 324.771 4.427 50 0 DIAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1 ZINC000064818546 563894346 /nfs/dbraw/zinc/89/43/46/563894346.db2.gz WRDPZRMUIYDTIS-UHFFFAOYSA-N 0 0 320.396 4.107 50 0 DIAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)N(C)CCS2 ZINC000006802449 563894986 /nfs/dbraw/zinc/89/49/86/563894986.db2.gz CGHRNHPQPRKHPD-UHFFFAOYSA-N 0 0 312.438 4.098 50 0 DIAARN CCN1CCSc2ccc(C(=O)Nc3ccccc3C)cc21 ZINC000006802597 563895193 /nfs/dbraw/zinc/89/51/93/563895193.db2.gz SSMMNYFXRZDVJB-UHFFFAOYSA-N 0 0 312.438 4.179 50 0 DIAARN Cc1ccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)cc1 ZINC000064968256 563895472 /nfs/dbraw/zinc/89/54/72/563895472.db2.gz ITRVTFFPQQRKEO-UHFFFAOYSA-N 0 0 308.381 4.190 50 0 DIAARN COC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000602993613 563895526 /nfs/dbraw/zinc/89/55/26/563895526.db2.gz WUJXGAWRFBOHQR-UHFFFAOYSA-N 0 0 304.651 4.405 50 0 DIAARN CC(C)n1cccc1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000156146386 563895629 /nfs/dbraw/zinc/89/56/29/563895629.db2.gz ZHYWNPPYPWHROI-QGZVFWFLSA-N 0 0 310.441 4.335 50 0 DIAARN O=C1C[C@H](c2ccsc2)c2ncn(-c3ccccc3F)c2N1 ZINC000036358871 563896470 /nfs/dbraw/zinc/89/64/70/563896470.db2.gz CINCLXQUTDYLBE-LLVKDONJSA-N 0 0 313.357 4.197 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1cccc(C)c1C)C[C@@H](C)O2 ZINC000006842706 563896657 /nfs/dbraw/zinc/89/66/57/563896657.db2.gz MESUSJHPEIFQQB-CQSZACIVSA-N 0 0 310.397 4.431 50 0 DIAARN C[C@H]1CN(C(=O)Nc2ccccc2Cl)c2ccccc2O1 ZINC000006842631 563896686 /nfs/dbraw/zinc/89/66/86/563896686.db2.gz KTQVKYXECJXBMZ-NSHDSACASA-N 0 0 302.761 4.159 50 0 DIAARN Cc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1C ZINC000006842945 563896717 /nfs/dbraw/zinc/89/67/17/563896717.db2.gz YPTXWKHOCYHMAR-UHFFFAOYSA-N 0 0 316.788 4.388 50 0 DIAARN Cc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)C[C@H](C)O2 ZINC000006842689 563896723 /nfs/dbraw/zinc/89/67/23/563896723.db2.gz LROUZRFOFCIOQR-LBPRGKRZSA-N 0 0 316.788 4.468 50 0 DIAARN CC[C@@H]1CN(C(=O)NCc2ccc(C)cc2)c2cc(C)ccc2O1 ZINC000006843556 563896727 /nfs/dbraw/zinc/89/67/27/563896727.db2.gz LFEDVWFAJWDRJV-QGZVFWFLSA-N 0 0 324.424 4.191 50 0 aggregator DIAARN CCc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1 ZINC000006842940 563896761 /nfs/dbraw/zinc/89/67/61/563896761.db2.gz GQISBJYZOVYMKO-UHFFFAOYSA-N 0 0 316.788 4.333 50 0 DIAARN CC[C@H]1CN(C(=O)Nc2ccccc2F)c2cc(C)ccc2O1 ZINC000006843467 563896769 /nfs/dbraw/zinc/89/67/69/563896769.db2.gz OCHPNERHTYWVKQ-ZDUSSCGKSA-N 0 0 314.360 4.344 50 0 DIAARN CC[C@H]1CN(C(=O)Nc2ccc(F)cc2F)c2ccccc2O1 ZINC000006845753 563897167 /nfs/dbraw/zinc/89/71/67/563897167.db2.gz XFDFKXHCCRFGNU-LBPRGKRZSA-N 0 0 318.323 4.174 50 0 DIAARN O[C@H](SCc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002172566 563897197 /nfs/dbraw/zinc/89/71/97/563897197.db2.gz BOCIJEAEALDCIC-MRVPVSSYSA-N 0 0 306.041 4.262 50 0 DIAARN CCc1cccc(NC(=O)NCc2noc3ccc(C)cc23)c1 ZINC000006866121 563897551 /nfs/dbraw/zinc/89/75/51/563897551.db2.gz KZSOVVIIHSZRCQ-UHFFFAOYSA-N 0 0 309.369 4.020 50 0 DIAARN C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(F)cc1 ZINC000036390799 563897969 /nfs/dbraw/zinc/89/79/69/563897969.db2.gz WMRGLTJXNQYBDW-HNNXBMFYSA-N 0 0 322.383 4.036 50 0 DIAARN CC(C)c1ccc(CCNC(=O)Cc2ccccc2Cl)cc1 ZINC000006881587 563898298 /nfs/dbraw/zinc/89/82/98/563898298.db2.gz IZOCZNQBVOSQRV-UHFFFAOYSA-N 0 0 315.844 4.365 50 0 DIAARN CCc1cc2c(ncnc2NCc2cc(C)c(O)c(C)c2)s1 ZINC000036392457 563898342 /nfs/dbraw/zinc/89/83/42/563898342.db2.gz WKUHONBQRKKJOE-UHFFFAOYSA-N 0 0 313.426 4.188 50 0 DIAARN Cc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000006880720 563898428 /nfs/dbraw/zinc/89/84/28/563898428.db2.gz XODJUZMDOOWCEV-UHFFFAOYSA-N 0 0 312.756 4.053 50 0 DIAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1F ZINC000006888690 563898874 /nfs/dbraw/zinc/89/88/74/563898874.db2.gz HNWOKDLWJRAAPV-UHFFFAOYSA-N 0 0 316.134 4.453 50 0 DIAARN Cc1c(C)n(C)c2ccc(C(=O)NCCCc3ccccc3)cc12 ZINC000006902301 563899122 /nfs/dbraw/zinc/89/91/22/563899122.db2.gz IEICQQNQEOMJBN-UHFFFAOYSA-N 0 0 320.436 4.158 50 0 DIAARN CCc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 ZINC000006912197 563899138 /nfs/dbraw/zinc/89/91/38/563899138.db2.gz CBZLCLPSMLZJIB-UHFFFAOYSA-N 0 0 320.436 4.288 50 0 DIAARN CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913201 563899297 /nfs/dbraw/zinc/89/92/97/563899297.db2.gz LKKVSWWEIKDHCL-UHFFFAOYSA-N 0 0 306.409 4.056 50 0 DIAARN O=C(COC(=O)c1cc2c(s1)CCCCC2)c1cccs1 ZINC000006943805 563900092 /nfs/dbraw/zinc/90/00/92/563900092.db2.gz BZWTWQYLSPEDOI-UHFFFAOYSA-N 0 0 320.435 4.118 50 0 DIAARN CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000006939552 563900132 /nfs/dbraw/zinc/90/01/32/563900132.db2.gz QUAXQGYCHPJFDE-QGZVFWFLSA-N 0 0 319.857 4.299 50 0 DIAARN O=C(Nc1cc(-c2cccs2)no1)C1(c2ccccc2)CC1 ZINC000065152950 563900404 /nfs/dbraw/zinc/90/04/04/563900404.db2.gz WTMNRYUMXVNSJS-UHFFFAOYSA-N 0 0 310.378 4.073 50 0 DIAARN O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccccc1F ZINC000036619736 563901458 /nfs/dbraw/zinc/90/14/58/563901458.db2.gz SASHFOGNHZHHLL-QGZVFWFLSA-N 0 0 317.791 4.385 50 0 DIAARN O=C(CSCc1ccccc1F)Nc1ccc2c(c1)CCC2 ZINC000007058219 563901915 /nfs/dbraw/zinc/90/19/15/563901915.db2.gz CAVXDANDWOEXTC-UHFFFAOYSA-N 0 0 315.413 4.186 50 0 DIAARN O=C(N[C@H]1CCCc2ccccc21)c1nc2ccccc2s1 ZINC000036709757 563903220 /nfs/dbraw/zinc/90/32/20/563903220.db2.gz IUAGYYVENJFHQP-AWEZNQCLSA-N 0 0 308.406 4.104 50 0 DIAARN Clc1ccccc1CSc1cc(N2CCCC2)ncn1 ZINC000036708506 563903235 /nfs/dbraw/zinc/90/32/35/563903235.db2.gz JTNSHMOMOWKKMP-UHFFFAOYSA-N 0 0 305.834 4.023 50 0 DIAARN Cc1cc(CNCc2ccc(Sc3ccccc3)cc2)no1 ZINC000170053095 563903349 /nfs/dbraw/zinc/90/33/49/563903349.db2.gz MXJWBUYRNWCBKD-UHFFFAOYSA-N 0 0 310.422 4.424 50 0 DIAARN COc1ccc(-c2cc(Nc3cccc(C(C)=O)c3)ncn2)cc1 ZINC000036708969 563903428 /nfs/dbraw/zinc/90/34/28/563903428.db2.gz SNZLVJNKQDJXEG-UHFFFAOYSA-N 0 0 319.364 4.098 50 0 DIAARN Cc1ccc(CN(C)C(=O)c2ccc3c4c(cccc42)CC3)o1 ZINC000036714373 563903605 /nfs/dbraw/zinc/90/36/05/563903605.db2.gz WWKVLRBWLYQSML-UHFFFAOYSA-N 0 0 305.377 4.112 50 0 DIAARN CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 ZINC000007176718 563903864 /nfs/dbraw/zinc/90/38/64/563903864.db2.gz DEOHHYYSDRQMJW-LBPRGKRZSA-N 0 0 320.483 4.063 50 0 DIAARN CC[C@H](NC(=O)C[C@@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036752662 563903886 /nfs/dbraw/zinc/90/38/86/563903886.db2.gz NLGGYOWEYQKNGW-MOAASNJQSA-N 0 0 301.474 4.454 50 0 DIAARN O=C(CSC/C=C/c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000007150418 563903972 /nfs/dbraw/zinc/90/39/72/563903972.db2.gz CTWVUNFSWZVWBQ-QPJJXVBHSA-N 0 0 319.376 4.350 50 0 DIAARN C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCC1 ZINC000007225228 563904625 /nfs/dbraw/zinc/90/46/25/563904625.db2.gz AVKHYXFYBTZONI-CYBMUJFWSA-N 0 0 308.381 4.009 50 0 DIAARN Cc1noc(C)c1CNc1ccccc1NC(=O)c1ccccc1 ZINC000036843399 563904686 /nfs/dbraw/zinc/90/46/86/563904686.db2.gz KYTPWFXPJVSLOD-UHFFFAOYSA-N 0 0 321.380 4.156 50 0 DIAARN CCCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007262558 563904941 /nfs/dbraw/zinc/90/49/41/563904941.db2.gz BRMDFLPHPHZSKI-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN CC1(C)C[C@@H](c2csc(NC(=O)c3ccccc3)n2)CCO1 ZINC000003152897 563905758 /nfs/dbraw/zinc/90/57/58/563905758.db2.gz JWLUAGDPRLAXNX-ZDUSSCGKSA-N 0 0 316.426 4.068 50 0 DIAARN CCOc1ccccc1NC(=O)CSCc1cccs1 ZINC000007398490 563905856 /nfs/dbraw/zinc/90/58/56/563905856.db2.gz PTYXXVFBVJNUMR-UHFFFAOYSA-N 0 0 307.440 4.019 50 0 DIAARN Cc1ccc(C(=O)COC(=O)c2cc3ccccc3s2)s1 ZINC000007413126 563906126 /nfs/dbraw/zinc/90/61/26/563906126.db2.gz HWTMMCRVVFTXMB-UHFFFAOYSA-N 0 0 316.403 4.311 50 0 DIAARN Cc1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2)cc1 ZINC000007424956 563906314 /nfs/dbraw/zinc/90/63/14/563906314.db2.gz YNOOSZKZSPRTSN-UHFFFAOYSA-N 0 0 320.327 4.241 50 0 DIAARN CC(C)c1nnc(Sc2nc3ccccc3s2)n1C1CC1 ZINC000037133008 563906372 /nfs/dbraw/zinc/90/63/72/563906372.db2.gz WUZKRKPYBVTOOJ-UHFFFAOYSA-N 0 0 316.455 4.497 50 0 DIAARN Cc1cc2nnc(SCc3cncc(F)c3)n2c2ccccc12 ZINC000170597166 563907109 /nfs/dbraw/zinc/90/71/09/563907109.db2.gz VMZGTPCBPHVMNY-UHFFFAOYSA-N 0 0 324.384 4.017 50 0 DIAARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(C)c(C)c3)o2)c1 ZINC000007510366 563907348 /nfs/dbraw/zinc/90/73/48/563907348.db2.gz GSTIXEFCCGRVPJ-UHFFFAOYSA-N 0 0 321.380 4.223 50 0 DIAARN CC(=O)c1ccc(NC(=O)N(C)C2CCCCCCC2)cc1 ZINC000170606011 563907729 /nfs/dbraw/zinc/90/77/29/563907729.db2.gz QWWHLYHHNNLKGQ-UHFFFAOYSA-N 0 0 302.418 4.466 50 0 DIAARN CSc1ccccc1NCc1c[nH]nc1-c1cccs1 ZINC000037279194 563908095 /nfs/dbraw/zinc/90/80/95/563908095.db2.gz SHKSIOWGGGRADX-UHFFFAOYSA-N 0 0 301.440 4.472 50 0 DIAARN Cc1nc2scc(CC(C)C)c2c(N[C@@H](C)c2ncc[nH]2)n1 ZINC000170616214 563908492 /nfs/dbraw/zinc/90/84/92/563908492.db2.gz KGRIHVDQZPIYAA-JTQLQIEISA-N 0 0 315.446 4.094 50 0 DIAARN O=C(NCCc1ccccc1F)c1ccc(-c2ccccc2)cc1 ZINC000007545208 563908612 /nfs/dbraw/zinc/90/86/12/563908612.db2.gz WERXKOHPRYZAHB-UHFFFAOYSA-N 0 0 319.379 4.465 50 0 DIAARN Cc1ccc(C)c(CSCc2cn3c(n2)nc(C)cc3C)c1 ZINC000170622326 563908708 /nfs/dbraw/zinc/90/87/08/563908708.db2.gz VJCGONCGPNLRBY-UHFFFAOYSA-N 0 0 311.454 4.396 50 0 DIAARN Cc1nc2ccccc2nc1NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000170631085 563908937 /nfs/dbraw/zinc/90/89/37/563908937.db2.gz SBMSLOVVLUKWBL-PBHICJAKSA-N 0 0 313.445 4.191 50 0 DIAARN Cc1nc2ccccc2nc1NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000170631087 563908939 /nfs/dbraw/zinc/90/89/39/563908939.db2.gz SBMSLOVVLUKWBL-WMLDXEAASA-N 0 0 313.445 4.191 50 0 DIAARN COc1ccc(CC(=O)OCc2cccc3ccccc32)cc1F ZINC000007568870 563908972 /nfs/dbraw/zinc/90/89/72/563908972.db2.gz ONJYXBVBVKNKCE-UHFFFAOYSA-N 0 0 324.351 4.273 50 0 DIAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](Cc2ccccc2)S1 ZINC000071284575 563909022 /nfs/dbraw/zinc/90/90/22/563909022.db2.gz BHLGRBMRSNPPDM-ZDUSSCGKSA-N 0 0 301.415 4.250 50 0 DIAARN CSc1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000013320113 563909431 /nfs/dbraw/zinc/90/94/31/563909431.db2.gz HLZZKNNRLBTKEM-UHFFFAOYSA-N 0 0 320.845 4.426 50 0 DIAARN CSc1cccc(NC(=O)NCc2ccccc2Cl)c1 ZINC000013320141 563909461 /nfs/dbraw/zinc/90/94/61/563909461.db2.gz YXGJQNOJDGAZSW-UHFFFAOYSA-N 0 0 306.818 4.384 50 0 DIAARN O=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013283716 563909547 /nfs/dbraw/zinc/90/95/47/563909547.db2.gz PFBVIOJZAMJZCQ-UHFFFAOYSA-N 0 0 315.682 4.398 50 0 DIAARN Cc1cc(C)nc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000013328019 563909690 /nfs/dbraw/zinc/90/96/90/563909690.db2.gz FMESRZPMVLFYJN-UHFFFAOYSA-N 0 0 309.196 4.186 50 0 DIAARN CC(=O)c1cccc(NC(=S)NCc2cccc(Cl)c2)c1 ZINC000013747900 563910002 /nfs/dbraw/zinc/91/00/02/563910002.db2.gz BEZHIERWEJPOLO-UHFFFAOYSA-N 0 0 318.829 4.029 50 0 DIAARN CC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 ZINC000013797066 563910111 /nfs/dbraw/zinc/91/01/11/563910111.db2.gz QTBVRIXZCVEULZ-UHFFFAOYSA-N 0 0 318.829 4.029 50 0 DIAARN CCCCNC(=O)c1oc2ccc(Br)cc2c1C ZINC000014182481 563910441 /nfs/dbraw/zinc/91/04/41/563910441.db2.gz CEGWUAQHZJKIHX-UHFFFAOYSA-N 0 0 310.191 4.034 50 0 DIAARN Cc1cnc(CN2CCc3ccccc3[C@H]2Cc2ccccc2)o1 ZINC000089702346 563911029 /nfs/dbraw/zinc/91/10/29/563911029.db2.gz QWYCBEJIEFLSOR-HXUWFJFHSA-N 0 0 318.420 4.325 50 0 DIAARN CC(C)(C)n1cc(-c2nc3ccccc3n2CC(F)(F)F)cn1 ZINC000089761603 563911295 /nfs/dbraw/zinc/91/12/95/563911295.db2.gz FNWBUWADOJFIHJ-UHFFFAOYSA-N 0 0 322.334 4.217 50 0 DIAARN Clc1ccccc1-c1nnc(CSC[C@@H]2CCCCO2)o1 ZINC000089821286 563911444 /nfs/dbraw/zinc/91/14/44/563911444.db2.gz WDBIJJFRXNCXCH-NSHDSACASA-N 0 0 324.833 4.192 50 0 DIAARN CC(C)c1cc(Br)ccc1NCc1ccc(CO)o1 ZINC000089807231 563911482 /nfs/dbraw/zinc/91/14/82/563911482.db2.gz UWPMEOANQMUVGU-UHFFFAOYSA-N 0 0 324.218 4.270 50 0 DIAARN Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2cc(C)sc2C)n1 ZINC000075969984 563911536 /nfs/dbraw/zinc/91/15/36/563911536.db2.gz NGFZVSAFKVUUQM-QWRGUYRKSA-N 0 0 323.487 4.251 50 0 DIAARN C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)c2ccccc2S1 ZINC000089930056 563912318 /nfs/dbraw/zinc/91/23/18/563912318.db2.gz VFXQWPRZKKMJAO-LLVKDONJSA-N 0 0 314.410 4.083 50 0 DIAARN CC(=O)c1ccc(NC(=O)Nc2c(C)noc2C2CC2)cc1C ZINC000122306318 563912327 /nfs/dbraw/zinc/91/23/27/563912327.db2.gz SFDFDSXAYIHTRW-UHFFFAOYSA-N 0 0 313.357 4.015 50 0 DIAARN CC[C@H](Sc1nncn1C1CC1)C(=O)c1ccc(Cl)cc1 ZINC000089941920 563912370 /nfs/dbraw/zinc/91/23/70/563912370.db2.gz PTHAGIPPMHGOKS-ZDUSSCGKSA-N 0 0 321.833 4.020 50 0 DIAARN C[C@@H](N[C@@H](C)c1cnccn1)c1cc2cc(Cl)ccc2o1 ZINC000090034784 563912474 /nfs/dbraw/zinc/91/24/74/563912474.db2.gz ICAQPQIFCILBNM-WDEREUQCSA-N 0 0 301.777 4.288 50 0 DIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccccc2C)CO1 ZINC000002113364 563914214 /nfs/dbraw/zinc/91/42/14/563914214.db2.gz AGCCJSABFPKECG-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN COc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000044633 563915443 /nfs/dbraw/zinc/91/54/43/563915443.db2.gz WTWXIOPOGRTSCU-UHFFFAOYSA-N 0 0 324.401 4.195 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCc2cc3ccccc3[nH]2)o1 ZINC000252467340 563915533 /nfs/dbraw/zinc/91/55/33/563915533.db2.gz DLUZKVUOZYMCDQ-XQUSNGRISA-N 0 0 320.392 4.214 50 0 DIAARN COc1cc(SC)ccc1NC(=O)c1cccc2cc[nH]c21 ZINC000193240938 563915542 /nfs/dbraw/zinc/91/55/42/563915542.db2.gz XWMTUTQWIYOGTE-UHFFFAOYSA-N 0 0 312.394 4.151 50 0 DIAARN NC(=O)[C@@H](c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 ZINC000002173566 563915580 /nfs/dbraw/zinc/91/55/80/563915580.db2.gz CQNVIGGYUXKNSD-RTWAWAEBSA-N 0 0 315.416 4.282 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1 ZINC000001400336 563915667 /nfs/dbraw/zinc/91/56/67/563915667.db2.gz FZNVBFHOJZDXTL-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN Cc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1Cl ZINC000002522060 563915797 /nfs/dbraw/zinc/91/57/97/563915797.db2.gz JGNJFWFLZCDBDL-UHFFFAOYSA-N 0 0 317.772 4.062 50 0 DIAARN O=C(C1CCC1)N1[C@@H]2CCCC[C@@H]2C[C@H]1c1nc2ccccc2[nH]1 ZINC000252498054 563916203 /nfs/dbraw/zinc/91/62/03/563916203.db2.gz LYUZNTSJFSMTOL-OLMNPRSZSA-N 0 0 323.440 4.195 50 0 DIAARN CCCC(=O)Nc1cnn(-c2cccc(Cl)c2)c1C(C)C ZINC000252507686 563916313 /nfs/dbraw/zinc/91/63/13/563916313.db2.gz WRNLRCKBNVFVDU-UHFFFAOYSA-N 0 0 305.809 4.388 50 0 DIAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cc(F)ccc1F ZINC000015005394 563916358 /nfs/dbraw/zinc/91/63/58/563916358.db2.gz JVXOKAKAADRGAJ-UHFFFAOYSA-N 0 0 314.335 4.408 50 0 DIAARN CC(=O)c1c(F)cccc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000252517208 563916619 /nfs/dbraw/zinc/91/66/19/563916619.db2.gz BYKZATKQQYIETI-BZNIZROVSA-N 0 0 319.401 4.056 50 0 DIAARN C[C@H](CCNc1cccc(C[S@](C)=O)c1)c1ccccc1 ZINC000194158276 563916863 /nfs/dbraw/zinc/91/68/63/563916863.db2.gz KSZOQZODLVGVSG-VFNWGFHPSA-N 0 0 301.455 4.171 50 0 DIAARN CCc1nnc(CSc2cc(C(C)(C)C)ccc2C)n1C ZINC000252532877 563917002 /nfs/dbraw/zinc/91/70/02/563917002.db2.gz FJSKBZQUGUCKKG-UHFFFAOYSA-N 0 0 303.475 4.276 50 0 DIAARN CCCn1nc(C)c(C(=O)N2CCCC[C@H]3CCCC[C@H]32)c1C ZINC000252549310 563917078 /nfs/dbraw/zinc/91/70/78/563917078.db2.gz RDOANPOTAAKDIS-IAGOWNOFSA-N 0 0 317.477 4.095 50 0 DIAARN CCOc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000007639614 563917584 /nfs/dbraw/zinc/91/75/84/563917584.db2.gz ASWLUAYADUGDTR-UHFFFAOYSA-N 0 0 300.402 4.337 50 0 DIAARN C[C@@H](c1ccco1)N(C(=O)c1ccc(Br)o1)C1CC1 ZINC000065828290 563917663 /nfs/dbraw/zinc/91/76/63/563917663.db2.gz OXIIPVUKGPMWCL-VIFPVBQESA-N 0 0 324.174 4.001 50 0 DIAARN CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccccc3)o2)cc1 ZINC000007657686 563917695 /nfs/dbraw/zinc/91/76/95/563917695.db2.gz JCTLNWGJHHXVFB-UHFFFAOYSA-N 0 0 306.317 4.368 50 0 DIAARN Cc1nc(NC(=O)COc2cc(C)ccc2C(C)C)sc1C ZINC000007685857 563917910 /nfs/dbraw/zinc/91/79/10/563917910.db2.gz NAOLHUPFRNSOIQ-UHFFFAOYSA-N 0 0 318.442 4.209 50 0 DIAARN Cc1ccc(CN(C)C(=S)Nc2cccc(Cl)c2C)o1 ZINC000007677141 563917875 /nfs/dbraw/zinc/91/78/75/563917875.db2.gz FYZGXQXESTYQJA-UHFFFAOYSA-N 0 0 308.834 4.379 50 0 DIAARN O=C(Nc1ccnn1C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000007705606 563918103 /nfs/dbraw/zinc/91/81/03/563918103.db2.gz LRTVRDKDNAXFIY-UHFFFAOYSA-N 0 0 323.318 4.269 50 0 DIAARN O=C(Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 ZINC000007705609 563918155 /nfs/dbraw/zinc/91/81/55/563918155.db2.gz CPKZXKRADUDPEF-UHFFFAOYSA-N 0 0 305.381 4.404 50 0 DIAARN COc1ccc(OC)c(C(=O)N(C)c2ccc3ccccc3c2)c1 ZINC000007735606 563918531 /nfs/dbraw/zinc/91/85/31/563918531.db2.gz AQXKTROVTCAJRJ-UHFFFAOYSA-N 0 0 321.376 4.134 50 0 DIAARN CCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 ZINC000037541339 563918548 /nfs/dbraw/zinc/91/85/48/563918548.db2.gz VFNZCMMBEVIWSA-UHFFFAOYSA-N 0 0 312.438 4.199 50 0 DIAARN Cc1ccc(Cn2c(C(=O)NCC3CC3)cc3sccc32)cc1 ZINC000037525816 563918633 /nfs/dbraw/zinc/91/86/33/563918633.db2.gz LOZXYDYZOBLQQC-UHFFFAOYSA-N 0 0 324.449 4.199 50 0 DIAARN CC(=O)c1ccc(Oc2nc3cc(C)nn3c3ccccc32)cc1 ZINC000007737820 563918801 /nfs/dbraw/zinc/91/88/01/563918801.db2.gz BXPRFAMJRMSRKI-UHFFFAOYSA-N 0 0 317.348 4.186 50 0 DIAARN CC[C@H](C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000007782225 563919289 /nfs/dbraw/zinc/91/92/89/563919289.db2.gz VLDZWPBXMHZEEG-HNNXBMFYSA-N 0 0 306.409 4.223 50 0 DIAARN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000007794243 563919477 /nfs/dbraw/zinc/91/94/77/563919477.db2.gz YWAQPCOCMDBVJI-LBPRGKRZSA-N 0 0 307.315 4.239 50 0 DIAARN Cc1cccc(C)c1NC(=O)CNc1ccc(C(F)(F)F)cc1 ZINC000015122964 563919599 /nfs/dbraw/zinc/91/95/99/563919599.db2.gz RFLAQHAUBQHJPU-UHFFFAOYSA-N 0 0 322.330 4.373 50 0 DIAARN Cc1ccc(F)cc1NCC(=O)Nc1ccc(C(C)C)cc1 ZINC000015122812 563919601 /nfs/dbraw/zinc/91/96/01/563919601.db2.gz HMSNIXAFCWIBIB-UHFFFAOYSA-N 0 0 300.377 4.308 50 0 DIAARN c1ccc(-c2nsc(N[C@H]3CCO[C@@H]3c3ccccc3)n2)cc1 ZINC000195533514 563919612 /nfs/dbraw/zinc/91/96/12/563919612.db2.gz QJBYPLUWEPHYEQ-JKSUJKDBSA-N 0 0 323.421 4.147 50 0 DIAARN CSc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000007814309 563919974 /nfs/dbraw/zinc/91/99/74/563919974.db2.gz IZAGUXIIWSKARZ-AWEZNQCLSA-N 0 0 315.463 4.375 50 0 DIAARN C[C@@H]1c2ccsc2CCN1C(=O)c1cc2c(s1)CCC2 ZINC000007829869 563919983 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O=C(NCc1cccs1)c1cccc(OCc2ccccc2)c1 ZINC000002644347 563940117 /nfs/dbraw/zinc/94/01/17/563940117.db2.gz QXHWPEBNWMUGKI-UHFFFAOYSA-N 0 0 323.417 4.257 50 0 DIAARN CSc1nc2ccc(NC(=O)c3ccc(C)o3)cc2s1 ZINC000002645958 563940128 /nfs/dbraw/zinc/94/01/28/563940128.db2.gz AOGHTSWGVBXXCP-UHFFFAOYSA-N 0 0 304.396 4.172 50 0 DIAARN CCOc1ccccc1NC(=S)Nc1cc(C)ccc1OC ZINC000002663200 563940210 /nfs/dbraw/zinc/94/02/10/563940210.db2.gz OYQOJRCPKKLKAP-UHFFFAOYSA-N 0 0 316.426 4.211 50 0 DIAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000002661285 563940248 /nfs/dbraw/zinc/94/02/48/563940248.db2.gz RHCFNTITLQSYKP-LJQANCHMSA-N 0 0 324.424 4.351 50 0 DIAARN CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(F)cc2)cc1 ZINC000002729621 563940434 /nfs/dbraw/zinc/94/04/34/563940434.db2.gz GDTZBONKVKGENM-MDWZMJQESA-N 0 0 311.400 4.453 50 0 DIAARN O=C1c2ccccc2N[C@@H](c2ccco2)N1c1ccc(F)cc1 ZINC000002745298 563940617 /nfs/dbraw/zinc/94/06/17/563940617.db2.gz LXRXJADOPPOVEO-QGZVFWFLSA-N 0 0 308.312 4.190 50 0 DIAARN O=C(/C=C/c1ccco1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000002910436 563941103 /nfs/dbraw/zinc/94/11/03/563941103.db2.gz RBTPVRPQCKOBLP-FBRRREGBSA-N 0 0 317.388 4.393 50 0 DIAARN CCCCc1ccc(C(=O)Nc2nnc(SCC)s2)cc1 ZINC000002871728 563941134 /nfs/dbraw/zinc/94/11/34/563941134.db2.gz GEIMKALXCRZEGI-UHFFFAOYSA-N 0 0 321.471 4.245 50 0 DIAARN C[C@@H](Oc1ccccc1)c1ccnn1C(=O)Nc1ccccc1 ZINC000003017449 563941578 /nfs/dbraw/zinc/94/15/78/563941578.db2.gz CVYZCDZOISYKJO-CQSZACIVSA-N 0 0 307.353 4.103 50 0 DIAARN Cc1cc2sc(NC(=O)C(C)(Cl)Cl)nc2cc1Cl ZINC000003169097 563942405 /nfs/dbraw/zinc/94/24/05/563942405.db2.gz TWQVOZBAOYLLEX-UHFFFAOYSA-N 0 0 323.632 4.390 50 0 DIAARN Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1 ZINC000003038611 563941833 /nfs/dbraw/zinc/94/18/33/563941833.db2.gz CPDJBVPVWYTRMR-HNNXBMFYSA-N 0 0 318.420 4.294 50 0 DIAARN O=C(NC1CCCCCCC1)c1cccc(Br)c1 ZINC000003093813 563942168 /nfs/dbraw/zinc/94/21/68/563942168.db2.gz INJPZRNOYJSXNR-UHFFFAOYSA-N 0 0 310.235 4.292 50 0 DIAARN O=C(c1ccc(Cl)cc1)N(c1ccccn1)c1ccccn1 ZINC000003169114 563942461 /nfs/dbraw/zinc/94/24/61/563942461.db2.gz BWPPLXQGIQVEDQ-UHFFFAOYSA-N 0 0 309.756 4.109 50 0 DIAARN O=C(NCc1ccccc1)c1cccc(Oc2ccccc2)c1 ZINC000003149871 563942542 /nfs/dbraw/zinc/94/25/42/563942542.db2.gz ZWLHUMXMYAFVQO-UHFFFAOYSA-N 0 0 303.361 4.409 50 0 DIAARN CC(=O)c1cccc(NC(=O)CSc2ccccc2Cl)c1 ZINC000003217613 563942977 /nfs/dbraw/zinc/94/29/77/563942977.db2.gz FJGIOYBWPWONNT-UHFFFAOYSA-N 0 0 319.813 4.273 50 0 DIAARN O=C(CC1CCCC1)OCC(=O)c1ccc(Cl)cc1Cl ZINC000003240086 563943107 /nfs/dbraw/zinc/94/31/07/563943107.db2.gz HDPCIBZRVPWYFI-UHFFFAOYSA-N 0 0 315.196 4.300 50 0 DIAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 ZINC000003236316 563943119 /nfs/dbraw/zinc/94/31/19/563943119.db2.gz JWCDRLDJGINQLF-UHFFFAOYSA-N 0 0 309.837 4.194 50 0 DIAARN O=C1N[C@H](c2ccc(Oc3ccccc3)cc2)Nc2ccccc21 ZINC000003241084 563943129 /nfs/dbraw/zinc/94/31/29/563943129.db2.gz IGZBXTSDZBGWQI-LJQANCHMSA-N 0 0 316.360 4.333 50 0 DIAARN O=C(NCc1cccnc1)c1cc2sc3ccccc3c2s1 ZINC000003238238 563943205 /nfs/dbraw/zinc/94/32/05/563943205.db2.gz BJJKSAMLHZRXQO-UHFFFAOYSA-N 0 0 324.430 4.441 50 0 DIAARN CC[C@H](C)c1ccccc1NC(=O)CNc1ccc(F)cc1 ZINC000003257560 563943364 /nfs/dbraw/zinc/94/33/64/563943364.db2.gz BBVWAMFUAZYFIZ-ZDUSSCGKSA-N 0 0 300.377 4.390 50 0 DIAARN COc1ccccc1CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003321902 563943427 /nfs/dbraw/zinc/94/34/27/563943427.db2.gz VQSKMZIGTMILJX-UHFFFAOYSA-N 0 0 317.388 4.292 50 0 DIAARN O=C(OCc1csc(-c2ccccc2)n1)c1cccc(F)c1 ZINC000003322757 563943574 /nfs/dbraw/zinc/94/35/74/563943574.db2.gz DWVPLCIOOCFDRX-UHFFFAOYSA-N 0 0 313.353 4.306 50 0 DIAARN O=C(C1CCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000003363713 563943774 /nfs/dbraw/zinc/94/37/74/563943774.db2.gz RXNQGXGGBTUNCO-CQSZACIVSA-N 0 0 300.427 4.150 50 0 DIAARN Cc1cccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)c1 ZINC000003478164 563944130 /nfs/dbraw/zinc/94/41/30/563944130.db2.gz RNLTVCJLRKVPAT-UHFFFAOYSA-N 0 0 321.471 4.297 50 0 DIAARN COc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000031038391 563944192 /nfs/dbraw/zinc/94/41/92/563944192.db2.gz KISZCWUFNVWVCL-IBGZPJMESA-N 0 0 324.424 4.050 50 0 DIAARN Cc1csc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)n1 ZINC000031228177 563944387 /nfs/dbraw/zinc/94/43/87/563944387.db2.gz FYHYTPVTBHQFSS-UHFFFAOYSA-N 0 0 319.411 4.037 50 0 DIAARN O=C(Nc1ccccc1N1CCc2ccccc21)c1ccco1 ZINC000031532105 563944611 /nfs/dbraw/zinc/94/46/11/563944611.db2.gz DUYMWFPKRXTCDC-UHFFFAOYSA-N 0 0 304.349 4.226 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1 ZINC000031803670 563944686 /nfs/dbraw/zinc/94/46/86/563944686.db2.gz DBUOXKQHDIHDIL-MRXNPFEDSA-N 0 0 300.427 4.113 50 0 DIAARN Cc1noc(C)c1C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000031805436 563944700 /nfs/dbraw/zinc/94/47/00/563944700.db2.gz HOKLVEMYWZGILY-OAHLLOKOSA-N 0 0 304.415 4.014 50 0 DIAARN Cc1cccc(F)c1C(=O)N[C@H](CC(C)(C)C)c1cccnc1 ZINC000670455909 563944784 /nfs/dbraw/zinc/94/47/84/563944784.db2.gz QXQBLJYZAFPBCG-MRXNPFEDSA-N 0 0 314.404 4.436 50 0 DIAARN Cc1ccc([C@H](NC(=O)NCc2ccccc2F)C2CC2)cc1 ZINC000031725724 563944793 /nfs/dbraw/zinc/94/47/93/563944793.db2.gz PPZOQBFXIJXDCV-SFHVURJKSA-N 0 0 312.388 4.085 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004023052 563944916 /nfs/dbraw/zinc/94/49/16/563944916.db2.gz XWALNWXLMVGSFR-MUJBESKKSA-N 0 0 300.442 4.045 50 0 biogenic DIAARN FC(F)(F)c1ccc(CNc2ncnc3ccccc32)cc1 ZINC000031949119 563945014 /nfs/dbraw/zinc/94/50/14/563945014.db2.gz QSVIIVXZAWCXSR-UHFFFAOYSA-N 0 0 303.287 4.261 50 0 DIAARN Cc1nc(NC(=O)c2cccs2)sc1-c1ccccc1 ZINC000031968363 563945121 /nfs/dbraw/zinc/94/51/21/563945121.db2.gz OSHIHBYCHGKFHX-UHFFFAOYSA-N 0 0 300.408 4.432 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004081588 563945181 /nfs/dbraw/zinc/94/51/81/563945181.db2.gz JRNSSSJKIGAFCT-QUEHFYTJSA-N 0 0 302.458 4.125 50 0 biogenic DIAARN O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-n2cccc2)cc1 ZINC000032094310 563945291 /nfs/dbraw/zinc/94/52/91/563945291.db2.gz QGFDYSZFKDGIEC-UHFFFAOYSA-N 0 0 301.349 4.211 50 0 DIAARN O=C(Oc1ccc2c(c1)onc2-c1ccccc1)c1ccncc1 ZINC000032096711 563945310 /nfs/dbraw/zinc/94/53/10/563945310.db2.gz LVMJFTNIUKPNPH-UHFFFAOYSA-N 0 0 316.316 4.109 50 0 DIAARN O=C(Cn1ccc2c1cccc2Cl)Nc1ccc2[nH]ccc2c1 ZINC000032105325 563945391 /nfs/dbraw/zinc/94/53/91/563945391.db2.gz ATEWSTFTHJTMLZ-UHFFFAOYSA-N 0 0 323.783 4.415 50 0 DIAARN O=C(NCc1cncc(-c2ccsc2)c1)Nc1cccs1 ZINC000218828113 563945542 /nfs/dbraw/zinc/94/55/42/563945542.db2.gz BEUWQWAHUPMUDG-UHFFFAOYSA-N 0 0 315.423 4.193 50 0 DIAARN CC(C)(NC(=O)[C@H]1CC=CCC1)c1ccc(Br)cc1 ZINC000032398970 563945649 /nfs/dbraw/zinc/94/56/49/563945649.db2.gz YNXXTNUJVWCPGY-LBPRGKRZSA-N 0 0 322.246 4.157 50 0 DIAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc2ccccc2n1 ZINC000007979652 563945875 /nfs/dbraw/zinc/94/58/75/563945875.db2.gz FOUBGAXUFWJRDP-UHFFFAOYSA-N 0 0 316.813 4.222 50 0 DIAARN C[N@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000263433230 563945927 /nfs/dbraw/zinc/94/59/27/563945927.db2.gz SWQZOINEPAMWLN-OALUTQOASA-N 0 0 309.409 4.153 50 0 DIAARN Oc1cccc2c(NC(=S)NCc3cccs3)cccc12 ZINC000007982720 563945940 /nfs/dbraw/zinc/94/59/40/563945940.db2.gz WLNCTYSWQLSDHK-UHFFFAOYSA-N 0 0 314.435 4.094 50 0 DIAARN O=C(CCc1nc2ccccc2s1)NCCC1=CCCCC1 ZINC000007988388 563945996 /nfs/dbraw/zinc/94/59/96/563945996.db2.gz FLOHTRNSIHIAQS-UHFFFAOYSA-N 0 0 314.454 4.236 50 0 DIAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000007997627 563946093 /nfs/dbraw/zinc/94/60/93/563946093.db2.gz JBASOEXKJWIREP-UHFFFAOYSA-N 0 0 311.312 4.347 50 0 DIAARN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1cccs1 ZINC000007990504 563946119 /nfs/dbraw/zinc/94/61/19/563946119.db2.gz YMXHKRBZUYDXHI-MRXNPFEDSA-N 0 0 308.406 4.274 50 0 DIAARN COc1ccccc1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000007990208 563946192 /nfs/dbraw/zinc/94/61/92/563946192.db2.gz SNHRATKOAXSECW-AWEZNQCLSA-N 0 0 305.377 4.339 50 0 DIAARN CC[C@H](C)[C@H](N)c1nnc(SCc2ccccc2Cl)o1 ZINC000008039278 563946277 /nfs/dbraw/zinc/94/62/77/563946277.db2.gz YKWYPUOJRTWQQQ-CABZTGNLSA-N 0 0 311.838 4.061 50 0 DIAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1ccccc1F ZINC000008037571 563946325 /nfs/dbraw/zinc/94/63/25/563946325.db2.gz NBRPHKSQFRXSHZ-UHFFFAOYSA-N 0 0 320.339 4.027 50 0 DIAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2ccccc2s1 ZINC000263476308 563946345 /nfs/dbraw/zinc/94/63/45/563946345.db2.gz FKTRJDTYJFZTLX-KCXAZCMYSA-N 0 0 315.438 4.119 50 0 DIAARN CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000008049955 563946436 /nfs/dbraw/zinc/94/64/36/563946436.db2.gz RDTPGRYOOQFEEE-ZDUSSCGKSA-N 0 0 301.411 4.123 50 0 DIAARN CCc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000008105497 563946605 /nfs/dbraw/zinc/94/66/05/563946605.db2.gz KLMNEYIUJRNHSN-UHFFFAOYSA-N 0 0 317.454 4.347 50 0 DIAARN C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1 ZINC000008086094 563946618 /nfs/dbraw/zinc/94/66/18/563946618.db2.gz OAEXTXKXPYEEQD-GFCCVEGCSA-N 0 0 310.784 4.379 50 0 DIAARN CC(C)c1ccc(CN(C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000008119474 563946731 /nfs/dbraw/zinc/94/67/31/563946731.db2.gz YXMGAEIFLFINJH-UHFFFAOYSA-N 0 0 314.404 4.020 50 0 DIAARN C[C@@H]1C[C@@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)o1 ZINC000008161445 563946945 /nfs/dbraw/zinc/94/69/45/563946945.db2.gz DNWMJKYEUTYVBM-CDNVCLAFSA-N 0 0 308.381 4.132 50 0 DIAARN Cc1sc2ncnc(NCCc3ccc(F)cc3)c2c1C ZINC000008177839 563946993 /nfs/dbraw/zinc/94/69/93/563946993.db2.gz ZFKHDKTZHVKPGN-UHFFFAOYSA-N 0 0 301.390 4.102 50 0 DIAARN COc1ccccc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000008211084 563947112 /nfs/dbraw/zinc/94/71/12/563947112.db2.gz IVNFHDSEJMGPRN-ZDUSSCGKSA-N 0 0 308.381 4.168 50 0 DIAARN CC(=O)NCc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000008208317 563947133 /nfs/dbraw/zinc/94/71/33/563947133.db2.gz LAROTLLTSSBJNC-UHFFFAOYSA-N 0 0 308.406 4.113 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000008232538 563947363 /nfs/dbraw/zinc/94/73/63/563947363.db2.gz GBJUIRCRZKYMLU-GHMZBOCLSA-N 0 0 309.335 4.131 50 0 DIAARN Cc1cccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1C ZINC000008238875 563947393 /nfs/dbraw/zinc/94/73/93/563947393.db2.gz PYQSNILPMPSOCR-OAHLLOKOSA-N 0 0 323.392 4.306 50 0 DIAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)CCC2 ZINC000008276354 563947482 /nfs/dbraw/zinc/94/74/82/563947482.db2.gz MULAFQBATNBLPK-UHFFFAOYSA-N 0 0 317.791 4.240 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000008268883 563947542 /nfs/dbraw/zinc/94/75/42/563947542.db2.gz NIURSQSMXKJRPS-CMPLNLGQSA-N 0 0 300.324 4.406 50 0 DIAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(C)no3)ccc21 ZINC000008272223 563947553 /nfs/dbraw/zinc/94/75/53/563947553.db2.gz KRAJSYHIFJMHMH-UHFFFAOYSA-N 0 0 319.364 4.363 50 0 DIAARN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1OC ZINC000008275369 563947563 /nfs/dbraw/zinc/94/75/63/563947563.db2.gz OGZXLOFLLDYZQJ-UHFFFAOYSA-N 0 0 317.410 4.068 50 0 DIAARN O=C(OCc1nc2ccccc2o1)c1cc2c(s1)CCCC2 ZINC000008278265 563947565 /nfs/dbraw/zinc/94/75/65/563947565.db2.gz XVQIKDKHQQAEMQ-UHFFFAOYSA-N 0 0 313.378 4.125 50 0 DIAARN Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000008279183 563947569 /nfs/dbraw/zinc/94/75/69/563947569.db2.gz XGTMQOHLYGXXIE-ZDUSSCGKSA-N 0 0 310.422 4.438 50 0 DIAARN CN1C(=O)Cc2cc(-c3csc(-c4ccc(F)cc4)n3)ccc21 ZINC000008296981 563947596 /nfs/dbraw/zinc/94/75/96/563947596.db2.gz YQUZFMVDVBVZQI-UHFFFAOYSA-N 0 0 324.380 4.135 50 0 DIAARN Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccs2)cc1C ZINC000008324538 563947818 /nfs/dbraw/zinc/94/78/18/563947818.db2.gz KZTYPOCLHSVLOS-CQSZACIVSA-N 0 0 315.438 4.205 50 0 DIAARN COC(=O)c1cc(Nc2ccc(C)cc2)c2cccc(F)c2n1 ZINC000038486814 563948298 /nfs/dbraw/zinc/94/82/98/563948298.db2.gz VGILGSWLRIMULL-UHFFFAOYSA-N 0 0 310.328 4.213 50 0 DIAARN Cc1ccc2[nH]c(SCc3ccc(-n4cccn4)cc3)nc2c1 ZINC000008458510 563948882 /nfs/dbraw/zinc/94/88/82/563948882.db2.gz OHNPQVFOLPGFOL-UHFFFAOYSA-N 0 0 320.421 4.349 50 0 DIAARN Cc1c(=O)c2ccccc2[nH]c1-c1ccccc1Br ZINC000067340160 563948975 /nfs/dbraw/zinc/94/89/75/563948975.db2.gz ONAPXTTUXCFRMV-UHFFFAOYSA-N 0 0 314.182 4.266 50 0 DIAARN Cc1ccc(-c2nnc(SCCOc3ccccc3)o2)cc1 ZINC000008586690 563949126 /nfs/dbraw/zinc/94/91/26/563949126.db2.gz WOCRINAKVPKRQV-UHFFFAOYSA-N 0 0 312.394 4.216 50 0 DIAARN C[C@H](NC(=O)Nc1cccc(SC(F)F)c1)c1ccncc1 ZINC000067356420 563949240 /nfs/dbraw/zinc/94/92/40/563949240.db2.gz ROJSGNWIAQJCDP-JTQLQIEISA-N 0 0 323.368 4.279 50 0 DIAARN Cc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1C ZINC000008610230 563949350 /nfs/dbraw/zinc/94/93/50/563949350.db2.gz GFQLOTNHACUFDO-KRWDZBQOSA-N 0 0 321.424 4.324 50 0 aggregator DIAARN O=C(Nc1ccccc1C(F)(F)F)c1ncoc1-c1ccco1 ZINC000008609263 563949352 /nfs/dbraw/zinc/94/93/52/563949352.db2.gz FDSGBARSNZNEKX-UHFFFAOYSA-N 0 0 322.242 4.206 50 0 DIAARN CC(C)c1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2o1 ZINC000008611359 563949363 /nfs/dbraw/zinc/94/93/63/563949363.db2.gz PIWHCXAURFGRLY-UHFFFAOYSA-N 0 0 312.344 4.020 50 0 DIAARN CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCc2ccccc21 ZINC000067479001 563949364 /nfs/dbraw/zinc/94/93/64/563949364.db2.gz TVCCMCFNXWJMJZ-AWEZNQCLSA-N 0 0 314.454 4.200 50 0 DIAARN CC(=O)c1ccc(Oc2ncnc3c4ccccc4oc32)cc1 ZINC000008607993 563949377 /nfs/dbraw/zinc/94/93/77/563949377.db2.gz CBLKJLXZYQXBKE-UHFFFAOYSA-N 0 0 304.305 4.371 50 0 DIAARN Cc1cc(NC(=O)[C@@H](Nc2cccc(C)c2)c2ccccc2)no1 ZINC000008707545 563949908 /nfs/dbraw/zinc/94/99/08/563949908.db2.gz WNHBMZLOLHGOOD-SFHVURJKSA-N 0 0 321.380 4.083 50 0 DIAARN O=C(Cc1cccc(F)c1)Nc1ccc(-c2nccs2)cc1 ZINC000008707042 563950051 /nfs/dbraw/zinc/95/00/51/563950051.db2.gz NYAABOBAFIKKPQ-UHFFFAOYSA-N 0 0 312.369 4.130 50 0 DIAARN CC(C)[C@H](NCc1nc(-c2cccs2)no1)c1cccs1 ZINC000067766326 563950060 /nfs/dbraw/zinc/95/00/60/563950060.db2.gz HNVJVRREAHFAKO-AWEZNQCLSA-N 0 0 319.455 4.347 50 0 DIAARN CCCCC1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1 ZINC000008725510 563950102 /nfs/dbraw/zinc/95/01/02/563950102.db2.gz LMALWMAYAJCVNQ-UHFFFAOYSA-N 0 0 313.445 4.176 50 0 DIAARN NC(=O)c1ccc(OCc2sc3ccccc3c2Cl)cc1 ZINC000008735167 563950325 /nfs/dbraw/zinc/95/03/25/563950325.db2.gz KLKRWSQEPNXRSP-UHFFFAOYSA-N 0 0 317.797 4.233 50 0 DIAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000008727324 563950338 /nfs/dbraw/zinc/95/03/38/563950338.db2.gz HKMUCEKXHDDZJA-CJNGLKHVSA-N 0 0 314.454 4.048 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl ZINC000008750723 563950532 /nfs/dbraw/zinc/95/05/32/563950532.db2.gz HPFDRLLLYMDFEJ-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN COc1ccc(-c2nnc(SCc3cccc(C)c3)o2)cc1 ZINC000008762274 563950547 /nfs/dbraw/zinc/95/05/47/563950547.db2.gz IXXPIUQUMOKQGR-UHFFFAOYSA-N 0 0 312.394 4.346 50 0 DIAARN COCCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1 ZINC000008750080 563950628 /nfs/dbraw/zinc/95/06/28/563950628.db2.gz WKGOCDDBXFVHCP-UHFFFAOYSA-N 0 0 324.833 4.082 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccs1 ZINC000008774396 563950741 /nfs/dbraw/zinc/95/07/41/563950741.db2.gz XHSIGAORLUVEMJ-NSHDSACASA-N 0 0 312.394 4.203 50 0 DIAARN COc1ccc2occ(C(=O)c3coc4ccc(OC)cc34)c2c1 ZINC000039929643 563951310 /nfs/dbraw/zinc/95/13/10/563951310.db2.gz WKMJNUNNVWVHRR-UHFFFAOYSA-N 0 0 322.316 4.427 50 0 DIAARN Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2)o1 ZINC000008917407 563951316 /nfs/dbraw/zinc/95/13/16/563951316.db2.gz LTMAVOJCFPTVCA-UHFFFAOYSA-N 0 0 310.353 4.415 50 0 DIAARN Cc1ccc2c(c1)c1c(n2C)C2=NN[C@H](c3ccccc3)[C@@H]2CC1 ZINC000039931778 563951363 /nfs/dbraw/zinc/95/13/63/563951363.db2.gz RYSLBWSHPGCSHL-QFBILLFUSA-N 0 0 315.420 4.098 50 0 DIAARN Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3C)cc12 ZINC000008920174 563951543 /nfs/dbraw/zinc/95/15/43/563951543.db2.gz BBWXGDAGDMEPTL-UHFFFAOYSA-N 0 0 319.817 4.157 50 0 DIAARN Cc1cc(C)cc(C(=O)Nc2cnc(-c3cccc(F)c3)nc2)c1 ZINC000040156838 563951684 /nfs/dbraw/zinc/95/16/84/563951684.db2.gz XRLXTLNBILBAIS-UHFFFAOYSA-N 0 0 321.355 4.152 50 0 DIAARN Cc1oc(-c2cccs2)nc1C(=O)N1CCCc2ccccc21 ZINC000040128044 563951689 /nfs/dbraw/zinc/95/16/89/563951689.db2.gz JPZZHUZRVVWIDN-UHFFFAOYSA-N 0 0 324.405 4.305 50 0 DIAARN CC(C)c1ccc([C@@H](C)NC(=O)c2noc3c2CCCC3)cc1 ZINC000040157117 563951704 /nfs/dbraw/zinc/95/17/04/563951704.db2.gz OQDZSLVKRFFLCH-CYBMUJFWSA-N 0 0 312.413 4.168 50 0 DIAARN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)cc1 ZINC000173014460 563951955 /nfs/dbraw/zinc/95/19/55/563951955.db2.gz HJHWUUPSVIOHGU-KRWDZBQOSA-N 0 0 310.397 4.228 50 0 DIAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000069463123 563953082 /nfs/dbraw/zinc/95/30/82/563953082.db2.gz KRLAGXUZXXWQNH-YJBOKZPZSA-N 0 0 323.440 4.076 50 0 DIAARN Cc1csc(-c2cccc(NC(=O)CCc3ccccn3)c2)n1 ZINC000069528382 563953128 /nfs/dbraw/zinc/95/31/28/563953128.db2.gz NDFIMPXBLOWDEE-UHFFFAOYSA-N 0 0 323.421 4.085 50 0 DIAARN Cc1ccsc1CN(C)c1ncnc2c3ccccc3oc21 ZINC000069573228 563953650 /nfs/dbraw/zinc/95/36/50/563953650.db2.gz BQHMHRDVACFRFY-UHFFFAOYSA-N 0 0 309.394 4.382 50 0 DIAARN O=C(C[C@@H]1C=CCC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009155922 563953729 /nfs/dbraw/zinc/95/37/29/563953729.db2.gz JKGXNPJKDJRKBW-ACJLOTCBSA-N 0 0 315.413 4.449 50 0 DIAARN CCCCOc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 ZINC000009190791 563953905 /nfs/dbraw/zinc/95/39/05/563953905.db2.gz ZKWCSTMEEFQKRY-UHFFFAOYSA-N 0 0 304.415 4.191 50 0 DIAARN CSc1nnc(CN[C@H](c2ccccc2)C2CCCC2)s1 ZINC000069622544 563953912 /nfs/dbraw/zinc/95/39/12/563953912.db2.gz YLEHGSMKEWWFEF-OAHLLOKOSA-N 0 0 319.499 4.281 50 0 DIAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc2ccccc21 ZINC000069738682 563954297 /nfs/dbraw/zinc/95/42/97/563954297.db2.gz XDSUANQVDATQPX-UHFFFAOYSA-N 0 0 307.397 4.486 50 0 DIAARN Cc1cc(N[C@@H](C)c2ccc3c(c2)OCO3)nc2ccccc12 ZINC000069740261 563954306 /nfs/dbraw/zinc/95/43/06/563954306.db2.gz MFHMBSRMUZMMMU-ZDUSSCGKSA-N 0 0 306.365 4.445 50 0 DIAARN Cc1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)on1 ZINC000069739347 563954381 /nfs/dbraw/zinc/95/43/81/563954381.db2.gz WLLGEUREYVAYOV-UHFFFAOYSA-N 0 0 312.300 4.167 50 0 DIAARN Clc1ccccc1-c1nnc2ccc(Nc3ccccc3)nn21 ZINC000009304725 563954794 /nfs/dbraw/zinc/95/47/94/563954794.db2.gz BPYJOMXBDKFPLK-UHFFFAOYSA-N 0 0 321.771 4.188 50 0 DIAARN C[C@@H](c1cccnc1)N(C)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000069848921 563954990 /nfs/dbraw/zinc/95/49/90/563954990.db2.gz PFGVITSCNSIOBD-HNAYVOBHSA-N 0 0 323.440 4.325 50 0 DIAARN CCCCn1nc(NC(=O)C(C)C)c2cc3ccc(C)cc3nc21 ZINC000009359238 563955437 /nfs/dbraw/zinc/95/54/37/563955437.db2.gz UAOFJZCFSSCPQQ-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1nccs1 ZINC000070037212 563955774 /nfs/dbraw/zinc/95/57/74/563955774.db2.gz HUSOGHVWRXKRAX-UHFFFAOYSA-N 0 0 316.426 4.131 50 0 DIAARN Cc1nc(SCc2nnc(-c3cccc(Cl)c3)o2)oc1C ZINC000070037813 563955788 /nfs/dbraw/zinc/95/57/88/563955788.db2.gz VBYJCPSRBXUICV-UHFFFAOYSA-N 0 0 321.789 4.287 50 0 DIAARN O=C(Nc1nc(-c2cccs2)cs1)[C@H]1C[C@@H]1c1ccco1 ZINC000070014793 563955880 /nfs/dbraw/zinc/95/58/80/563955880.db2.gz CDAFCLNMLYKGOO-UWVGGRQHSA-N 0 0 316.407 4.207 50 0 DIAARN O=C(Nc1cccc2cccnc21)c1cc(-c2ccccc2)on1 ZINC000009450487 563956037 /nfs/dbraw/zinc/95/60/37/563956037.db2.gz QOHMOWJKVFOVGM-UHFFFAOYSA-N 0 0 315.332 4.142 50 0 DIAARN CCc1cccc(CC)c1NC(=O)c1cccc(NC(C)=O)c1 ZINC000009479377 563956163 /nfs/dbraw/zinc/95/61/63/563956163.db2.gz XKIPMNVLAISRMS-UHFFFAOYSA-N 0 0 310.397 4.022 50 0 DIAARN CC(=O)Nc1ccc(SCCOc2cccc(Cl)c2)cc1 ZINC000009466232 563956241 /nfs/dbraw/zinc/95/62/41/563956241.db2.gz FPEHIXBGBSVSCB-UHFFFAOYSA-N 0 0 321.829 4.470 50 0 DIAARN Cc1cccc(-c2nc(CC(=O)Nc3ccccc3O)cs2)c1 ZINC000009499005 563956433 /nfs/dbraw/zinc/95/64/33/563956433.db2.gz VJHXQVHKYSAYKH-UHFFFAOYSA-N 0 0 324.405 4.005 50 0 DIAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(CC)cc1 ZINC000009528132 563956668 /nfs/dbraw/zinc/95/66/68/563956668.db2.gz HBLUTJMAPCFZTD-GOSISDBHSA-N 0 0 311.429 4.439 50 0 DIAARN Cc1ccc2nc3sc(C(=O)N4CCCCC4)cc3cc2c1 ZINC000009528689 563956717 /nfs/dbraw/zinc/95/67/17/563956717.db2.gz BPCNKZYTBHYCPQ-UHFFFAOYSA-N 0 0 310.422 4.384 50 0 DIAARN Cc1ccc2n1CCN(C(=O)Nc1ccccc1C)[C@H]2C(C)C ZINC000009528340 563956806 /nfs/dbraw/zinc/95/68/06/563956806.db2.gz HBGDYNVUHGOTAB-SFHVURJKSA-N 0 0 311.429 4.350 50 0 DIAARN CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000009528257 563956836 /nfs/dbraw/zinc/95/68/36/563956836.db2.gz SHMLFLAWISXSFI-INIZCTEOSA-N 0 0 317.820 4.386 50 0 DIAARN CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1 ZINC000009578087 563956986 /nfs/dbraw/zinc/95/69/86/563956986.db2.gz YCBYWTZPYSPKNT-UHFFFAOYSA-N 0 0 305.453 4.359 50 0 DIAARN Cc1ccccc1-n1cnc2cc(NCc3ccccn3)ccc21 ZINC000009594751 563957197 /nfs/dbraw/zinc/95/71/97/563957197.db2.gz NPVABRJDMKBASM-UHFFFAOYSA-N 0 0 314.392 4.341 50 0 DIAARN O=C(Nc1noc2ccccc21)c1ccc(Cl)cc1Cl ZINC000009667581 563957312 /nfs/dbraw/zinc/95/73/12/563957312.db2.gz SXUFNHIFGRLVGN-UHFFFAOYSA-N 0 0 307.136 4.387 50 0 DIAARN CC(=O)Nc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000009690209 563957355 /nfs/dbraw/zinc/95/73/55/563957355.db2.gz PVIBAWOCUOKQCW-UHFFFAOYSA-N 0 0 316.788 4.168 50 0 DIAARN Cc1ccc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000009711030 563957428 /nfs/dbraw/zinc/95/74/28/563957428.db2.gz HKNWYGRSELNIQT-CQSZACIVSA-N 0 0 308.381 4.302 50 0 DIAARN Cc1ccccc1Cn1cccc1CNC(=O)Nc1ccccc1 ZINC000009723955 563957548 /nfs/dbraw/zinc/95/75/48/563957548.db2.gz MXHSZUSTRBTQNV-UHFFFAOYSA-N 0 0 319.408 4.167 50 0 DIAARN CC[C@@]1(C)Cc2ccccc2-c2nc(SC(C)C)[nH]c(=O)c21 ZINC000009692019 563957579 /nfs/dbraw/zinc/95/75/79/563957579.db2.gz RYDFVMMMYFSBEA-SFHVURJKSA-N 0 0 314.454 4.161 50 0 DIAARN COc1ccccc1CNC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000009710861 563957597 /nfs/dbraw/zinc/95/75/97/563957597.db2.gz RKVQCLJBEDEKHG-ZDUSSCGKSA-N 0 0 324.380 4.002 50 0 DIAARN CC(C)(C)c1nc2cc(NC(=O)c3ccccc3F)ccc2[nH]1 ZINC000071280720 563957993 /nfs/dbraw/zinc/95/79/93/563957993.db2.gz ARQSCNQLWVSLKN-UHFFFAOYSA-N 0 0 311.360 4.252 50 0 DIAARN O=C(Nc1ccc(-c2nccs2)cc1)c1c(F)cccc1F ZINC000009950104 563958041 /nfs/dbraw/zinc/95/80/41/563958041.db2.gz YPDKYESMWPWXIG-UHFFFAOYSA-N 0 0 316.332 4.341 50 0 DIAARN Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1F ZINC000010257737 563958438 /nfs/dbraw/zinc/95/84/38/563958438.db2.gz ZESZELMRMQWSNE-UHFFFAOYSA-N 0 0 315.373 4.066 50 0 DIAARN Cn1c2ccccc2nc1[C@@H](NCc1ccco1)c1ccccc1 ZINC000071792619 563958494 /nfs/dbraw/zinc/95/84/94/563958494.db2.gz HEGUEMNSTXOVNC-IBGZPJMESA-N 0 0 317.392 4.046 50 0 DIAARN O=C(Nc1cccc2[nH]ccc21)N(Cc1cccs1)C1CC1 ZINC000071803387 563958786 /nfs/dbraw/zinc/95/87/86/563958786.db2.gz ZQKFFKFFEUJCCT-UHFFFAOYSA-N 0 0 311.410 4.426 50 0 DIAARN CC[C@@H](C[NH2+]Cc1c(Cl)n(C)nc1C(C)C)c1ccccc1 ZINC000071809763 563958878 /nfs/dbraw/zinc/95/88/78/563958878.db2.gz ZJFGNYCUGGYHFM-AWEZNQCLSA-N 0 0 319.880 4.480 50 0 DIAARN Cc1ccccc1CC(=O)O[C@@H](c1ccccc1)c1ccccn1 ZINC000071834001 563959023 /nfs/dbraw/zinc/95/90/23/563959023.db2.gz AKGJLVSFQRHZDA-NRFANRHFSA-N 0 0 317.388 4.265 50 0 DIAARN CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000078040296 563960968 /nfs/dbraw/zinc/96/09/68/563960968.db2.gz IYDRQQWEPNPRHL-UHFFFAOYSA-N 0 0 310.328 4.147 50 0 DIAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)c(C)c1 ZINC000077893044 563961025 /nfs/dbraw/zinc/96/10/25/563961025.db2.gz USDFMIBZMDWORN-UHFFFAOYSA-N 0 0 309.394 4.074 50 0 DIAARN Cc1nc(CS[C@@H](C)C(=O)Nc2cc(F)ccc2C)cs1 ZINC000078555828 563961213 /nfs/dbraw/zinc/96/12/13/563961213.db2.gz NIRVSTYVWVYNGD-JTQLQIEISA-N 0 0 324.446 4.159 50 0 DIAARN COc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccccc3)cc2c1 ZINC000025765115 568412720 /nfs/dbraw/zinc/41/27/20/568412720.db2.gz YHZWMWZCNOEIEW-CYBMUJFWSA-N 0 0 320.392 4.043 50 0 DIAARN ON1c2cc(Cl)c(Cl)cc2NN=C1c1ccc(F)cc1 ZINC000025759161 568412808 /nfs/dbraw/zinc/41/28/08/568412808.db2.gz ZTCMHLVLLVMRIV-UHFFFAOYSA-N 0 0 312.131 4.115 50 0 DIAARN CCOc1ccccc1-c1nc2c(C)[nH]n([C@H](C)C3CC3)c-2n1 ZINC000048063492 568413108 /nfs/dbraw/zinc/41/31/08/568413108.db2.gz FBNCVPYESVCBRA-GFCCVEGCSA-N 0 0 310.401 4.105 50 0 DIAARN Cc1nn2c(nc(C)cc2C2CCCCC2)c1Br ZINC000066339884 568413332 /nfs/dbraw/zinc/41/33/32/568413332.db2.gz VWKBWKCAVZAANT-UHFFFAOYSA-N 0 0 308.223 4.156 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2nc1N ZINC000252498554 568413666 /nfs/dbraw/zinc/41/36/66/568413666.db2.gz REOHDTPPTIJDAD-UHFFFAOYSA-N 0 0 311.772 4.031 50 0 DIAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NC(=S)N2)cc1 ZINC000051329827 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Clc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055542942 1046433970 /nfs/dbraw/zinc/43/39/70/1046433970.db2.gz VLKVUUJCXRPOCU-UHFFFAOYSA-N 0 0 321.251 4.316 50 0 DIAARN COc1ccccc1Oc1ccc(NC(=O)c2cccn2C)cc1 ZINC000248146277 1046565233 /nfs/dbraw/zinc/56/52/33/1046565233.db2.gz XCHLQZRNNFQSAJ-UHFFFAOYSA-N 0 0 322.364 4.078 50 0 DIAARN CCc1nc(C)c([C@H](C)N(C)Cc2ccccc2OC)s1 ZINC000093612581 1046634588 /nfs/dbraw/zinc/63/45/88/1046634588.db2.gz CHYIXMQTIMZNMO-ZDUSSCGKSA-N 0 0 304.459 4.216 50 0 DIAARN CN1CCCc2c(c3cc(F)ccc3n2Cc2ccccc2)C1 ZINC000075567355 1046925135 /nfs/dbraw/zinc/92/51/35/1046925135.db2.gz WFFOIBGRMPMBJX-UHFFFAOYSA-N 0 0 308.400 4.207 50 0 DIAARN CCCN1C(=O)c2ccccc2N[C@H]1/C=C\c1ccccc1OC ZINC000096794973 1046946342 /nfs/dbraw/zinc/94/63/42/1046946342.db2.gz NOWMJQJILTVONW-SYGIOELKSA-N 0 0 322.408 4.012 50 0 DIAARN CC[C@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 ZINC000264078554 1047016141 /nfs/dbraw/zinc/01/61/41/1047016141.db2.gz PSFFFKHOHUWXQX-QGZVFWFLSA-N 0 0 308.425 4.157 50 0 DIAARN CN1C(=O)/C(=C/c2ccc(Br)s2)c2ccccc21 ZINC000097990727 1047113984 /nfs/dbraw/zinc/11/39/84/1047113984.db2.gz LWABRPSFMJIQOE-DHZHZOJOSA-N 0 0 320.211 4.028 50 0 DIAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N(C)Cc2cccs2)o1 ZINC000254445774 1047210483 /nfs/dbraw/zinc/21/04/83/1047210483.db2.gz UCDYKRXXPNDNKT-BALYKDRCSA-N 0 0 301.411 4.136 50 0 DIAARN CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000254489262 1047217975 /nfs/dbraw/zinc/21/79/75/1047217975.db2.gz DYYKPWGSRVAGNS-UHFFFAOYSA-N 0 0 303.287 4.413 50 0 DIAARN Fc1ccc(NN=Cc2ccccc2Br)c(F)c1 ZINC000254742381 1047239463 /nfs/dbraw/zinc/23/94/63/1047239463.db2.gz XDLHHMNRQMLXJU-UHFFFAOYSA-N 0 0 311.129 4.173 50 0 DIAARN Fc1ccc(NN=Cc2cccc(Br)c2)c(F)c1 ZINC000254819928 1047246478 /nfs/dbraw/zinc/24/64/78/1047246478.db2.gz OGWMZRCWCJWBLL-UHFFFAOYSA-N 0 0 311.129 4.173 50 0 DIAARN Cc1ccc(CN=Nc2ncnc3sc(C)c(C)c32)s1 ZINC000254835073 1047251534 /nfs/dbraw/zinc/25/15/34/1047251534.db2.gz RUIQWAOANIHZQL-UHFFFAOYSA-N 0 0 302.428 4.124 50 0 DIAARN COc1ccc(O)c(-c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000000074327 1047275191 /nfs/dbraw/zinc/27/51/91/1047275191.db2.gz BZDJTXBHNTYSIP-UHFFFAOYSA-N 0 0 300.745 4.111 50 0 DIAARN CC(C)Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)s1 ZINC000000286532 1047317537 /nfs/dbraw/zinc/31/75/37/1047317537.db2.gz FZHRDBGTAQRXCY-LFIBNONCSA-N 0 0 311.406 4.291 50 0 DIAARN Cc1cccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)c1O ZINC000000312760 1047319539 /nfs/dbraw/zinc/31/95/39/1047319539.db2.gz GVXZKBWYNJENTC-LJQANCHMSA-N 0 0 323.436 4.235 50 0 DIAARN CC(=O)c1ccc(-c2nc3c4ccccc4ccn3c2C(C)=O)o1 ZINC000000434632 1047340520 /nfs/dbraw/zinc/34/05/20/1047340520.db2.gz RLVXSLRIIAXFQH-UHFFFAOYSA-N 0 0 318.332 4.153 50 0 DIAARN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)sc1-c1ccccc1 ZINC000001053801 1047403541 /nfs/dbraw/zinc/40/35/41/1047403541.db2.gz NWHQRCUJWFNEGW-HIFRSBDPSA-N 0 0 315.438 4.021 50 0 DIAARN CCOC(=O)/C=C/c1ccc(NCc2ccc(F)cc2F)cc1 ZINC000095964596 1047589195 /nfs/dbraw/zinc/58/91/95/1047589195.db2.gz JVKMPPOALPVQHH-BJMVGYQFSA-N 0 0 317.335 4.153 50 0 DIAARN O=C(/C=C\c1ccco1)Oc1ccccc1Cc1ccccc1 ZINC000033590648 1047609611 /nfs/dbraw/zinc/60/96/11/1047609611.db2.gz RMTSDUGVJWQDMA-SEYXRHQNSA-N 0 0 304.345 4.489 50 0 DIAARN C[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1F ZINC000096578120 1047645805 /nfs/dbraw/zinc/64/58/05/1047645805.db2.gz FOUAWMLHGCTKHQ-KGTBHZDVSA-N 0 0 303.764 4.370 50 0 DIAARN CCSc1ccccc1NC(=O)c1ccc(C(C)=O)s1 ZINC000048656172 1048039495 /nfs/dbraw/zinc/03/94/95/1048039495.db2.gz KASRKHMWISXVAT-UHFFFAOYSA-N 0 0 305.424 4.315 50 0 DIAARN CC[C@H]1CN(C(=O)Nc2ccc(F)cc2)c2ccccc2O1 ZINC000006845105 1048264133 /nfs/dbraw/zinc/26/41/33/1048264133.db2.gz YCGPGEFBDWSGGL-AWEZNQCLSA-N 0 0 300.333 4.035 50 0 DIAARN CC[C@H](C)c1ccc(Nc2nc(C)c(C(=O)N(C)C)s2)cc1 ZINC000006910798 1048502567 /nfs/dbraw/zinc/50/25/67/1048502567.db2.gz HEYOCKLILOLLPT-NSHDSACASA-N 0 0 317.458 4.410 50 0 DIAARN CCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)cn1CC ZINC000065170481 1048535943 /nfs/dbraw/zinc/53/59/43/1048535943.db2.gz LZHGXVTZPJWPAR-UHFFFAOYSA-N 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1052919674 /nfs/dbraw/zinc/91/96/74/1052919674.db2.gz FJTVEODKIUDWGG-WCQYABFASA-N 0 0 321.446 4.133 50 0 DIAARN C[C@@H](C(=O)Nc1ccccc1Nc1ccccc1)C1CCOCC1 ZINC000180806876 1053092178 /nfs/dbraw/zinc/09/21/78/1053092178.db2.gz XHUFEOLFILWVQF-OAHLLOKOSA-N 0 0 324.424 4.431 50 0 DIAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 ZINC000007884830 1053135241 /nfs/dbraw/zinc/13/52/41/1053135241.db2.gz AIIYZRBVJSDTIQ-IBGZPJMESA-N 0 0 315.376 4.161 50 0 DIAARN CCC1(C(=O)NCc2nc(C(F)(F)F)cs2)CCCCC1 ZINC000184118946 1053963433 /nfs/dbraw/zinc/96/34/33/1053963433.db2.gz KFXBDRRTVAUTHP-UHFFFAOYSA-N 0 0 320.380 4.139 50 0 DIAARN Cc1oc(C(C)C)cc1C(=O)N(C)[C@@H]1CCCc2cccnc21 ZINC000367676491 1054672833 /nfs/dbraw/zinc/67/28/33/1054672833.db2.gz WRPKOGOATNUDSG-MRXNPFEDSA-N 0 0 312.413 4.256 50 0 DIAARN OCCSc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000008326992 1055143548 /nfs/dbraw/zinc/14/35/48/1055143548.db2.gz ZQKTZQWECHGPCT-UHFFFAOYSA-N 0 0 322.842 4.096 50 0 DIAARN c1cc(-c2nc3ccccc3[nH]2)oc1-c1nc2ccccc2[nH]1 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/nfs/dbraw/zinc/70/23/33/180702333.db2.gz VAPWOHIHNHWHOO-UHFFFAOYSA-N 0 0 304.187 4.318 50 0 DIAARN CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000132506 180704081 /nfs/dbraw/zinc/70/40/81/180704081.db2.gz MQHLVDMDFXGTRF-UHFFFAOYSA-N 0 0 318.804 4.098 50 0 DIAARN CC(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1 ZINC000000133508 180704173 /nfs/dbraw/zinc/70/41/73/180704173.db2.gz ZECWYEQMDQJGPN-UHFFFAOYSA-N 0 0 311.381 4.030 50 0 DIAARN CCOc1ccccc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000000145605 180707739 /nfs/dbraw/zinc/70/77/39/180707739.db2.gz WWSOROONDXPRIT-UHFFFAOYSA-N 0 0 321.376 4.256 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1 ZINC000000146628 180708321 /nfs/dbraw/zinc/70/83/21/180708321.db2.gz LKGYDHJSMKOYMG-INIZCTEOSA-N 0 0 303.814 4.427 50 0 DIAARN O=C(c1ccc(C(F)(F)F)cc1)n1ccc(-c2cccs2)n1 ZINC000000156411 180711266 /nfs/dbraw/zinc/71/12/66/180711266.db2.gz ZPDMKGBIRJXIOU-UHFFFAOYSA-N 0 0 322.311 4.319 50 0 DIAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1/C=C/c1ccccc1 ZINC000000194801 180721851 /nfs/dbraw/zinc/72/18/51/180721851.db2.gz JDCIBUHMPXHPAP-LPQFERQCSA-N 0 0 312.409 4.171 50 0 biogenic DIAARN COc1ccc(-c2noc(COc3cc(C)cc(C)c3C)n2)cc1 ZINC000000199802 180722651 /nfs/dbraw/zinc/72/26/51/180722651.db2.gz OEFRSPPTJTYWJS-UHFFFAOYSA-N 0 0 324.380 4.249 50 0 DIAARN CCN(C(=O)c1ccccc1Br)c1ccccc1C ZINC000000258588 180740024 /nfs/dbraw/zinc/74/00/24/180740024.db2.gz MCSDPLCLZNQQDP-UHFFFAOYSA-N 0 0 318.214 4.424 50 0 DIAARN COc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000000276142 180745153 /nfs/dbraw/zinc/74/51/53/180745153.db2.gz MVBSBKDTPQFXQS-UHFFFAOYSA-N 0 0 313.740 4.116 50 0 DIAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000286710 180748066 /nfs/dbraw/zinc/74/80/66/180748066.db2.gz STZJGGHHJOPDIT-UHFFFAOYSA-N 0 0 318.760 4.161 50 0 DIAARN COc1cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1O ZINC000000305464 180753857 /nfs/dbraw/zinc/75/38/57/180753857.db2.gz HIQGZUBJAMRJLB-INIZCTEOSA-N 0 0 319.360 4.028 50 0 DIAARN CC(C)C[C@@H](C(=O)[O-])[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000342967 180761971 /nfs/dbraw/zinc/76/19/71/180761971.db2.gz FSACAIPYCHIDCK-IBGZPJMESA-N 0 0 311.425 4.188 50 0 DIAARN Oc1cccc(Nc2nc3ccccc3c(N3CCCCC3)n2)c1 ZINC000000383024 180772747 /nfs/dbraw/zinc/77/27/47/180772747.db2.gz DZCMDSSGGIJTLI-UHFFFAOYSA-N 0 0 320.396 4.069 50 0 DIAARN Cc1cc(C)cc(OC(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000000384941 180773412 /nfs/dbraw/zinc/77/34/12/180773412.db2.gz JYYWPDDLKJAJHY-UHFFFAOYSA-N 0 0 314.143 4.364 50 0 DIAARN Cc1nc(Cl)sc1C(=O)Oc1ccc2ccccc2c1 ZINC000000385416 180773850 /nfs/dbraw/zinc/77/38/50/180773850.db2.gz IHDXLUBKRSJQBI-UHFFFAOYSA-N 0 0 303.770 4.477 50 0 DIAARN O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccncc1 ZINC000000348352 180763242 /nfs/dbraw/zinc/76/32/42/180763242.db2.gz ZVQMOTRJOYBMEL-UHFFFAOYSA-N 0 0 300.667 4.006 50 0 DIAARN CCCc1nnc(NC(=O)c2oc3ccc(C)cc3c2C)s1 ZINC000000352994 180764660 /nfs/dbraw/zinc/76/46/60/180764660.db2.gz WUKDWZPHPSJMPU-UHFFFAOYSA-N 0 0 315.398 4.106 50 0 DIAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc3cccnc32)c(C)c1 ZINC000000364848 180767426 /nfs/dbraw/zinc/76/74/26/180767426.db2.gz HEZCTCKMWQGMON-OAHLLOKOSA-N 0 0 320.392 4.258 50 0 DIAARN CCOc1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000000363877 180767469 /nfs/dbraw/zinc/76/74/69/180767469.db2.gz RHAFDINHMSMJJS-UHFFFAOYSA-N 0 0 305.377 4.420 50 0 DIAARN COc1ccc2cc(Br)ccc2c1Br ZINC000000393353 180775785 /nfs/dbraw/zinc/77/57/85/180775785.db2.gz HFEOLDKRKNUVAD-UHFFFAOYSA-N 0 0 315.992 4.373 50 0 DIAARN Cc1ccc(NC(=O)OCc2ccc3c(c2)OCO3)cc1Cl ZINC000000395244 180776646 /nfs/dbraw/zinc/77/66/46/180776646.db2.gz YFHMVVDKWMADAS-UHFFFAOYSA-N 0 0 319.744 4.126 50 0 DIAARN Cc1ccc2cc3cc(C(=O)NC4CCCCC4)oc3nc2c1 ZINC000000428967 180787730 /nfs/dbraw/zinc/78/77/30/180787730.db2.gz KKRLYWYTAKGTNX-UHFFFAOYSA-N 0 0 308.381 4.352 50 0 DIAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccc(F)cc1 ZINC000000430407 180788288 /nfs/dbraw/zinc/78/82/88/180788288.db2.gz PIABCYMZJPUREH-LDADJPATSA-N 0 0 317.319 4.323 50 0 DIAARN O=C1OC(c2cccs2)=N/C1=C/c1cccc2ccccc12 ZINC000000430299 180788704 /nfs/dbraw/zinc/78/87/04/180788704.db2.gz GJINBAHUILRXAY-RVDMUPIBSA-N 0 0 305.358 4.246 50 0 DIAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000434461 180789783 /nfs/dbraw/zinc/78/97/83/180789783.db2.gz MQZZHFJGRVNLHJ-CYBMUJFWSA-N 0 0 310.397 4.411 50 0 DIAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(C)c1 ZINC000000437405 180790365 /nfs/dbraw/zinc/79/03/65/180790365.db2.gz DMQIERNYQKWQIL-UHFFFAOYSA-N 0 0 317.410 4.102 50 0 DIAARN O=C1CS[C@H](c2ccccc2C(F)(F)F)N1c1ccccc1 ZINC000000423970 180785002 /nfs/dbraw/zinc/78/50/02/180785002.db2.gz OFILVTOZMOYNDG-OAHLLOKOSA-N 0 0 323.339 4.484 50 0 DIAARN CCc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000000455326 180796490 /nfs/dbraw/zinc/79/64/90/180796490.db2.gz CKSQMSOEGWADFD-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN COc1ccc(NC(=O)CCCc2ccccc2)cc1Cl ZINC000000458263 180797377 /nfs/dbraw/zinc/79/73/77/180797377.db2.gz HWVATXGWOYYHGV-UHFFFAOYSA-N 0 0 303.789 4.310 50 0 DIAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000000462913 180798486 /nfs/dbraw/zinc/79/84/86/180798486.db2.gz YTVYYRPMZRVXPN-UHFFFAOYSA-N 0 0 300.789 4.193 50 0 DIAARN Cc1ccc(CC(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000000465571 180799282 /nfs/dbraw/zinc/79/92/82/180799282.db2.gz RAWBOVYRTDSPNA-UHFFFAOYSA-N 0 0 316.404 4.166 50 0 DIAARN Cc1cc(O[C@H](C)C(=O)Oc2ccc(F)cc2)ccc1Cl ZINC000000464918 180799607 /nfs/dbraw/zinc/79/96/07/180799607.db2.gz JZLGSWIDSYFOJJ-LLVKDONJSA-N 0 0 308.736 4.160 50 0 DIAARN Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000000443453 180792513 /nfs/dbraw/zinc/79/25/13/180792513.db2.gz BEVIYZKEQQAYBU-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN Cc1ccccc1-c1noc([C@H](C)Oc2cccc(F)c2F)n1 ZINC000072920428 191251490 /nfs/dbraw/zinc/25/14/90/191251490.db2.gz HUPSQLOTJDUHSB-NSHDSACASA-N 0 0 316.307 4.463 50 0 DIAARN CC(C)(C)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000000445753 180793895 /nfs/dbraw/zinc/79/38/95/180793895.db2.gz IGIOBCVQKKGSEY-BOPFTXTBSA-N 0 0 323.367 4.468 50 0 DIAARN Cc1ccccc1-c1noc(-c2cccc(Br)c2)n1 ZINC000000446001 180793962 /nfs/dbraw/zinc/79/39/62/180793962.db2.gz HCVRRIQRXXCPPJ-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN Cc1ccc(O)c(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000000450658 180794951 /nfs/dbraw/zinc/79/49/51/180794951.db2.gz MOPQTZISXBUBDO-UHFFFAOYSA-N 0 0 321.829 4.226 50 0 DIAARN C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000000449987 180795077 /nfs/dbraw/zinc/79/50/77/180795077.db2.gz CULYPKRNCUJVMB-ZDUSSCGKSA-N 0 0 319.857 4.451 50 0 DIAARN Cc1cccc(C)c1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000000453829 180796018 /nfs/dbraw/zinc/79/60/18/180796018.db2.gz UNZZDIBHWLBSAN-UHFFFAOYSA-N 0 0 324.405 4.176 50 0 DIAARN OCc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000000470567 180801201 /nfs/dbraw/zinc/80/12/01/180801201.db2.gz IVGVURVNSHFYQH-UHFFFAOYSA-N 0 0 301.144 4.204 50 0 DIAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ccccc2s1 ZINC000000470399 180801206 /nfs/dbraw/zinc/80/12/06/180801206.db2.gz SSNVUWOKBCGXIR-VXGBXAGGSA-N 0 0 320.483 4.083 50 0 DIAARN O=C(CSCc1cccc(Cl)c1)Nc1cccc(F)c1 ZINC000000473219 180802024 /nfs/dbraw/zinc/80/20/24/180802024.db2.gz KACAZPLFXJSICG-UHFFFAOYSA-N 0 0 309.793 4.351 50 0 DIAARN COc1ccc(CCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000473383 180802178 /nfs/dbraw/zinc/80/21/78/180802178.db2.gz RPCMNQHQSTXYOJ-UHFFFAOYSA-N 0 0 303.789 4.228 50 0 DIAARN COc1ccc2c(c1)CC/C(=C/C=C/c1ccccc1OC)C2=O ZINC000000480562 180804307 /nfs/dbraw/zinc/80/43/07/180804307.db2.gz QNWDCJDPNUAPFW-PXFWCYKISA-N 0 0 320.388 4.473 50 0 DIAARN O=C(COc1ccc(Cl)cc1Cl)NC1CCCCCC1 ZINC000000482657 180804527 /nfs/dbraw/zinc/80/45/27/180804527.db2.gz UUKUUWMKGBUJEJ-UHFFFAOYSA-N 0 0 316.228 4.211 50 0 DIAARN Clc1ccccc1[C@@H]1C[C@H](c2cccs2)n2ncnc2N1 ZINC000000530486 180814651 /nfs/dbraw/zinc/81/46/51/180814651.db2.gz GMZAUXLFGIMIRB-QWHCGFSZSA-N 0 0 316.817 4.139 50 0 DIAARN COc1ccc(O[C@@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000000514488 180810566 /nfs/dbraw/zinc/81/05/66/180810566.db2.gz FKNAMRRWWCGHPX-ZDUSSCGKSA-N 0 0 310.353 4.194 50 0 DIAARN O=C(C[C@@H](Cc1ccccc1)c1ccco1)NC1CCCCC1 ZINC000000521568 180812534 /nfs/dbraw/zinc/81/25/34/180812534.db2.gz WHIGIKAAMNRNEB-QGZVFWFLSA-N 0 0 311.425 4.445 50 0 DIAARN O=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@@H]1Cc1ccco1 ZINC000000550936 180819698 /nfs/dbraw/zinc/81/96/98/180819698.db2.gz KXEYICQCKZUATP-NYQNCTAXSA-N 0 0 309.409 4.211 50 0 DIAARN CCSc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 ZINC000000611398 180828550 /nfs/dbraw/zinc/82/85/50/180828550.db2.gz ZCJWUGRQJLIFJR-UHFFFAOYSA-N 0 0 314.410 4.009 50 0 DIAARN CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000557984 180821720 /nfs/dbraw/zinc/82/17/20/180821720.db2.gz GXWLCDYMQQUOBM-UHFFFAOYSA-N 0 0 314.351 4.290 50 0 DIAARN CC(=O)Nc1cccc(-c2csc(Nc3ncccc3C)n2)c1 ZINC000000813398 180834540 /nfs/dbraw/zinc/83/45/40/180834540.db2.gz UAYLLECBLYMAKE-UHFFFAOYSA-N 0 0 324.409 4.216 50 0 DIAARN COc1ccccc1[C@@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21 ZINC000000818052 180835120 /nfs/dbraw/zinc/83/51/20/180835120.db2.gz GPYXHIADJFPFMM-HXUWFJFHSA-N 0 0 319.408 4.456 50 0 DIAARN COc1cc(OC)c(NC(=O)CC2CCCCC2)cc1Cl ZINC000000858712 180835946 /nfs/dbraw/zinc/83/59/46/180835946.db2.gz LFTIGVVBVTULIV-UHFFFAOYSA-N 0 0 311.809 4.266 50 0 DIAARN COc1cccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000000620307 180831504 /nfs/dbraw/zinc/83/15/04/180831504.db2.gz RBXGTEUGWCLGFT-CQSZACIVSA-N 0 0 305.377 4.339 50 0 DIAARN Cc1cccnc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000997249 180840103 /nfs/dbraw/zinc/84/01/03/180840103.db2.gz ZLQKQXUVVJEOBM-UHFFFAOYSA-N 0 0 316.360 4.266 50 0 DIAARN Cc1ccc(C)c(-c2cc(C(=O)NC3CC3)c3ccccc3n2)c1 ZINC000001002384 180840810 /nfs/dbraw/zinc/84/08/10/180840810.db2.gz KFPHMLWOIGVYAU-UHFFFAOYSA-N 0 0 316.404 4.411 50 0 DIAARN COc1ccccc1Oc1ncnc2sc3c(c21)CCCC3 ZINC000001098268 180846600 /nfs/dbraw/zinc/84/66/00/180846600.db2.gz YDCKOLBKMYSQTP-UHFFFAOYSA-N 0 0 312.394 4.371 50 0 DIAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000001094088 180846868 /nfs/dbraw/zinc/84/68/68/180846868.db2.gz HHHBNOIZYGWIGA-UHFFFAOYSA-N 0 0 306.287 4.300 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000001206715 180849250 /nfs/dbraw/zinc/84/92/50/180849250.db2.gz WSWRXGRWRLUPBD-UHFFFAOYSA-N 0 0 308.164 4.448 50 0 DIAARN Cc1ccccc1NC(=O)Nc1nnc(-c2cccs2)s1 ZINC000001246911 180851011 /nfs/dbraw/zinc/85/10/11/180851011.db2.gz XYVZNNUMPJHZAU-UHFFFAOYSA-N 0 0 316.411 4.219 50 0 DIAARN CCCn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc21 ZINC000001283313 180852698 /nfs/dbraw/zinc/85/26/98/180852698.db2.gz QKFHQGJMBUXWDZ-UHFFFAOYSA-N 0 0 324.428 4.288 50 0 DIAARN COc1ccc(NC(=O)c2c3ccccc3n(C)c2Cl)cc1 ZINC000001389592 180858943 /nfs/dbraw/zinc/85/89/43/180858943.db2.gz MIQHZDDIKACMHJ-UHFFFAOYSA-N 0 0 314.772 4.093 50 0 DIAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1=Cc2ccccc2OC1 ZINC000001391525 180859655 /nfs/dbraw/zinc/85/96/55/180859655.db2.gz RZKJJJGXPVYJKY-UHFFFAOYSA-N 0 0 320.175 4.408 50 0 DIAARN COc1cccc(CSc2nc3ccccc3cc2C=O)c1 ZINC000001394778 180859988 /nfs/dbraw/zinc/85/99/88/180859988.db2.gz JJUNZYHVXKDSPW-UHFFFAOYSA-N 0 0 309.390 4.348 50 0 DIAARN C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001456749 180867964 /nfs/dbraw/zinc/86/79/64/180867964.db2.gz VOYJZLPXBVTSMF-OXJNMPFZSA-N 0 0 323.436 4.427 50 0 DIAARN O=C(Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000001599381 180877584 /nfs/dbraw/zinc/87/75/84/180877584.db2.gz WKBFRYPEBOWXGM-UHFFFAOYSA-N 0 0 307.391 4.302 50 0 DIAARN O=C1OC(c2ccccc2)(c2ccccc2)Cc2ccccc21 ZINC000001632665 180881795 /nfs/dbraw/zinc/88/17/95/180881795.db2.gz OXKYDSBSPQCICV-UHFFFAOYSA-N 0 0 300.357 4.343 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)Oc1ccc(C(C)=O)cc1 ZINC000001741786 180893387 /nfs/dbraw/zinc/89/33/87/180893387.db2.gz IFLRSMUSCDDEHW-UHFFFAOYSA-N 0 0 319.744 4.162 50 0 DIAARN COc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000001773582 180895366 /nfs/dbraw/zinc/89/53/66/180895366.db2.gz BZALHHNQRPZLLN-UHFFFAOYSA-N 0 0 319.788 4.146 50 0 DIAARN Cc1ccc(C)c(OCCCC(=O)NC2CCCCCC2)c1 ZINC000001779297 180895700 /nfs/dbraw/zinc/89/57/00/180895700.db2.gz WBOYHTSSVJQINE-UHFFFAOYSA-N 0 0 303.446 4.301 50 0 DIAARN Cc1cccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)c1C ZINC000001827328 180897589 /nfs/dbraw/zinc/89/75/89/180897589.db2.gz CQWYOQVERMSPIX-SGTLLEGYSA-N 0 0 317.502 4.045 50 0 DIAARN CCc1ccccc1NC(=O)CCCOc1ccccc1OC ZINC000001892975 180900561 /nfs/dbraw/zinc/90/05/61/180900561.db2.gz YUPFQZIJZPTVQP-UHFFFAOYSA-N 0 0 313.397 4.055 50 0 DIAARN C[C@@H](O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000001926773 180901931 /nfs/dbraw/zinc/90/19/31/180901931.db2.gz OCBVAJSAVLUMER-SNVBAGLBSA-N 0 0 321.207 4.445 50 0 DIAARN CCN(CC)C(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000002209691 180915529 /nfs/dbraw/zinc/91/55/29/180915529.db2.gz WAROTAWKSWTWMZ-SFHVURJKSA-N 0 0 305.462 4.472 50 0 DIAARN c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000002237299 180916594 /nfs/dbraw/zinc/91/65/94/180916594.db2.gz LIBRYMAGSKDPGS-UHFFFAOYSA-N 0 0 312.332 4.205 50 0 DIAARN Clc1ncn(CCOc2ccc3ccccc3c2)c1Cl ZINC000002325714 180919133 /nfs/dbraw/zinc/91/91/33/180919133.db2.gz ZJVARYLKOFOYJH-UHFFFAOYSA-N 0 0 307.180 4.422 50 0 DIAARN Cc1cc(C)cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 ZINC000002120870 180910550 /nfs/dbraw/zinc/91/05/50/180910550.db2.gz VQTAJLZUGHULOV-UHFFFAOYSA-N 0 0 321.376 4.075 50 0 biogenic DIAARN CCc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 ZINC000002126184 180911675 /nfs/dbraw/zinc/91/16/75/180911675.db2.gz ZULSHXVBZVVHEH-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN CCCC(CCC)C(=O)NCCc1c[nH]c2cc(OC)ccc12 ZINC000002126886 180911712 /nfs/dbraw/zinc/91/17/12/180911712.db2.gz XFOIOLGFEYYALI-UHFFFAOYSA-N 0 0 316.445 4.052 50 0 biogenic DIAARN Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=O ZINC000002431606 180923734 /nfs/dbraw/zinc/92/37/34/180923734.db2.gz RIUIPEPWSMVYBO-NRFANRHFSA-N 0 0 319.404 4.013 50 0 DIAARN Cc1ccccc1[C@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 ZINC000002471878 180925643 /nfs/dbraw/zinc/92/56/43/180925643.db2.gz XWWCQGFYRDDXHF-DLBZAZTESA-N 0 0 324.815 4.386 50 0 DIAARN FC(F)(F)c1cccc(C2N=NC(=S)N2c2ccccc2)c1 ZINC000002523435 180932175 /nfs/dbraw/zinc/93/21/75/180932175.db2.gz AKDGCFQCHKGAJF-UHFFFAOYSA-N 0 0 321.327 4.242 50 0 DIAARN COc1ccccc1C(=O)CCc1cccc(Br)c1 ZINC000002516696 180930617 /nfs/dbraw/zinc/93/06/17/180930617.db2.gz NQSRGYMGJGLMOW-UHFFFAOYSA-N 0 0 319.198 4.273 50 0 DIAARN O=C(CCc1ccc(Br)cc1)c1cccc(F)c1 ZINC000002516763 180930993 /nfs/dbraw/zinc/93/09/93/180930993.db2.gz JWXXJLCEFKMYPW-UHFFFAOYSA-N 0 0 307.162 4.404 50 0 DIAARN Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)ccc1C(C)C ZINC000002543410 180934009 /nfs/dbraw/zinc/93/40/09/180934009.db2.gz JOURYCLOOIDCJT-UHFFFAOYSA-N 0 0 320.392 4.421 50 0 DIAARN Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCCC2 ZINC000002558511 180935075 /nfs/dbraw/zinc/93/50/75/180935075.db2.gz IGYIFYCSJCBJRT-UHFFFAOYSA-N 0 0 306.475 4.052 50 0 DIAARN CCOC(=O)CCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002580325 180937349 /nfs/dbraw/zinc/93/73/49/180937349.db2.gz CPOWYRQGDVAMAL-UHFFFAOYSA-N 0 0 302.292 4.012 50 0 DIAARN CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)CCC2 ZINC000002618642 180939310 /nfs/dbraw/zinc/93/93/10/180939310.db2.gz MFHNSTVXRJNLAH-UHFFFAOYSA-N 0 0 309.409 4.064 50 0 DIAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1 ZINC000002640219 180942792 /nfs/dbraw/zinc/94/27/92/180942792.db2.gz ALELSSSOCMBLKS-UHFFFAOYSA-N 0 0 314.389 4.041 50 0 DIAARN COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000002639917 180942840 /nfs/dbraw/zinc/94/28/40/180942840.db2.gz SJJHLSHNFYZFLU-UHFFFAOYSA-N 0 0 309.337 4.262 50 0 aggregator DIAARN Cc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)s2)o1 ZINC000002641632 180942959 /nfs/dbraw/zinc/94/29/59/180942959.db2.gz AINPBBAZFOYJLO-UHFFFAOYSA-N 0 0 319.773 4.012 50 0 DIAARN CC(C)CNC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000002645797 180943437 /nfs/dbraw/zinc/94/34/37/180943437.db2.gz KISHFVQLNLQBFZ-UHFFFAOYSA-N 0 0 323.392 4.398 50 0 DIAARN COc1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 ZINC000002651208 180943915 /nfs/dbraw/zinc/94/39/15/180943915.db2.gz FRWOXUKCSZVUBV-UHFFFAOYSA-N 0 0 313.397 4.145 50 0 DIAARN CCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000002667167 180946259 /nfs/dbraw/zinc/94/62/59/180946259.db2.gz ONBHJNHFTRKHHA-LBPRGKRZSA-N 0 0 323.651 4.020 50 0 DIAARN Cc1csc(NC(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000002623159 180940444 /nfs/dbraw/zinc/94/04/44/180940444.db2.gz DAOKQRAFAJQNBL-UHFFFAOYSA-N 0 0 304.415 4.129 50 0 DIAARN Cc1cc(C)cc(C(=O)OCc2ccc(Br)cc2)c1 ZINC000002631789 180941425 /nfs/dbraw/zinc/94/14/25/180941425.db2.gz VPFKHELUNJTMSA-UHFFFAOYSA-N 0 0 319.198 4.423 50 0 DIAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)s1 ZINC000002741256 180951046 /nfs/dbraw/zinc/95/10/46/180951046.db2.gz QUPVRCXCRFQGSL-UHFFFAOYSA-N 0 0 311.332 4.332 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000002695288 180947571 /nfs/dbraw/zinc/94/75/71/180947571.db2.gz HPIFJYLSEWLRGO-NSHDSACASA-N 0 0 307.752 4.194 50 0 DIAARN CCOc1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000002714025 180948678 /nfs/dbraw/zinc/94/86/78/180948678.db2.gz GHOJQYHGBKTJMY-UHFFFAOYSA-N 0 0 316.357 4.086 50 0 DIAARN CC[C@H](C)N(C(=O)c1c(F)c(F)c(F)c(F)c1F)[C@@H](C)CC ZINC000002772703 180954736 /nfs/dbraw/zinc/95/47/36/180954736.db2.gz WNLDUEJQTWWISC-YUMQZZPRSA-N 0 0 323.305 4.421 50 0 DIAARN CC[C@@H](C)c1ccc([C@H](CC)NC(=S)NCCCOC)cc1 ZINC000002780392 180956534 /nfs/dbraw/zinc/95/65/34/180956534.db2.gz SCWOQYXJVNCEKF-PBHICJAKSA-N 0 0 322.518 4.152 50 0 DIAARN COc1ccc2nc(NC(=O)Nc3cccc(C)c3)sc2c1 ZINC000002761309 180952751 /nfs/dbraw/zinc/95/27/51/180952751.db2.gz LIMDIQGRNCZGCH-UHFFFAOYSA-N 0 0 313.382 4.257 50 0 DIAARN CCCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000002761851 180953583 /nfs/dbraw/zinc/95/35/83/180953583.db2.gz JCEIDZVLKPGNKK-UHFFFAOYSA-N 0 0 316.426 4.063 50 0 DIAARN COc1ccc(Cl)cc1-c1nc(-c2ccc(C)cc2)no1 ZINC000002842028 180962638 /nfs/dbraw/zinc/96/26/38/180962638.db2.gz LWVWOAWMFOKLKH-UHFFFAOYSA-N 0 0 300.745 4.374 50 0 DIAARN Cc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 ZINC000002852106 180963265 /nfs/dbraw/zinc/96/32/65/180963265.db2.gz VFKKNPCGFUCXPD-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN Cc1sc2ncn3nc([C@@H]4C[C@H]4c4ccccc4)nc3c2c1C ZINC000002808688 180960401 /nfs/dbraw/zinc/96/04/01/180960401.db2.gz BXGFPNXNEPLFSP-UONOGXRCSA-N 0 0 320.421 4.227 50 0 DIAARN O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1Cl ZINC000002875528 180966173 /nfs/dbraw/zinc/96/61/73/180966173.db2.gz TVQAWOKNSZZJRC-UHFFFAOYSA-N 0 0 313.828 4.078 50 0 DIAARN Cc1ccc(NC(=O)CSCc2ccc(F)cc2)c(C)c1 ZINC000002884594 180968010 /nfs/dbraw/zinc/96/80/10/180968010.db2.gz ZGRKRZQLDXRINA-UHFFFAOYSA-N 0 0 303.402 4.314 50 0 DIAARN Cc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1 ZINC000002982830 180973668 /nfs/dbraw/zinc/97/36/68/180973668.db2.gz HTYGIQJVKQLXPG-UHFFFAOYSA-N 0 0 319.857 4.312 50 0 DIAARN COc1cc(C=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000002983834 180973976 /nfs/dbraw/zinc/97/39/76/180973976.db2.gz IPTWKOODEQACJL-UHFFFAOYSA-N 0 0 320.772 4.009 50 0 DIAARN CCOc1ccccc1OCCOc1cccc2cccnc21 ZINC000002983865 180974055 /nfs/dbraw/zinc/97/40/55/180974055.db2.gz YVQDXBUFLNKAON-UHFFFAOYSA-N 0 0 309.365 4.091 50 0 DIAARN COc1ccccc1OCCCCOc1ccccc1C(C)=O ZINC000002985922 180974633 /nfs/dbraw/zinc/97/46/33/180974633.db2.gz HESXVYCDHKRWLI-UHFFFAOYSA-N 0 0 314.381 4.136 50 0 DIAARN COc1cc(C)ccc1OCCCCOc1cccc(C=O)c1 ZINC000002991209 180975295 /nfs/dbraw/zinc/97/52/95/180975295.db2.gz WGFZOJHLBSVINV-UHFFFAOYSA-N 0 0 314.381 4.054 50 0 DIAARN O=c1ccn(Cc2ccc(F)cc2)c2cc(C(F)(F)F)ccc12 ZINC000003106289 180982318 /nfs/dbraw/zinc/98/23/18/180982318.db2.gz YJRIPGWSVKFUET-UHFFFAOYSA-N 0 0 321.273 4.208 50 0 DIAARN C[C@H](NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC000003121338 180982613 /nfs/dbraw/zinc/98/26/13/180982613.db2.gz HTPBJOMKIMAFQA-VIFPVBQESA-N 0 0 320.380 4.306 50 0 DIAARN O[C@@H](COc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000003121229 180982859 /nfs/dbraw/zinc/98/28/59/180982859.db2.gz DXYHCBLNHSIWFI-MRXNPFEDSA-N 0 0 317.388 4.234 50 0 DIAARN O=C(Cc1ccccc1OC(=O)c1ccccc1)c1ccccc1 ZINC000003191719 180990365 /nfs/dbraw/zinc/99/03/65/180990365.db2.gz FWBZHWLINCDIJZ-UHFFFAOYSA-N 0 0 316.356 4.331 50 0 DIAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000003191643 180990421 /nfs/dbraw/zinc/99/04/21/180990421.db2.gz WVJIXLNZIMOQCA-SUMWQHHRSA-N 0 0 307.397 4.080 50 0 DIAARN CCC[C@@H](C)C(=O)OCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000003240400 180995283 /nfs/dbraw/zinc/99/52/83/180995283.db2.gz TWJXDJXZZOLMHV-CYBMUJFWSA-N 0 0 314.381 4.011 50 0 DIAARN COc1ccc(OC)c(C(=O)CSc2ccc(Cl)cc2)c1 ZINC000003243561 180995464 /nfs/dbraw/zinc/99/54/64/180995464.db2.gz FHZGZLSLCXRUOS-UHFFFAOYSA-N 0 0 322.813 4.332 50 0 DIAARN CCOc1ccc(Oc2c(C=O)c(C)nn2-c2ccccc2)cc1 ZINC000003257646 180997607 /nfs/dbraw/zinc/99/76/07/180997607.db2.gz PJLPVXDSCAFOLI-UHFFFAOYSA-N 0 0 322.364 4.184 50 0 DIAARN CC[C@@H](C(=O)OCC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000003317950 181004484 /nfs/dbraw/zinc/00/44/84/181004484.db2.gz XQNDTULFRPVENQ-GFCCVEGCSA-N 0 0 322.813 4.321 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(OC(F)F)cc1 ZINC000003325768 181005582 /nfs/dbraw/zinc/00/55/82/181005582.db2.gz ZPBXCEOFMJLZCX-UHFFFAOYSA-N 0 0 303.308 4.029 50 0 DIAARN CC(=O)c1ccc(OC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003329737 181005978 /nfs/dbraw/zinc/00/59/78/181005978.db2.gz YLAHXDSWHMJZAE-UHFFFAOYSA-N 0 0 308.255 4.127 50 0 DIAARN CC(C)Sc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003328523 181006043 /nfs/dbraw/zinc/00/60/43/181006043.db2.gz PLKKLRZRVWBSAA-UHFFFAOYSA-N 0 0 314.385 4.025 50 0 DIAARN O=C(O[C@@H]1CCCCC1=O)c1ccccc1Oc1ccccc1 ZINC000003290923 181001005 /nfs/dbraw/zinc/00/10/05/181001005.db2.gz RNMVRPYKJORQCT-GOSISDBHSA-N 0 0 310.349 4.147 50 0 DIAARN CC(=O)c1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000003292129 181001014 /nfs/dbraw/zinc/00/10/14/181001014.db2.gz RMLAPKABQBWBDA-UHFFFAOYSA-N 0 0 322.191 4.377 50 0 DIAARN O=C(CCc1ccccc1)Nc1nc2c(cc(F)cc2F)s1 ZINC000003294059 181001602 /nfs/dbraw/zinc/00/16/02/181001602.db2.gz KUUPFDHYVLXLMU-UHFFFAOYSA-N 0 0 318.348 4.146 50 0 DIAARN O=C(NCc1cccs1)c1ccccc1OCc1ccccc1 ZINC000003367143 181012342 /nfs/dbraw/zinc/01/23/42/181012342.db2.gz VWUNZOZMAHTVMN-UHFFFAOYSA-N 0 0 323.417 4.257 50 0 DIAARN O=C(COc1cccc2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000003373257 181013088 /nfs/dbraw/zinc/01/30/88/181013088.db2.gz JMVWFCATTXRSEX-UHFFFAOYSA-N 0 0 317.388 4.346 50 0 DIAARN O=c1cc(CSc2ccc3ccccc3c2)nc2sccn21 ZINC000003382389 181013445 /nfs/dbraw/zinc/01/34/45/181013445.db2.gz IALBOFZLRPXQDQ-UHFFFAOYSA-N 0 0 324.430 4.202 50 0 DIAARN Cc1cnc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cn1 ZINC000003379854 181013556 /nfs/dbraw/zinc/01/35/56/181013556.db2.gz TXPAYJRDZUJOFU-UHFFFAOYSA-N 0 0 312.413 4.056 50 0 DIAARN CC(=O)c1ccccc1NC(=O)CSc1ccccc1Cl ZINC000003380555 181013777 /nfs/dbraw/zinc/01/37/77/181013777.db2.gz GYINHQXEUUHLKT-UHFFFAOYSA-N 0 0 319.813 4.273 50 0 DIAARN Cc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 ZINC000003331892 181006623 /nfs/dbraw/zinc/00/66/23/181006623.db2.gz MJXHXDFAJLAVES-IZZDOVSWSA-N 0 0 303.308 4.248 50 0 DIAARN CCCCC[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000003337061 181007805 /nfs/dbraw/zinc/00/78/05/181007805.db2.gz WQTCXHYCXLNKOU-CQSZACIVSA-N 0 0 313.445 4.188 50 0 DIAARN CCC(=O)c1ccc(OCC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000003341582 181008197 /nfs/dbraw/zinc/00/81/97/181008197.db2.gz ZPRDROJGQZDVFI-UHFFFAOYSA-N 0 0 310.393 4.466 50 0 DIAARN Cc1cccc(C(=O)Oc2cccc(Br)c2)c1C ZINC000003353439 181010566 /nfs/dbraw/zinc/01/05/66/181010566.db2.gz IEPMKSZKHXGDOE-UHFFFAOYSA-N 0 0 305.171 4.285 50 0 DIAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2ccccc2n1 ZINC000003351831 181010610 /nfs/dbraw/zinc/01/06/10/181010610.db2.gz SUUHWRKHPFUZAG-SFHVURJKSA-N 0 0 302.377 4.042 50 0 DIAARN CN(Cc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1 ZINC000003351328 181010687 /nfs/dbraw/zinc/01/06/87/181010687.db2.gz ACRJCSRUQROZNY-UHFFFAOYSA-N 0 0 323.367 4.016 50 0 DIAARN CSc1ccccc1NCC(=O)Nc1ccc(C)cc1Cl ZINC000003357630 181010961 /nfs/dbraw/zinc/01/09/61/181010961.db2.gz QWZFUDHIAALBPO-UHFFFAOYSA-N 0 0 320.845 4.421 50 0 DIAARN Cc1cc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)no1 ZINC000003357928 181011126 /nfs/dbraw/zinc/01/11/26/181011126.db2.gz NNTGJHOKHVKPGP-UHFFFAOYSA-N 0 0 322.792 4.086 50 0 DIAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000003357646 181011214 /nfs/dbraw/zinc/01/12/14/181011214.db2.gz VIHKFRNFKORXJJ-NSHDSACASA-N 0 0 306.768 4.227 50 0 DIAARN CC(C)CCNC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000003453963 181022226 /nfs/dbraw/zinc/02/22/26/181022226.db2.gz MNQDHBASDCQWMJ-UHFFFAOYSA-N 0 0 320.483 4.065 50 0 DIAARN Cc1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C ZINC000003453144 181022265 /nfs/dbraw/zinc/02/22/65/181022265.db2.gz NGNCKZYAWQSJTE-UHFFFAOYSA-N 0 0 322.437 4.444 50 0 DIAARN CCCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 ZINC000003403944 181015865 /nfs/dbraw/zinc/01/58/65/181015865.db2.gz CZCRNIRCKIKBRT-UHFFFAOYSA-N 0 0 303.789 4.059 50 0 DIAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)n1 ZINC000003404141 181015914 /nfs/dbraw/zinc/01/59/14/181015914.db2.gz AQRDBNRFBFFLDI-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN CC(C)c1ccc([C@H](C)NC(=O)c2cccc(N(C)C)c2)cc1 ZINC000003410393 181016134 /nfs/dbraw/zinc/01/61/34/181016134.db2.gz NTLRRADSXYBVFO-HNNXBMFYSA-N 0 0 310.441 4.367 50 0 DIAARN Cc1csc(SCC(=O)Nc2cccc(Cl)c2C)n1 ZINC000003413804 181016792 /nfs/dbraw/zinc/01/67/92/181016792.db2.gz QAXPQIQUBXUWKB-UHFFFAOYSA-N 0 0 312.847 4.144 50 0 DIAARN CC(=O)CCc1ccc(OC(=O)c2cc3ccccc3o2)cc1 ZINC000003428170 181018155 /nfs/dbraw/zinc/01/81/55/181018155.db2.gz BIJNRWUTCBSYFA-UHFFFAOYSA-N 0 0 308.333 4.174 50 0 DIAARN Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 ZINC000003429492 181018277 /nfs/dbraw/zinc/01/82/77/181018277.db2.gz XLLFCLVMVZGIKQ-UHFFFAOYSA-N 0 0 306.818 4.165 50 0 DIAARN C[C@H](CCc1ccccc1)NC(=O)Cc1c(F)cccc1Cl ZINC000003455040 181022542 /nfs/dbraw/zinc/02/25/42/181022542.db2.gz LCWOHVDXMHVDHU-CYBMUJFWSA-N 0 0 319.807 4.159 50 0 DIAARN COc1cc(NC(=S)NC(C)(C)CC(C)(C)C)cc(OC)c1 ZINC000003434739 181018838 /nfs/dbraw/zinc/01/88/38/181018838.db2.gz AXWRLUVKDJIBAZ-UHFFFAOYSA-N 0 0 324.490 4.205 50 0 DIAARN C[C@@H](Nc1ccccc1-c1ccccc1)C(=O)N1CCC[C@@H](C)C1 ZINC000003435363 181019589 /nfs/dbraw/zinc/01/95/89/181019589.db2.gz FAGNHOOULOGNLN-IAGOWNOFSA-N 0 0 322.452 4.413 50 0 DIAARN Cc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)o1 ZINC000003444264 181020915 /nfs/dbraw/zinc/02/09/15/181020915.db2.gz HTFXWUIMJRCODN-UHFFFAOYSA-N 0 0 316.357 4.032 50 0 DIAARN O=C(CN1CCCCCCC1)Nc1cccc(Cl)c1Cl ZINC000003453089 181021960 /nfs/dbraw/zinc/02/19/60/181021960.db2.gz CIBWNMXBMMCBRR-UHFFFAOYSA-N 0 0 315.244 4.198 50 0 DIAARN COc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000003462307 181023760 /nfs/dbraw/zinc/02/37/60/181023760.db2.gz IEOQYKCJHUFIKQ-UHFFFAOYSA-N 0 0 309.337 4.262 50 0 DIAARN CCc1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000003473185 181024051 /nfs/dbraw/zinc/02/40/51/181024051.db2.gz UQKCLRZKMDTFHJ-UHFFFAOYSA-N 0 0 304.187 4.264 50 0 DIAARN COc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1Cl ZINC000003472300 181024119 /nfs/dbraw/zinc/02/41/19/181024119.db2.gz XFRDRSYLGFKZAG-VMPITWQZSA-N 0 0 305.736 4.140 50 0 DIAARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000003472855 181024568 /nfs/dbraw/zinc/02/45/68/181024568.db2.gz LTHULEDOLKDKOY-GFCCVEGCSA-N 0 0 319.788 4.145 50 0 DIAARN CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003482977 181025270 /nfs/dbraw/zinc/02/52/70/181025270.db2.gz JOVSFRGIGWEBSN-UHFFFAOYSA-N 0 0 309.287 4.356 50 0 DIAARN CCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000003483126 181025360 /nfs/dbraw/zinc/02/53/60/181025360.db2.gz QGABSJGDIBDVPR-UHFFFAOYSA-N 0 0 311.715 4.269 50 0 DIAARN O=C(c1ccc2ccccc2n1)N1CC=C(c2ccccc2)CC1 ZINC000003491191 181026272 /nfs/dbraw/zinc/02/62/72/181026272.db2.gz NGRUNFKWRSWUOL-UHFFFAOYSA-N 0 0 314.388 4.164 50 0 DIAARN Cc1ccc(Cl)c(OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000003494301 181026554 /nfs/dbraw/zinc/02/65/54/181026554.db2.gz HOMAGALNPQRAAL-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000003504162 181027071 /nfs/dbraw/zinc/02/70/71/181027071.db2.gz HWDIKAISBVWYHJ-UHFFFAOYSA-N 0 0 313.422 4.472 50 0 DIAARN Cc1ccc2c(COC(=O)c3cc(C)cc(C)c3)cc(=O)oc2c1 ZINC000003512783 181028856 /nfs/dbraw/zinc/02/88/56/181028856.db2.gz LZIWINZVPALNDT-UHFFFAOYSA-N 0 0 322.360 4.075 50 0 DIAARN CC(C)Cc1ccc([C@H](C)NC(=O)COc2ccccc2)cc1 ZINC000003515510 181029257 /nfs/dbraw/zinc/02/92/57/181029257.db2.gz WNAPOEICKCZABP-INIZCTEOSA-N 0 0 311.425 4.141 50 0 DIAARN COc1ccc(CSc2nnc(-c3ccccc3)o2)cc1F ZINC000003515806 181029381 /nfs/dbraw/zinc/02/93/81/181029381.db2.gz VGYAMGQDWKCHOX-UHFFFAOYSA-N 0 0 316.357 4.177 50 0 DIAARN COc1cc2ccccc2cc1C(=O)N1CCc2ccccc21 ZINC000003517589 181029397 /nfs/dbraw/zinc/02/93/97/181029397.db2.gz DQLRNKXIDJCSJI-UHFFFAOYSA-N 0 0 303.361 4.051 50 0 DIAARN CC(=O)c1c(C)[nH]c(-c2csc(NCc3ccco3)n2)c1C ZINC000003547698 181032635 /nfs/dbraw/zinc/03/26/35/181032635.db2.gz ZTKBEGMMRCMUKM-UHFFFAOYSA-N 0 0 315.398 4.163 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000003547842 181032836 /nfs/dbraw/zinc/03/28/36/181032836.db2.gz GASIEDRWJGBWEI-VMPITWQZSA-N 0 0 305.736 4.140 50 0 DIAARN COc1ccc(CCC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000003547762 181032956 /nfs/dbraw/zinc/03/29/56/181032956.db2.gz OLSOZOKEETWMLZ-UHFFFAOYSA-N 0 0 307.752 4.059 50 0 DIAARN COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1C ZINC000003548494 181033055 /nfs/dbraw/zinc/03/30/55/181033055.db2.gz XKQWNRMGAFCYIG-AWEZNQCLSA-N 0 0 315.438 4.264 50 0 DIAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1 ZINC000003554242 181033880 /nfs/dbraw/zinc/03/38/80/181033880.db2.gz WWHAQTXUFGXWME-UHFFFAOYSA-N 0 0 321.814 4.172 50 0 DIAARN Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000003554348 181033917 /nfs/dbraw/zinc/03/39/17/181033917.db2.gz DPMOEMHUFHIHTM-AWEZNQCLSA-N 0 0 317.816 4.041 50 0 DIAARN CCCOc1ccccc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000003554233 181034104 /nfs/dbraw/zinc/03/41/04/181034104.db2.gz MMSCPJFZBGOJSJ-UHFFFAOYSA-N 0 0 321.323 4.329 50 0 DIAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1 ZINC000003560707 181034311 /nfs/dbraw/zinc/03/43/11/181034311.db2.gz RFUKJHFXBGDHNJ-UHFFFAOYSA-N 0 0 323.421 4.383 50 0 DIAARN CCOc1ccc(-c2nc(NC(=O)C3CCC3)sc2C)cc1 ZINC000003560635 181034522 /nfs/dbraw/zinc/03/45/22/181034522.db2.gz ZQKOPSQXHYYZPW-UHFFFAOYSA-N 0 0 316.426 4.256 50 0 DIAARN Cc1cccc2sc(NC(=O)Cc3ccccc3Cl)nc21 ZINC000003558856 181034749 /nfs/dbraw/zinc/03/47/49/181034749.db2.gz LHZJSQCKIMCJEN-UHFFFAOYSA-N 0 0 316.813 4.439 50 0 DIAARN O=C(NCc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000003562423 181035237 /nfs/dbraw/zinc/03/52/37/181035237.db2.gz YMJUVJICYQFQHV-UHFFFAOYSA-N 0 0 324.605 4.033 50 0 DIAARN COc1ccc2oc(C(=O)Nc3ccccc3OC)c(C)c2c1 ZINC000003561771 181035426 /nfs/dbraw/zinc/03/54/26/181035426.db2.gz RMJHXZCWYNQSLC-UHFFFAOYSA-N 0 0 311.337 4.011 50 0 DIAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000003567502 181036051 /nfs/dbraw/zinc/03/60/51/181036051.db2.gz QONZQXIIZLTOKB-UHFFFAOYSA-N 0 0 309.196 4.068 50 0 DIAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000003581257 181036928 /nfs/dbraw/zinc/03/69/28/181036928.db2.gz ZITWAEWOXWUDFE-UHFFFAOYSA-N 0 0 303.427 4.030 50 0 DIAARN CCOc1ccc(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)cc1 ZINC000003588449 181037601 /nfs/dbraw/zinc/03/76/01/181037601.db2.gz ABNGJSUCQRYOCC-KRWDZBQOSA-N 0 0 324.424 4.415 50 0 DIAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)nc1 ZINC000003538461 181031262 /nfs/dbraw/zinc/03/12/62/181031262.db2.gz BDQVAYCEGULFII-UHFFFAOYSA-N 0 0 322.795 4.254 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000003536915 181031362 /nfs/dbraw/zinc/03/13/62/181031362.db2.gz HTSIBWPMIFIITB-GFCCVEGCSA-N 0 0 314.816 4.038 50 0 DIAARN O=C(Cc1ccc(Cl)cc1Cl)NC1CCCCCC1 ZINC000003613283 181041012 /nfs/dbraw/zinc/04/10/12/181041012.db2.gz BLWIPGHFZSFBJT-UHFFFAOYSA-N 0 0 300.229 4.375 50 0 DIAARN COc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1Cl ZINC000003613812 181041338 /nfs/dbraw/zinc/04/13/38/181041338.db2.gz JBHGVBVVRKFQBM-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN CCCSc1nc2c(c(=O)[nH]1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000003771727 181045297 /nfs/dbraw/zinc/04/52/97/181045297.db2.gz DBIFJSUGQSVQGV-SFHVURJKSA-N 0 0 314.454 4.163 50 0 DIAARN O=C1O/C(=C\Br)CC[C@H]1c1cccc2ccccc21 ZINC000003871776 181050454 /nfs/dbraw/zinc/05/04/54/181050454.db2.gz BYUCSFWXCMTYOI-WQTVUKCASA-N 0 0 317.182 4.497 50 0 DIAARN Cc1ccccc1N1C(=S)N=NC1c1c[nH]c2ccccc21 ZINC000003885793 181052174 /nfs/dbraw/zinc/05/21/74/181052174.db2.gz ZNBTVMZJTGWTPC-UHFFFAOYSA-N 0 0 306.394 4.013 50 0 DIAARN Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2s1 ZINC000003888685 181052867 /nfs/dbraw/zinc/05/28/67/181052867.db2.gz UWISPEUQFVJAGP-UHFFFAOYSA-N 0 0 301.318 4.021 50 0 DIAARN Cc1cc(C)c(NC(=O)CC(=O)c2ccccc2)c(Cl)c1 ZINC000003887923 181053117 /nfs/dbraw/zinc/05/31/17/181053117.db2.gz COOIFIYJPGQGRS-UHFFFAOYSA-N 0 0 301.773 4.168 50 0 DIAARN Cc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000003892450 181053155 /nfs/dbraw/zinc/05/31/55/181053155.db2.gz DSKVCFLBSVALOM-UHFFFAOYSA-N 0 0 306.361 4.169 50 0 DIAARN O=C(Nc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000003895240 181053567 /nfs/dbraw/zinc/05/35/67/181053567.db2.gz BANILFSZVAQDHJ-UHFFFAOYSA-N 0 0 304.821 4.430 50 0 DIAARN CCCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1 ZINC000003899341 181054275 /nfs/dbraw/zinc/05/42/75/181054275.db2.gz SXXNXMRAFXOIPO-UHFFFAOYSA-N 0 0 305.428 4.343 50 0 DIAARN C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000003907668 181055681 /nfs/dbraw/zinc/05/56/81/181055681.db2.gz XCZNYJJDLLTUSX-LLVKDONJSA-N 0 0 304.777 4.010 50 0 DIAARN CC(C)Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000003909108 181056724 /nfs/dbraw/zinc/05/67/24/181056724.db2.gz WJDMZKZTESMWHH-UHFFFAOYSA-N 0 0 312.291 4.144 50 0 DIAARN CCc1cc2c(cc1OC)oc(C)c(-c1ccc(OC)cc1)c2=O ZINC000004025853 181063514 /nfs/dbraw/zinc/06/35/14/181063514.db2.gz DNMNAKNVAWEJQI-UHFFFAOYSA-N 0 0 324.376 4.348 50 0 biogenic DIAARN CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 ZINC000004026533 181063666 /nfs/dbraw/zinc/06/36/66/181063666.db2.gz UOWOIGNEFLTNAW-KRWDZBQOSA-N 0 0 324.376 4.313 50 0 endogenous,in-man DIAARN CC(=O)OC[C@@]12CO[C@H](c3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000004026572 181063951 /nfs/dbraw/zinc/06/39/51/181063951.db2.gz VCHXOWGOUYSRMD-LXWRTIBQSA-N 0 0 314.425 4.156 50 0 biogenic DIAARN CCC(CC)C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 ZINC000004033178 181065426 /nfs/dbraw/zinc/06/54/26/181065426.db2.gz KFRCSJQWUIDIHH-UHFFFAOYSA-N 0 0 322.412 4.079 50 0 DIAARN CCc1ccccc1NC(=O)c1noc2c1CCc1ccccc1-2 ZINC000003909431 181057565 /nfs/dbraw/zinc/05/75/65/181057565.db2.gz FOSIWSXOZRFBDA-UHFFFAOYSA-N 0 0 318.376 4.255 50 0 DIAARN CCNC(=S)N(Cc1ccccc1)Cc1ccccc1Cl ZINC000003997793 181060249 /nfs/dbraw/zinc/06/02/49/181060249.db2.gz RZKYDBYDCBNRRI-UHFFFAOYSA-N 0 0 318.873 4.237 50 0 DIAARN Cc1c2cc(C)ccc2n2c1[C@]1(c3ccc(C)cc3)OC[C@H](C2)O1 ZINC000003999405 181060544 /nfs/dbraw/zinc/06/05/44/181060544.db2.gz ODJHWQDAZVSYQQ-LAUBAEHRSA-N 0 0 319.404 4.197 50 0 biogenic DIAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@H]1c1cccnc1 ZINC000004000398 181061284 /nfs/dbraw/zinc/06/12/84/181061284.db2.gz WLUPMYXUNVYLNP-SFHVURJKSA-N 0 0 323.371 4.069 50 0 biogenic DIAARN Cc1cc(NC(=O)COc2ccc(F)cc2)ccc1C(C)C ZINC000004105134 181073668 /nfs/dbraw/zinc/07/36/68/181073668.db2.gz KXLGEPMWUBWCFV-UHFFFAOYSA-N 0 0 301.361 4.275 50 0 DIAARN COC(=O)c1ccc(CSc2c(C)[nH]c3ccccc32)o1 ZINC000004106385 181074363 /nfs/dbraw/zinc/07/43/63/181074363.db2.gz MQGITWYFHRPLDK-UHFFFAOYSA-N 0 0 301.367 4.148 50 0 DIAARN S=C(Nc1ccc(Cl)cc1)Nc1ccc2ncoc2c1 ZINC000004050318 181067028 /nfs/dbraw/zinc/06/70/28/181067028.db2.gz RRVGEJSWRVCMFT-UHFFFAOYSA-N 0 0 303.774 4.290 50 0 DIAARN Cc1ccc(Oc2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000004054502 181067527 /nfs/dbraw/zinc/06/75/27/181067527.db2.gz KUELMQAVLKNHFA-UHFFFAOYSA-N 0 0 318.376 4.112 50 0 DIAARN Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)c1 ZINC000004076027 181070467 /nfs/dbraw/zinc/07/04/67/181070467.db2.gz GMMAFLMNTBEKDK-BQYQJAHWSA-N 0 0 324.405 4.287 50 0 DIAARN Cc1nc2c(ccc3nc(NC(=O)c4ccco4)sc32)s1 ZINC000004173998 181081586 /nfs/dbraw/zinc/08/15/86/181081586.db2.gz YNBXMEZFIRBNEM-UHFFFAOYSA-N 0 0 315.379 4.060 50 0 DIAARN O=c1oc(/C=C/c2cccs2)nc2sc3c(c21)CCCC3 ZINC000004121857 181076069 /nfs/dbraw/zinc/07/60/69/181076069.db2.gz LPWKMWIDDXVTBP-BQYQJAHWSA-N 0 0 315.419 4.360 50 0 DIAARN Cc1ccc(CSC2=NCCN2C(=O)c2ccc(C)cc2)cc1 ZINC000004120353 181076161 /nfs/dbraw/zinc/07/61/61/181076161.db2.gz IAUABZVQTKQXGC-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(O)cc21 ZINC000004123757 181076867 /nfs/dbraw/zinc/07/68/67/181076867.db2.gz JMSWIOFHOLHGIL-UHFFFAOYSA-N 0 0 323.392 4.075 50 0 DIAARN Fc1cc2sc(N3CCc4ccccc4C3)nc2c(F)c1 ZINC000004137901 181078126 /nfs/dbraw/zinc/07/81/26/181078126.db2.gz YBSQBOBNTBDEJQ-UHFFFAOYSA-N 0 0 302.349 4.137 50 0 DIAARN CSc1nc2ccccc2n1C(=O)/C=C/c1cccc(F)c1 ZINC000004136870 181078248 /nfs/dbraw/zinc/07/82/48/181078248.db2.gz UTEDVBZZFWWIBP-MDZDMXLPSA-N 0 0 312.369 4.251 50 0 DIAARN CCCCc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000004141656 181078725 /nfs/dbraw/zinc/07/87/25/181078725.db2.gz NSHMBUIZGKYJGC-UHFFFAOYSA-N 0 0 311.381 4.207 50 0 DIAARN CCCCn1c(SCCC)nc2sc3c(c2c1=O)CCC3 ZINC000004141979 181078805 /nfs/dbraw/zinc/07/88/05/181078805.db2.gz VFQIDIWABJIAQH-UHFFFAOYSA-N 0 0 322.499 4.249 50 0 DIAARN CCCCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000004163188 181080236 /nfs/dbraw/zinc/08/02/36/181080236.db2.gz NVNFWDISQRISKN-UHFFFAOYSA-N 0 0 320.392 4.184 50 0 DIAARN CCCCCCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000004178908 181082729 /nfs/dbraw/zinc/08/27/29/181082729.db2.gz FTQIVBVVZJIIDQ-UHFFFAOYSA-N 0 0 321.421 4.177 50 0 DIAARN O=C(Nc1ccccc1F)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000004189807 181083021 /nfs/dbraw/zinc/08/30/21/181083021.db2.gz GGUBAOBARFCCSV-KGLIPLIRSA-N 0 0 324.182 4.352 50 0 DIAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1nnc(C(C)C)s1 ZINC000004185897 181083239 /nfs/dbraw/zinc/08/32/39/181083239.db2.gz HWEISNZYUTXFFH-UHFFFAOYSA-N 0 0 315.398 4.277 50 0 DIAARN CCOc1cc(C=O)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000004207325 181085454 /nfs/dbraw/zinc/08/54/54/181085454.db2.gz VXEULDKIQKAPHL-UHFFFAOYSA-N 0 0 314.425 4.493 50 0 DIAARN O=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000004207368 181085644 /nfs/dbraw/zinc/08/56/44/181085644.db2.gz HBRRKHIEUQLAJW-UHFFFAOYSA-N 0 0 302.333 4.157 50 0 DIAARN CCCc1ccc(OCc2ccccc2)c(-c2cc(N)n[nH]2)c1 ZINC000004237688 181086769 /nfs/dbraw/zinc/08/67/69/181086769.db2.gz SXJAJMUEZYZXGP-UHFFFAOYSA-N 0 0 307.397 4.190 50 0 DIAARN COc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000004254417 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Cc1ccc(-n2ncc3c2ncnc3NC2CCCCCC2)cc1 ZINC000004355060 181102035 /nfs/dbraw/zinc/10/20/35/181102035.db2.gz LDKPYTGISMRUGE-UHFFFAOYSA-N 0 0 321.428 4.259 50 0 DIAARN CCc1cc2c(nc(C)nc2Nc2ccc3c(c2)OCO3)s1 ZINC000004413334 181108061 /nfs/dbraw/zinc/10/80/61/181108061.db2.gz UCBYROKANLKJCX-UHFFFAOYSA-N 0 0 313.382 4.034 50 0 DIAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccco1 ZINC000004423083 181108969 /nfs/dbraw/zinc/10/89/69/181108969.db2.gz HWQYWAZUGJIEJT-HNNXBMFYSA-N 0 0 321.376 4.030 50 0 DIAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)C(C)(C)C ZINC000004392500 181106946 /nfs/dbraw/zinc/10/69/46/181106946.db2.gz WFYWQRFFGJEKBD-UHFFFAOYSA-N 0 0 316.470 4.132 50 0 DIAARN CCO[P@@]1(=O)OC(c2ccccc2)=NC1=C(Cl)Cl ZINC000004529938 181120287 /nfs/dbraw/zinc/12/02/87/181120287.db2.gz FPJPZHKGQSYPHI-GOSISDBHSA-N 0 0 306.085 4.297 50 0 DIAARN O=C(/C=C/c1ccccc1)N1CCS[C@@H]1c1ccccc1F ZINC000004527015 181120384 /nfs/dbraw/zinc/12/03/84/181120384.db2.gz BYECQJQLOQLDGE-DOJUMQAQSA-N 0 0 313.397 4.113 50 0 DIAARN COc1cccc(/C=C/C(=O)Nc2ccc(F)cc2)c1Cl ZINC000004542738 181122371 /nfs/dbraw/zinc/12/23/71/181122371.db2.gz SEFGWNVJXIONBW-BJMVGYQFSA-N 0 0 305.736 4.140 50 0 DIAARN Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1Cl ZINC000004542374 181122384 /nfs/dbraw/zinc/12/23/84/181122384.db2.gz QEZDRIGBQDNLKO-UHFFFAOYSA-N 0 0 300.789 4.239 50 0 DIAARN CCN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O ZINC000004457181 181110573 /nfs/dbraw/zinc/11/05/73/181110573.db2.gz NIAZWDOFWZORNI-OQLLNIDSSA-N 0 0 314.410 4.278 50 0 DIAARN O=C1O/C(=C/Br)CC[C@H]1c1cccc2ccccc21 ZINC000004475082 181112223 /nfs/dbraw/zinc/11/22/23/181112223.db2.gz BYUCSFWXCMTYOI-PABFRNLHSA-N 0 0 317.182 4.497 50 0 in-vivo DIAARN CC(C)(C)c1csc(NC(=O)CSc2ccccc2)n1 ZINC000004496634 181115293 /nfs/dbraw/zinc/11/52/93/181115293.db2.gz RBTNXRWXOIHLKQ-UHFFFAOYSA-N 0 0 306.456 4.171 50 0 DIAARN COc1ccc([C@H]2SCC(=O)N2c2cccc(Cl)c2)cc1 ZINC000004515125 181118156 /nfs/dbraw/zinc/11/81/56/181118156.db2.gz VLSQNZRVQHYUFC-MRXNPFEDSA-N 0 0 319.813 4.127 50 0 DIAARN COc1ccc([C@@H]2SCC(=O)N2c2cccc(Cl)c2)cc1 ZINC000004515127 181118429 /nfs/dbraw/zinc/11/84/29/181118429.db2.gz VLSQNZRVQHYUFC-INIZCTEOSA-N 0 0 319.813 4.127 50 0 DIAARN CCC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 ZINC000004564098 181124391 /nfs/dbraw/zinc/12/43/91/181124391.db2.gz FVOLRQZKKNCIGS-UHFFFAOYSA-N 0 0 317.385 4.149 50 0 DIAARN Cc1ccc(N2N=C(c3ccncc3)C[C@H]2c2ccco2)cc1 ZINC000004566708 181125235 /nfs/dbraw/zinc/12/52/35/181125235.db2.gz JJQOAQZCJDICJO-SFHVURJKSA-N 0 0 303.365 4.339 50 0 DIAARN O=c1oc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000004569003 181125549 /nfs/dbraw/zinc/12/55/49/181125549.db2.gz CATHWACZRMCQFE-UHFFFAOYSA-N 0 0 319.360 4.217 50 0 DIAARN CCCCCCNC(=S)Nc1ccc(Br)cc1 ZINC000004608366 181129491 /nfs/dbraw/zinc/12/94/91/181129491.db2.gz GKJHNPQNZRKRBV-UHFFFAOYSA-N 0 0 315.280 4.316 50 0 DIAARN CCCC[NH2+][C@@H](C(=O)[O-])C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000004582993 181127190 /nfs/dbraw/zinc/12/71/90/181127190.db2.gz HBEQFXVDBUJIRO-DHBQWTBNSA-N 0 0 307.478 4.216 50 0 DIAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004587888 181127478 /nfs/dbraw/zinc/12/74/78/181127478.db2.gz YUIUWELOZNYHNL-ZSOIEALJSA-N 0 0 318.159 4.338 50 0 DIAARN CCCCc1ccc(C2=N/C(=C\c3cccs3)C(=O)O2)cc1 ZINC000004589439 181128132 /nfs/dbraw/zinc/12/81/32/181128132.db2.gz GZGKLGAVXUQJLH-VBKFSLOCSA-N 0 0 311.406 4.435 50 0 DIAARN Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2cnccn21 ZINC000004597403 181129044 /nfs/dbraw/zinc/12/90/44/181129044.db2.gz XWMZMKROVZVUSX-UHFFFAOYSA-N 0 0 316.364 4.154 50 0 DIAARN CC(C)N1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000004545305 181123114 /nfs/dbraw/zinc/12/31/14/181123114.db2.gz YOYJVYFTZPPAGG-GXDHUFHOSA-N 0 0 303.427 4.429 50 0 DIAARN C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000004656407 181132705 /nfs/dbraw/zinc/13/27/05/181132705.db2.gz BZZPEIJLOJYSQW-JTQLQIEISA-N 0 0 322.177 4.079 50 0 DIAARN C[C@]12CCc3ccccc3[C@]1(C)N(Cc1ccccc1)C(=O)O2 ZINC000004654054 181132969 /nfs/dbraw/zinc/13/29/69/181132969.db2.gz JLRBDLSMFZOAJI-PMACEKPBSA-N 0 0 307.393 4.259 50 0 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CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000004679180 181135881 /nfs/dbraw/zinc/13/58/81/181135881.db2.gz GSILBSANXVWBMR-BBFGUCIUSA-N 0 0 310.353 4.016 50 0 DIAARN C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000004681375 181136007 /nfs/dbraw/zinc/13/60/07/181136007.db2.gz WMMPDNSCQZHQJG-CYBMUJFWSA-N 0 0 317.816 4.375 50 0 DIAARN CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000004679177 181136201 /nfs/dbraw/zinc/13/62/01/181136201.db2.gz GSILBSANXVWBMR-YHTWNSKWSA-N 0 0 310.353 4.016 50 0 DIAARN O=C(Nc1cccnc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000004688371 181137114 /nfs/dbraw/zinc/13/71/14/181137114.db2.gz FJIRQBGBXRFKPF-XMHGGMMESA-N 0 0 300.361 4.261 50 0 DIAARN Cc1ccc(-c2nc3ncccn3c2Nc2ccc(C)cc2)o1 ZINC000004734306 181144634 /nfs/dbraw/zinc/14/46/34/181144634.db2.gz WEMWYLLBKIEARW-UHFFFAOYSA-N 0 0 304.353 4.350 50 0 DIAARN S=C1N=NC(c2csc3c2CCCC3)N1c1ccccc1 ZINC000004749389 181147691 /nfs/dbraw/zinc/14/76/91/181147691.db2.gz GDDXIDBQLGUFJG-UHFFFAOYSA-N 0 0 313.451 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Cc1c(Cl)cccc1-n1c(=O)c2ccccc2[nH]c1=S ZINC000004864018 181164986 /nfs/dbraw/zinc/16/49/86/181164986.db2.gz SMZLGTJMCJQGIL-UHFFFAOYSA-N 0 0 302.786 4.010 50 0 DIAARN Cc1ccc(-c2nc3ncccn3c2Nc2ccccc2C)o1 ZINC000004903130 181170827 /nfs/dbraw/zinc/17/08/27/181170827.db2.gz QXGMJAAKQKAZEU-UHFFFAOYSA-N 0 0 304.353 4.350 50 0 DIAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccc(C)cc1 ZINC000004904673 181170885 /nfs/dbraw/zinc/17/08/85/181170885.db2.gz HSCXSCXUJMFHGW-UHFFFAOYSA-N 0 0 323.465 4.314 50 0 DIAARN O=C(NC1CCCCC1)c1cc2cc(Br)ccc2o1 ZINC000004867567 181165997 /nfs/dbraw/zinc/16/59/97/181165997.db2.gz QEVZUTQSBIFVEH-UHFFFAOYSA-N 0 0 322.202 4.258 50 0 DIAARN C[C@@]1(c2ccc(Cl)cc2)N=C(c2ccccc2)C(=S)N1 ZINC000004883307 181167774 /nfs/dbraw/zinc/16/77/74/181167774.db2.gz FGEBBVCDYJDLTN-MRXNPFEDSA-N 0 0 300.814 4.344 50 0 DIAARN Clc1ccccc1-c1nn2c(nnc2-c2cccs2)s1 ZINC000004939159 181175639 /nfs/dbraw/zinc/17/56/39/181175639.db2.gz RGBRHUCDTYGPOR-UHFFFAOYSA-N 0 0 318.814 4.235 50 0 DIAARN Cc1occc1-c1nnc2sc(-c3ccc(Cl)cc3)nn21 ZINC000004938895 181175715 /nfs/dbraw/zinc/17/57/15/181175715.db2.gz WABMGBGPCOJJNM-UHFFFAOYSA-N 0 0 316.773 4.075 50 0 DIAARN O=C(c1cccc(Cl)c1)N1CCS[C@@H]1c1ccc(F)cc1 ZINC000004929230 181174441 /nfs/dbraw/zinc/17/44/41/181174441.db2.gz ZWNJJTUTHAITBI-MRXNPFEDSA-N 0 0 321.804 4.367 50 0 DIAARN O=C(Nc1ccccc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000004955893 181178974 /nfs/dbraw/zinc/17/89/74/181178974.db2.gz LTUSKTNXBBMQAS-ZIAGYGMSSA-N 0 0 306.192 4.213 50 0 DIAARN CSc1ccc(Cn2cccc2C2=N[C@H](C(C)C)CO2)cc1 ZINC000004970610 181181599 /nfs/dbraw/zinc/18/15/99/181181599.db2.gz ZULMOHUGBSRWSG-INIZCTEOSA-N 0 0 314.454 4.060 50 0 DIAARN Cc1ccc2oc(-c3cc(NC(=O)C(C)C)cc(C)c3O)nc2c1 ZINC000004988496 181185788 /nfs/dbraw/zinc/18/57/88/181185788.db2.gz NEIIZMZXNUDOOB-UHFFFAOYSA-N 0 0 324.380 4.412 50 0 DIAARN CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000004988452 181186075 /nfs/dbraw/zinc/18/60/75/181186075.db2.gz IRNUBFGOOQRWRR-UHFFFAOYSA-N 0 0 324.380 4.474 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O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1c1cccs1 ZINC000015835844 182020253 /nfs/dbraw/zinc/02/02/53/182020253.db2.gz QXGQEHBLYLEBMW-AWEZNQCLSA-N 0 0 305.830 4.308 50 0 DIAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)c1 ZINC000015835864 182020346 /nfs/dbraw/zinc/02/03/46/182020346.db2.gz SFMHHRYXEMCQRI-INIZCTEOSA-N 0 0 322.364 4.220 50 0 DIAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000015837684 182021062 /nfs/dbraw/zinc/02/10/62/182021062.db2.gz SPANQFQHOYJHML-CQSZACIVSA-N 0 0 316.426 4.434 50 0 DIAARN Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1C)CC3 ZINC000015841913 182021845 /nfs/dbraw/zinc/02/18/45/182021845.db2.gz PWPYBNFTIPCCLH-UHFFFAOYSA-N 0 0 302.377 4.055 50 0 DIAARN O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)C1CCC1 ZINC000015863843 182022590 /nfs/dbraw/zinc/02/25/90/182022590.db2.gz NHGZLHQHCVZCLG-UHFFFAOYSA-N 0 0 319.408 4.087 50 0 DIAARN CCCC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000015863890 182022614 /nfs/dbraw/zinc/02/26/14/182022614.db2.gz COTRFSSAWNLNIC-UHFFFAOYSA-N 0 0 307.397 4.087 50 0 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CCCCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 ZINC000019736313 182140261 /nfs/dbraw/zinc/14/02/61/182140261.db2.gz RDMQVRDNHUPAKI-UHFFFAOYSA-N 0 0 312.413 4.399 50 0 DIAARN Cc1cc(N)ccc1NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000019736410 182140619 /nfs/dbraw/zinc/14/06/19/182140619.db2.gz FSKYJYXKKMTNOV-UHFFFAOYSA-N 0 0 312.413 4.254 50 0 DIAARN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736704 182140659 /nfs/dbraw/zinc/14/06/59/182140659.db2.gz DSILUGRZXKRXMC-NSHDSACASA-N 0 0 318.804 4.352 50 0 DIAARN CC(C)COc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000019736702 182140782 /nfs/dbraw/zinc/14/07/82/182140782.db2.gz XMPGPWQDALKYMW-UHFFFAOYSA-N 0 0 318.804 4.209 50 0 DIAARN CCOCCOc1cccc(NCc2ccccc2OCC)c1 ZINC000019738528 182141224 /nfs/dbraw/zinc/14/12/24/182141224.db2.gz GIIZHRBYSAZJEN-UHFFFAOYSA-N 0 0 315.413 4.113 50 0 DIAARN c1coc(CNc2ccccc2OCCOc2ccccc2)c1 ZINC000019738439 182141302 /nfs/dbraw/zinc/14/13/02/182141302.db2.gz MCYAXAMBTWEARW-UHFFFAOYSA-N 0 0 309.365 4.350 50 0 DIAARN 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DIAARN CCCS[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1 ZINC000020145973 182192546 /nfs/dbraw/zinc/19/25/46/182192546.db2.gz XWTULHYPJDKGEU-SFHVURJKSA-N 0 0 301.455 4.369 50 0 DIAARN CCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 ZINC000020191902 182195476 /nfs/dbraw/zinc/19/54/76/182195476.db2.gz RUSCCJUJNZOUIN-UHFFFAOYSA-N 0 0 304.434 4.345 50 0 DIAARN c1cc(Cc2noc(CCCc3c[nH]c4ccccc34)n2)cs1 ZINC000020209148 182197666 /nfs/dbraw/zinc/19/76/66/182197666.db2.gz KUIVWXXNTXNYPX-UHFFFAOYSA-N 0 0 323.421 4.379 50 0 DIAARN CC[C@H](Nc1ccccc1OC)C(=O)Nc1cc(C)ccc1C ZINC000020296737 182203865 /nfs/dbraw/zinc/20/38/65/182203865.db2.gz ZYGGWIBUJOEOBI-HNNXBMFYSA-N 0 0 312.413 4.141 50 0 DIAARN O=C(Nc1ccc(F)cc1)c1cccnc1NCc1ccccc1 ZINC000020407014 182215220 /nfs/dbraw/zinc/21/52/20/182215220.db2.gz WBHQIMVPIFCNTQ-UHFFFAOYSA-N 0 0 321.355 4.085 50 0 DIAARN O=C(c1cc2ccccc2o1)c1cccc(Br)c1 ZINC000020362287 182211996 /nfs/dbraw/zinc/21/19/96/182211996.db2.gz WVOQWMOIFZEUDW-UHFFFAOYSA-N 0 0 301.139 4.426 50 0 DIAARN Cc1scc(C(=O)NCc2ccccn2)c1-c1ccc(C)cc1 ZINC000020368433 182212537 /nfs/dbraw/zinc/21/25/37/182212537.db2.gz MRAHIDBGLNYBLI-UHFFFAOYSA-N 0 0 322.433 4.357 50 0 DIAARN O=C(Nc1ccccc1)Nc1ccc(F)cc1Br ZINC000020430668 182216271 /nfs/dbraw/zinc/21/62/71/182216271.db2.gz OWTKEROKRSOXJJ-UHFFFAOYSA-N 0 0 309.138 4.232 50 0 DIAARN CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000020451180 182218537 /nfs/dbraw/zinc/21/85/37/182218537.db2.gz ILYVKHBVNJJOIG-UHFFFAOYSA-N 0 0 303.789 4.057 50 0 DIAARN CNc1nccc(C(F)(F)F)c1C(=O)Nc1c(C)cccc1C ZINC000020458669 182220017 /nfs/dbraw/zinc/22/00/17/182220017.db2.gz WBOBWHHPOPVLDK-UHFFFAOYSA-N 0 0 323.318 4.011 50 0 DIAARN Cc1ccc(-c2c(=O)c(=O)c2NC2CCCCCCC2)cc1C ZINC000020509501 182225839 /nfs/dbraw/zinc/22/58/39/182225839.db2.gz LSNHROSPLMTJRG-UHFFFAOYSA-N 0 0 311.425 4.091 50 0 DIAARN CC(C)c1ccc(-c2c(=O)c(=O)c2N[C@H]2CCCC[C@@H]2C)cc1 ZINC000020510269 182226108 /nfs/dbraw/zinc/22/61/08/182226108.db2.gz ODXIXKZDBDQMRA-BBRMVZONSA-N 0 0 311.425 4.064 50 0 DIAARN Brc1ccc(-c2ccc(NC3CCCC3)nn2)cc1 ZINC000020720660 182243414 /nfs/dbraw/zinc/24/34/14/182243414.db2.gz UDVXUTWXXNTQKY-UHFFFAOYSA-N 0 0 318.218 4.261 50 0 DIAARN Clc1ccccc1-c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 ZINC000020721249 182243730 /nfs/dbraw/zinc/24/37/30/182243730.db2.gz KXFCLESZGVAQAS-UHFFFAOYSA-N 0 0 322.755 4.447 50 0 DIAARN Cc1ccccc1NC(=O)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575480 182234608 /nfs/dbraw/zinc/23/46/08/182234608.db2.gz NWOWTANHJMRLAH-UHFFFAOYSA-N 0 0 301.349 4.277 50 0 DIAARN Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000020603137 182237143 /nfs/dbraw/zinc/23/71/43/182237143.db2.gz MZSKCPGYNBSVHA-CYBMUJFWSA-N 0 0 305.809 4.052 50 0 DIAARN Cn1ncc2c1nc(-c1ccc(Cl)cc1)cc2C(F)(F)F ZINC000020604884 182237214 /nfs/dbraw/zinc/23/72/14/182237214.db2.gz PCPBHSKMFZGKBY-UHFFFAOYSA-N 0 0 311.694 4.308 50 0 DIAARN CCn1ncc2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000020603645 182237244 /nfs/dbraw/zinc/23/72/44/182237244.db2.gz JGYRACPAZKPJES-UHFFFAOYSA-N 0 0 303.312 4.064 50 0 DIAARN Cc1cc(C)n([C@H](C)CC(=O)Nc2cccc(Cl)c2C)n1 ZINC000020603133 182237256 /nfs/dbraw/zinc/23/72/56/182237256.db2.gz UOKITJVYPHDFKG-GFCCVEGCSA-N 0 0 305.809 4.052 50 0 DIAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)cc1 ZINC000020605176 182237262 /nfs/dbraw/zinc/23/72/62/182237262.db2.gz YMLYQUGVBRGQRO-UHFFFAOYSA-N 0 0 305.303 4.217 50 0 DIAARN Cc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(Cl)c2C)n1 ZINC000020603131 182237277 /nfs/dbraw/zinc/23/72/77/182237277.db2.gz UOKITJVYPHDFKG-LBPRGKRZSA-N 0 0 305.809 4.052 50 0 DIAARN Cc1cc(=O)oc2c1ccc1c2CN([C@H](C)c2ccccc2)CO1 ZINC000020610182 182238765 /nfs/dbraw/zinc/23/87/65/182238765.db2.gz RVCNAEPNLZBBQS-CQSZACIVSA-N 0 0 321.376 4.015 50 0 biogenic DIAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C ZINC000020900399 182252976 /nfs/dbraw/zinc/25/29/76/182252976.db2.gz YVPJZGCUZDNRCE-QGZVFWFLSA-N 0 0 311.429 4.494 50 0 DIAARN CCc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000020914225 182253245 /nfs/dbraw/zinc/25/32/45/182253245.db2.gz PXKJRBPXLOATIM-UHFFFAOYSA-N 0 0 313.372 4.298 50 0 DIAARN c1[nH]c2ccccc2c1CCCc1nc(-c2ccccc2)no1 ZINC000020914531 182253323 /nfs/dbraw/zinc/25/33/23/182253323.db2.gz QNKAYNMAUHTXKL-UHFFFAOYSA-N 0 0 303.365 4.393 50 0 DIAARN COc1ccc(-c2ncnc3scc(C)c32)c2cccnc12 ZINC000020910436 182253326 /nfs/dbraw/zinc/25/33/26/182253326.db2.gz KOMPIFPUWNEUIN-UHFFFAOYSA-N 0 0 307.378 4.224 50 0 DIAARN Cc1ccccc1-c1nnc(Cc2ccc(F)cc2Cl)o1 ZINC000020852295 182249426 /nfs/dbraw/zinc/24/94/26/182249426.db2.gz JMJKYNGRPGNHKU-UHFFFAOYSA-N 0 0 302.736 4.428 50 0 DIAARN COc1ccc(-c2noc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000020861628 182249835 /nfs/dbraw/zinc/24/98/35/182249835.db2.gz ARVUZERNHBQNOL-UHFFFAOYSA-N 0 0 301.733 4.142 50 0 DIAARN Cc1ccc(OCCSc2nnc(-c3ccccc3)o2)cc1 ZINC000020897121 182252395 /nfs/dbraw/zinc/25/23/95/182252395.db2.gz XYBYSUMQKMNZDO-UHFFFAOYSA-N 0 0 312.394 4.216 50 0 DIAARN COc1ccc(C)cc1NC(=O)C[C@@H](c1ccco1)n1cccc1 ZINC000020997414 182257911 /nfs/dbraw/zinc/25/79/11/182257911.db2.gz SWMOEQUNHFNUES-INIZCTEOSA-N 0 0 324.380 4.016 50 0 DIAARN O=C(C[C@@H](c1ccco1)n1cccc1)Nc1ccc(Cl)cc1 ZINC000020997277 182258215 /nfs/dbraw/zinc/25/82/15/182258215.db2.gz CULXVNDBDBJBOA-HNNXBMFYSA-N 0 0 314.772 4.353 50 0 DIAARN COCc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000020998978 182258777 /nfs/dbraw/zinc/25/87/77/182258777.db2.gz HWFGAWRFLUBUOI-UHFFFAOYSA-N 0 0 318.417 4.184 50 0 DIAARN Cc1cccc([C@@H](CC(=O)Nc2ncccc2C)n2cccc2)c1 ZINC000020998867 182258930 /nfs/dbraw/zinc/25/89/30/182258930.db2.gz GOJMQAYHZJRYJG-GOSISDBHSA-N 0 0 319.408 4.118 50 0 DIAARN Cc1ccccc1[C@H](CC(=O)NCc1ccccc1)n1cccc1 ZINC000020998799 182258946 /nfs/dbraw/zinc/25/89/46/182258946.db2.gz IIWOXFRBDUMJFK-FQEVSTJZSA-N 0 0 318.420 4.092 50 0 DIAARN Cc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1 ZINC000021016285 182260631 /nfs/dbraw/zinc/26/06/31/182260631.db2.gz HFYTUUPVHPRKIO-IBGZPJMESA-N 0 0 304.393 4.415 50 0 DIAARN O=C(COC(=O)c1ccc(-c2ccccc2)s1)c1ccccc1 ZINC000021367611 182273647 /nfs/dbraw/zinc/27/36/47/182273647.db2.gz IGBDXZGWMJWMFL-UHFFFAOYSA-N 0 0 322.385 4.455 50 0 DIAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(F)c1 ZINC000021103860 182265375 /nfs/dbraw/zinc/26/53/75/182265375.db2.gz UBGPTENPKIKQCK-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN Cc1ccc(NC(=O)NCCCSCc2ccco2)cc1 ZINC000021148891 182266804 /nfs/dbraw/zinc/26/68/04/182266804.db2.gz IAVORCSEBQZBSI-UHFFFAOYSA-N 0 0 304.415 4.033 50 0 DIAARN CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000021203798 182269102 /nfs/dbraw/zinc/26/91/02/182269102.db2.gz DNLNBBFQDZTFCU-OAHLLOKOSA-N 0 0 312.800 4.089 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000021358809 182272916 /nfs/dbraw/zinc/27/29/16/182272916.db2.gz HRFOYEYQIAIWRH-CYBMUJFWSA-N 0 0 324.405 4.216 50 0 DIAARN CCOc1ccc(-c2[nH]nc3c2cnc2ccc(C)cc32)cc1 ZINC000021365411 182273059 /nfs/dbraw/zinc/27/30/59/182273059.db2.gz GLWSACJQVJLWCE-UHFFFAOYSA-N 0 0 303.365 4.485 50 0 DIAARN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000021720739 182286056 /nfs/dbraw/zinc/28/60/56/182286056.db2.gz JNMCAQRGVLVZFL-HNNXBMFYSA-N 0 0 306.356 4.161 50 0 DIAARN CCCc1cc([C@@H]2CCCN2Cc2cccc(F)c2F)no1 ZINC000021720123 182286218 /nfs/dbraw/zinc/28/62/18/182286218.db2.gz CKXIJMUJIOUXDY-INIZCTEOSA-N 0 0 306.356 4.242 50 0 DIAARN CCCOc1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000021720364 182286342 /nfs/dbraw/zinc/28/63/42/182286342.db2.gz SVZIYCQCLSUAOI-GOSISDBHSA-N 0 0 300.402 4.109 50 0 DIAARN Cc1cc2[nH]c(C(=O)NCC3(c4ccccc4)CC3)cc2c(C)c1 ZINC000021525337 182278548 /nfs/dbraw/zinc/27/85/48/182278548.db2.gz ICQDTQWTWXYFFE-UHFFFAOYSA-N 0 0 318.420 4.246 50 0 DIAARN O=C(Nc1ccccc1)c1ccnc(Nc2ccc(F)cc2)c1 ZINC000021533579 182279019 /nfs/dbraw/zinc/27/90/19/182279019.db2.gz VYKHTEGWEPOCCF-UHFFFAOYSA-N 0 0 307.328 4.217 50 0 DIAARN Cc1cc([C@H]2CCCN2Cc2ccc(OC(C)C)cc2)no1 ZINC000021720348 182286539 /nfs/dbraw/zinc/28/65/39/182286539.db2.gz NZXFHTZCCGFOCV-GOSISDBHSA-N 0 0 300.402 4.107 50 0 DIAARN CC(C)c1cc([C@@H]2CCCN2Cc2ccc(F)c(F)c2)no1 ZINC000021719746 182286602 /nfs/dbraw/zinc/28/66/02/182286602.db2.gz RWNMNVNBCWJOGS-INIZCTEOSA-N 0 0 306.356 4.413 50 0 DIAARN Cc1cn2c(nc(CSc3cccc(Cl)c3)cc2=O)s1 ZINC000021650864 182282638 /nfs/dbraw/zinc/28/26/38/182282638.db2.gz PQBDEIZRKPBNGP-UHFFFAOYSA-N 0 0 322.842 4.010 50 0 DIAARN CN(CC(=O)c1c[nH]c2ccccc12)Cc1ccc(Cl)s1 ZINC000021670970 182283549 /nfs/dbraw/zinc/28/35/49/182283549.db2.gz PETCNDHAMAWLQO-UHFFFAOYSA-N 0 0 318.829 4.198 50 0 DIAARN COc1ccccc1C1(CNC(=O)C2CCCCC2)CCCC1 ZINC000021692303 182283685 /nfs/dbraw/zinc/28/36/85/182283685.db2.gz YPFYODHDZNSBSE-UHFFFAOYSA-N 0 0 315.457 4.204 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695729 182283938 /nfs/dbraw/zinc/28/39/38/182283938.db2.gz NYNYRDXHMFWXFA-UHFFFAOYSA-N 0 0 319.763 4.158 50 0 DIAARN CSc1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695625 182284185 /nfs/dbraw/zinc/28/41/85/182284185.db2.gz ZHQXFGVPSHAMQR-UHFFFAOYSA-N 0 0 301.386 4.218 50 0 DIAARN CC[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccccc1 ZINC000021705727 182284290 /nfs/dbraw/zinc/28/42/90/182284290.db2.gz VXZDRBKXOKADMB-AWEZNQCLSA-N 0 0 300.402 4.030 50 0 DIAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCC(C)C ZINC000021787055 182289228 /nfs/dbraw/zinc/28/92/28/182289228.db2.gz PPRHDFVHBDULRH-QGZVFWFLSA-N 0 0 313.445 4.156 50 0 DIAARN O=C(OCc1sc2ccccc2c1Cl)c1ccccn1 ZINC000021837699 182294969 /nfs/dbraw/zinc/29/49/69/182294969.db2.gz KPQFUHLCPWXOAU-UHFFFAOYSA-N 0 0 303.770 4.307 50 0 DIAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000021836777 182294989 /nfs/dbraw/zinc/29/49/89/182294989.db2.gz NTVWKHQNDBAXTB-ZDUSSCGKSA-N 0 0 310.372 4.069 50 0 DIAARN COc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1C ZINC000021877011 182296095 /nfs/dbraw/zinc/29/60/95/182296095.db2.gz KGNGSMADNBEORR-UHFFFAOYSA-N 0 0 313.397 4.388 50 0 DIAARN O=C(CCc1ccsc1)Nc1cccc(Br)c1 ZINC000021887316 182296400 /nfs/dbraw/zinc/29/64/00/182296400.db2.gz JMKGKNJFAJWINL-UHFFFAOYSA-N 0 0 310.216 4.082 50 0 DIAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NC1CCCC1 ZINC000021890208 182296630 /nfs/dbraw/zinc/29/66/30/182296630.db2.gz BTLMLHVCKQDECQ-QGZVFWFLSA-N 0 0 323.440 4.396 50 0 DIAARN CCOc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000021898737 182297182 /nfs/dbraw/zinc/29/71/82/182297182.db2.gz SLNNZIDHDVIYLT-OAHLLOKOSA-N 0 0 313.422 4.052 50 0 DIAARN CC(C)c1cc(NC(=O)CN(C)c2ccc3ccccc3c2)on1 ZINC000022007561 182303612 /nfs/dbraw/zinc/30/36/12/182303612.db2.gz QYTJEFYJOJPKDW-UHFFFAOYSA-N 0 0 323.396 4.026 50 0 DIAARN CC(C)=C[C@@H]1[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C ZINC000022006559 182303675 /nfs/dbraw/zinc/30/36/75/182303675.db2.gz KMRRSZRBKNWLFC-SJLPKXTDSA-N 0 0 310.441 4.065 50 0 DIAARN CCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21 ZINC000021934762 182298913 /nfs/dbraw/zinc/29/89/13/182298913.db2.gz LISLWHWXPFMTPS-UHFFFAOYSA-N 0 0 319.408 4.135 50 0 DIAARN CN(Cc1ccc2ccccc2c1)C(=O)[C@]1(C)CC1(Cl)Cl ZINC000021926891 182299166 /nfs/dbraw/zinc/29/91/66/182299166.db2.gz WVHWZWLYVNTJNO-INIZCTEOSA-N 0 0 322.235 4.382 50 0 DIAARN CC(C)=CC(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000022335929 182318949 /nfs/dbraw/zinc/31/89/49/182318949.db2.gz JEKOUCXLSKWGPQ-OAQYLSRUSA-N 0 0 305.421 4.435 50 0 DIAARN CCCOc1ccccc1NC(=O)CCn1ccc2ccccc21 ZINC000022355732 182319407 /nfs/dbraw/zinc/31/94/07/182319407.db2.gz UEIGVMOMRJVDQY-UHFFFAOYSA-N 0 0 322.408 4.459 50 0 DIAARN CCCc1cc(C(=O)OCC)c(NC(=O)c2cccs2)s1 ZINC000022353028 182319468 /nfs/dbraw/zinc/31/94/68/182319468.db2.gz LCBSTYGBPGFGPD-UHFFFAOYSA-N 0 0 323.439 4.191 50 0 DIAARN COc1ccc(Cl)cc1COc1cccc2c1CCC2=O ZINC000022187587 182312788 /nfs/dbraw/zinc/31/27/88/182312788.db2.gz ZIKVVLNMPHEVSY-UHFFFAOYSA-N 0 0 302.757 4.057 50 0 DIAARN O=C(COC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000022536839 182325808 /nfs/dbraw/zinc/32/58/08/182325808.db2.gz APLSLRMNLOXCKS-UHFFFAOYSA-N 0 0 322.385 4.455 50 0 DIAARN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000022552113 182326075 /nfs/dbraw/zinc/32/60/75/182326075.db2.gz JIMFQCNMAGDHGX-GUDVDZBRSA-N 0 0 309.384 4.293 50 0 DIAARN Cc1cccc(COc2ccccc2C(=O)Nc2ccccn2)c1 ZINC000022691167 182331133 /nfs/dbraw/zinc/33/11/33/182331133.db2.gz BSIAXORANCZGGV-UHFFFAOYSA-N 0 0 318.376 4.221 50 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320.776 4.310 50 0 DIAARN COc1ccc(NCc2c(OC)ccc3ccccc32)cc1OC ZINC000023282465 182355641 /nfs/dbraw/zinc/35/56/41/182355641.db2.gz IZRPWPWLFPTLHY-UHFFFAOYSA-N 0 0 323.392 4.478 50 0 DIAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)nc3)nc21 ZINC000023268595 182355960 /nfs/dbraw/zinc/35/59/60/182355960.db2.gz KWJSADGZHKFWFL-UHFFFAOYSA-N 0 0 317.801 4.214 50 0 DIAARN CCc1noc(C)c1C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000023030269 182344886 /nfs/dbraw/zinc/34/48/86/182344886.db2.gz UFUYYUUUJBJJRM-UHFFFAOYSA-N 0 0 315.417 4.032 50 0 DIAARN CC(C)c1cc(C(=O)OCc2ccccn2)c2ccccc2n1 ZINC000023038030 182345009 /nfs/dbraw/zinc/34/50/09/182345009.db2.gz FAGHTZHGNSTRMK-UHFFFAOYSA-N 0 0 306.365 4.110 50 0 DIAARN c1cnn(-c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)c1 ZINC000023114653 182348077 /nfs/dbraw/zinc/34/80/77/182348077.db2.gz VSPKAZSZQTTYBT-UHFFFAOYSA-N 0 0 313.364 4.073 50 0 DIAARN FC(F)(F)c1cccc(NC(=S)c2nc3ccccc3[nH]2)c1 ZINC000023118606 182348762 /nfs/dbraw/zinc/34/87/62/182348762.db2.gz YDPBPJUEXQGXJT-UHFFFAOYSA-N 0 0 321.327 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O=C(CSc1ccc(F)cc1)N(Cc1ccsc1)C1CC1 ZINC000044446583 183409541 /nfs/dbraw/zinc/40/95/41/183409541.db2.gz VTVQQPMGMSSLOW-UHFFFAOYSA-N 0 0 321.442 4.171 50 0 DIAARN COc1cccc(C(=O)c2cccc(Oc3ccccc3)c2)n1 ZINC000045028736 183476679 /nfs/dbraw/zinc/47/66/79/183476679.db2.gz ZFGRSZRUROHYLP-UHFFFAOYSA-N 0 0 305.333 4.114 50 0 DIAARN COc1cccc(NC(=O)CS[C@H](C)c2ccc(F)cc2)c1 ZINC000045091037 183480923 /nfs/dbraw/zinc/48/09/23/183480923.db2.gz CKTFNUXHZWBODU-GFCCVEGCSA-N 0 0 319.401 4.267 50 0 DIAARN O=C(Nc1cccc(COCc2ccco2)c1)NC1CCCC1 ZINC000047602576 183597325 /nfs/dbraw/zinc/59/73/25/183597325.db2.gz PBWPFBUXVKISGX-UHFFFAOYSA-N 0 0 314.385 4.061 50 0 DIAARN Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccccc3)cnn21 ZINC000105896535 194162438 /nfs/dbraw/zinc/16/24/38/194162438.db2.gz AZKMTPGAPQWVBH-UHFFFAOYSA-N 0 0 320.783 4.129 50 0 DIAARN Cc1cc2ccccc2n1CC(=O)N[C@H](C)Cc1ccccc1C ZINC000048285850 183638251 /nfs/dbraw/zinc/63/82/51/183638251.db2.gz FZGTVDZUEQOQFJ-MRXNPFEDSA-N 0 0 320.436 4.006 50 0 DIAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CCCCC1 ZINC000048255642 183633325 /nfs/dbraw/zinc/63/33/25/183633325.db2.gz RNLJAAXMRJXJJR-UHFFFAOYSA-N 0 0 317.433 4.044 50 0 DIAARN CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000048301917 183641407 /nfs/dbraw/zinc/64/14/07/183641407.db2.gz NRHUOAWRVOBDDP-XXQUSICCSA-N 0 0 319.445 4.046 50 0 DIAARN CC[C@H](C)[C@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000048301920 183641591 /nfs/dbraw/zinc/64/15/91/183641591.db2.gz NRHUOAWRVOBDDP-WWUQSUGHSA-N 0 0 319.445 4.046 50 0 DIAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000106644322 194240064 /nfs/dbraw/zinc/24/00/64/194240064.db2.gz MBHTVIULRIQAPH-JLSDUUJJSA-N 0 0 309.409 4.018 50 0 DIAARN CC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000048404195 183656332 /nfs/dbraw/zinc/65/63/32/183656332.db2.gz KXWRALKIRNASMG-UHFFFAOYSA-N 0 0 305.171 4.231 50 0 DIAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)CCO3)C1(C)C ZINC000106757906 194250163 /nfs/dbraw/zinc/25/01/63/194250163.db2.gz 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/nfs/dbraw/zinc/31/39/70/184313970.db2.gz WGOORSVIORPJLS-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN COc1ccc(NC(=O)c2ccc(-c3ccsc3)nc2)cc1 ZINC000065173660 184313971 /nfs/dbraw/zinc/31/39/71/184313971.db2.gz WHEVUKPFQCQEGP-UHFFFAOYSA-N 0 0 310.378 4.071 50 0 DIAARN CCSc1ccc(-c2cccc(NC(=O)CC(C)C)c2)nn1 ZINC000065185890 184314176 /nfs/dbraw/zinc/31/41/76/184314176.db2.gz ULNRBSLNDLXCPP-UHFFFAOYSA-N 0 0 315.442 4.240 50 0 DIAARN Cc1ccc(-c2nocc2CCC(=O)NC2CCCCC2)cc1 ZINC000065213357 184314829 /nfs/dbraw/zinc/31/48/29/184314829.db2.gz BFNSQFDQJTVTKI-UHFFFAOYSA-N 0 0 312.413 4.032 50 0 DIAARN CC(C)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000064580938 184301290 /nfs/dbraw/zinc/30/12/90/184301290.db2.gz UXDBVXHMVDMLBD-UHFFFAOYSA-N 0 0 323.371 4.387 50 0 DIAARN Cc1ccc(-c2nc(C(=O)NC3CCC(C)CC3)cs2)s1 ZINC000064676495 184302139 /nfs/dbraw/zinc/30/21/39/184302139.db2.gz MTEPOFXSUUEODB-UHFFFAOYSA-N 0 0 320.483 4.489 50 0 DIAARN Cc1nc(-c2ccc(-c3noc(-c4ccco4)n3)cc2)cs1 ZINC000064669038 184302211 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/nfs/dbraw/zinc/31/75/69/184317569.db2.gz CGWVJRVQTZAVMA-UHFFFAOYSA-N 0 0 324.409 4.397 50 0 DIAARN CCCn1cnc2ccc(-c3noc(-c4cccc(F)c4)n3)cc21 ZINC000065240671 184317671 /nfs/dbraw/zinc/31/76/71/184317671.db2.gz UEQDKKYBHKGVRJ-UHFFFAOYSA-N 0 0 322.343 4.302 50 0 DIAARN COc1ccc(-c2cccc3c2CCN(C(=O)C(C)C)[C@@H]3C)cc1 ZINC000065293112 184324021 /nfs/dbraw/zinc/32/40/21/184324021.db2.gz UIRKNMUMNKFGJM-OAHLLOKOSA-N 0 0 323.436 4.464 50 0 DIAARN c1cc(-c2ccnc3nc(SCc4ccccc4)nn32)cs1 ZINC000065364732 184328927 /nfs/dbraw/zinc/32/89/27/184328927.db2.gz JKQGCKFLYKAGJJ-UHFFFAOYSA-N 0 0 324.434 4.145 50 0 DIAARN CC(=O)N[C@H]1C[C@@H](CC(C)C)O[C@@H](c2ccc(Cl)cc2)C1 ZINC000065383942 184332394 /nfs/dbraw/zinc/33/23/94/184332394.db2.gz CAROBMYFUXJONT-GVDBMIGSSA-N 0 0 309.837 4.111 50 0 DIAARN CC(C)c1nccn1[C@H](C)c1nc(C2CC2)nn1-c1ccccc1 ZINC000065408613 184339309 /nfs/dbraw/zinc/33/93/09/184339309.db2.gz NWQWXLYSFDAYMV-CQSZACIVSA-N 0 0 321.428 4.074 50 0 DIAARN CC(C)c1nc(-c2ccc3ccccc3n2)n(-c2ccccn2)n1 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CC(C)(C)c1ncc(C(=O)NC(C)(C)c2ccccc2)s1 ZINC000065402385 184337463 /nfs/dbraw/zinc/33/74/63/184337463.db2.gz IUXFDEQLWQZDAB-UHFFFAOYSA-N 0 0 302.443 4.106 50 0 DIAARN CC(C)(C)C(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000065531188 184360692 /nfs/dbraw/zinc/36/06/92/184360692.db2.gz MJSWNNBJKUASOP-CYBMUJFWSA-N 0 0 309.400 4.182 50 0 DIAARN Cc1ccc([C@H](C)N(C)Cc2noc(-c3cccs3)n2)s1 ZINC000065538519 184363378 /nfs/dbraw/zinc/36/33/78/184363378.db2.gz OGXBEUFLHRXQQW-NSHDSACASA-N 0 0 319.455 4.361 50 0 DIAARN C[C@@H](CNC(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 ZINC000065554423 184365734 /nfs/dbraw/zinc/36/57/34/184365734.db2.gz NBCWXYRRTPPVPO-GETOMWPZSA-N 0 0 322.433 4.229 50 0 DIAARN COc1ccc2cc([C@H](C)C(=O)N(C)C3CCCC3)ccc2c1 ZINC000065591146 184369739 /nfs/dbraw/zinc/36/97/39/184369739.db2.gz ZSPPGYWJYLXUBM-AWEZNQCLSA-N 0 0 311.425 4.353 50 0 DIAARN C[C@@H](c1cccnc1)N(C(=O)c1cccc(Cl)c1)C1CC1 ZINC000065605536 184371819 /nfs/dbraw/zinc/37/18/19/184371819.db2.gz HTARAFSAKRSCPL-LBPRGKRZSA-N 0 0 300.789 4.101 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ARZVGMGJMKRUQG-UHFFFAOYSA-N 0 0 321.336 4.116 50 0 DIAARN CCc1ccc(-n2cc3[nH]c4ccccc4c(C)c-3c2=O)cc1 ZINC000096026320 256552594 /nfs/dbraw/zinc/55/25/94/256552594.db2.gz RNAOBQMUDIHFKX-UHFFFAOYSA-N 0 0 302.377 4.266 50 0 DIAARN C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 ZINC000008181731 257230194 /nfs/dbraw/zinc/23/01/94/257230194.db2.gz FPHURQNSZYLRAX-OAHLLOKOSA-N 0 0 321.376 4.350 50 0 DIAARN CN(C(=O)/C=C\c1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000096988794 257212287 /nfs/dbraw/zinc/21/22/87/257212287.db2.gz YOWBKXHTZJHAAS-FWFZHJKVSA-N 0 0 311.812 4.499 50 0 DIAARN CCc1ccc2occ(C(=O)N3CC[C@H](c4ccncc4)C3)c2c1 ZINC000521394424 257241454 /nfs/dbraw/zinc/24/14/54/257241454.db2.gz PUFRHMGJIQQPTD-INIZCTEOSA-N 0 0 320.392 4.020 50 0 DIAARN Cc1c(C(=O)N2CCCC[C@@H]2CCc2cccs2)ccn1C ZINC000426707534 257243653 /nfs/dbraw/zinc/24/36/53/257243653.db2.gz WPXQMYYVEXIQJQ-OAHLLOKOSA-N 0 0 316.470 4.023 50 0 DIAARN CCCCCCOc1ccc(-c2cc(=O)[nH]c(C)n2)c(F)c1F ZINC000426613654 257244921 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257256338 /nfs/dbraw/zinc/25/63/38/257256338.db2.gz XYVABOOKHOZFDP-VIFPVBQESA-N 0 0 321.298 4.049 50 0 DIAARN CCOc1ccccc1C(=O)Nc1cccc(Br)c1 ZINC000000129389 257266452 /nfs/dbraw/zinc/26/64/52/257266452.db2.gz YXGCADISAGXVJH-UHFFFAOYSA-N 0 0 320.186 4.100 50 0 DIAARN CCOc1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 ZINC000000136091 257266494 /nfs/dbraw/zinc/26/64/94/257266494.db2.gz DNUFCRQFYSMRRQ-DHZHZOJOSA-N 0 0 324.405 4.347 50 0 DIAARN CC(C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071805648 184847752 /nfs/dbraw/zinc/84/77/52/184847752.db2.gz WJIKDYDWSGQTPC-UHFFFAOYSA-N 0 0 314.229 4.254 50 0 DIAARN NC(=O)Nc1ccc(-c2csc(CCc3ccccc3)n2)cc1 ZINC000072014469 184921274 /nfs/dbraw/zinc/92/12/74/184921274.db2.gz DIVJQNXBJICNSM-UHFFFAOYSA-N 0 0 323.421 4.086 50 0 DIAARN CC(=O)N(C)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000071902620 184896713 /nfs/dbraw/zinc/89/67/13/184896713.db2.gz BPNGBSFPBPIMIM-LLVKDONJSA-N 0 0 304.340 4.121 50 0 DIAARN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1c(F)cccc1F ZINC000071902700 184896816 /nfs/dbraw/zinc/89/68/16/184896816.db2.gz RCBMQPGQJRAZTH-LLVKDONJSA-N 0 0 316.351 4.047 50 0 DIAARN CCCOc1cccc(NC(=O)Nc2c(C)noc2C2CC2)c1 ZINC000121828424 195356347 /nfs/dbraw/zinc/35/63/47/195356347.db2.gz YMCVUIVWJPTDKK-UHFFFAOYSA-N 0 0 315.373 4.293 50 0 DIAARN Cc1nnc(CN(CC(C)C)[C@H](C)c2ccccc2Cl)o1 ZINC000284943865 131124368 /nfs/dbraw/zinc/12/43/68/131124368.db2.gz WRZRKHIZXDPBMQ-GFCCVEGCSA-N 0 0 307.825 4.251 50 0 DIAARN Cc1nnc(CN(CC(C)C)[C@@H](C)c2ccccc2Cl)o1 ZINC000284943872 131124485 /nfs/dbraw/zinc/12/44/85/131124485.db2.gz WRZRKHIZXDPBMQ-LBPRGKRZSA-N 0 0 307.825 4.251 50 0 DIAARN c1ccc(Cc2nnc(N3CCCCC3)c3ccccc23)cc1 ZINC000000236047 134432614 /nfs/dbraw/zinc/43/26/14/134432614.db2.gz NELQVCLPPTUHMK-UHFFFAOYSA-N 0 0 303.409 4.211 50 0 DIAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccncc1 ZINC000000314488 134435261 /nfs/dbraw/zinc/43/52/61/134435261.db2.gz RAXRPTAUAYBBLM-LJQANCHMSA-N 0 0 315.376 4.161 50 0 DIAARN COc1ccc(OC)c2c(C)cc(N3C[C@H](C)C[C@H](C)C3)nc12 ZINC000004997542 134467223 /nfs/dbraw/zinc/46/72/23/134467223.db2.gz DNMAGEZQKGZFNA-BETUJISGSA-N 0 0 314.429 4.043 50 0 DIAARN O=C(CN1c2ccccc2Sc2ccccc21)N1CCCCC1 ZINC000006508244 134475423 /nfs/dbraw/zinc/47/54/23/134475423.db2.gz IFBBGCYVKQZZOF-UHFFFAOYSA-N 0 0 324.449 4.302 50 0 DIAARN CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2F)c2ccccc2O1 ZINC000006845170 134480201 /nfs/dbraw/zinc/48/02/01/134480201.db2.gz HGABXHHCUMUASF-GFCCVEGCSA-N 0 0 318.323 4.174 50 0 DIAARN O=C(c1ccc(N2CCCc3ccccc32)s1)N1CCCC1 ZINC000015732256 134525714 /nfs/dbraw/zinc/52/57/14/134525714.db2.gz DLLDUBCAKJIOHJ-UHFFFAOYSA-N 0 0 312.438 4.068 50 0 DIAARN Cc1ccc(C2CC(=O)N(c3cccc(Cl)c3)C(=O)C2)cc1 ZINC000032985320 134684984 /nfs/dbraw/zinc/68/49/84/134684984.db2.gz JPTOWBJZMKPFIS-UHFFFAOYSA-N 0 0 313.784 4.086 50 0 DIAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CCCCC1 ZINC000040216881 134710608 /nfs/dbraw/zinc/71/06/08/134710608.db2.gz BTGFXAKWKYLGOF-UHFFFAOYSA-N 0 0 320.440 4.312 50 0 DIAARN Cc1ccc(C(C)C)c(OCC(=O)NC2CCCCCC2)c1 ZINC000003362670 262522218 /nfs/dbraw/zinc/52/22/18/262522218.db2.gz YUOCMBQQXFREIT-UHFFFAOYSA-N 0 0 303.446 4.336 50 0 DIAARN Cc1ccc(C)c(C(=O)CSc2ncnc3ccccc32)c1 ZINC000003527571 262526747 /nfs/dbraw/zinc/52/67/47/262526747.db2.gz HHQUZYKPFHURJM-UHFFFAOYSA-N 0 0 308.406 4.222 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000401810 262528828 /nfs/dbraw/zinc/52/88/28/262528828.db2.gz ZPSQHFJVDAHUOB-UHFFFAOYSA-N 0 0 321.739 4.082 50 0 DIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000509605 262530377 /nfs/dbraw/zinc/53/03/77/262530377.db2.gz FZUXOTLFMCOWKG-UHFFFAOYSA-N 0 0 312.372 4.361 50 0 DIAARN Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000000512860 262530396 /nfs/dbraw/zinc/53/03/96/262530396.db2.gz CQIOBMIMZRJEFM-UHFFFAOYSA-N 0 0 310.397 4.150 50 0 DIAARN COc1ccc([C@@H](C)NC(=O)Cc2cccc3ccccc32)cc1 ZINC000000059734 331458946 /nfs/dbraw/zinc/45/89/46/331458946.db2.gz BNCZVBBMBGAYCM-OAHLLOKOSA-N 0 0 319.404 4.268 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C ZINC000001066247 331465412 /nfs/dbraw/zinc/46/54/12/331465412.db2.gz JMIIHERMKLHIMM-GFCCVEGCSA-N 0 0 319.788 4.063 50 0 DIAARN Brc1csc(Br)c1Br ZINC000002168512 331469077 /nfs/dbraw/zinc/46/90/77/331469077.db2.gz ZDXQFDMBZUQHOM-UHFFFAOYSA-N 0 0 320.831 4.036 50 0 DIAARN COc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1OC ZINC000002832955 331472616 /nfs/dbraw/zinc/47/26/16/331472616.db2.gz MDUCYDNHNVHNPZ-UHFFFAOYSA-N 0 0 313.397 4.254 50 0 DIAARN Cc1cccc(N(C(=O)c2ccccc2)C2=NC[C@@H](C)S2)c1 ZINC000003321799 331479717 /nfs/dbraw/zinc/47/97/17/331479717.db2.gz YRQWYCOYKQEEQU-CQSZACIVSA-N 0 0 310.422 4.133 50 0 DIAARN COc1ccccc1OCCC(=O)Nc1ccc(C)cc1Cl ZINC000007061924 331501043 /nfs/dbraw/zinc/50/10/43/331501043.db2.gz BOQKXFCATQAXGO-UHFFFAOYSA-N 0 0 319.788 4.065 50 0 DIAARN C[C@@H]1CCN(C(=O)c2ccc(F)cc2)c2ccccc2S1 ZINC000012779798 331535290 /nfs/dbraw/zinc/53/52/90/331535290.db2.gz JCDWVUVBYUBWBU-GFCCVEGCSA-N 0 0 301.386 4.357 50 0 DIAARN C[C@H](Oc1ccc2ccccc2c1)c1nnc([C@H]2CCCOC2)o1 ZINC000521393875 331567479 /nfs/dbraw/zinc/56/74/79/331567479.db2.gz FKWFHJJFNHIRGE-BBRMVZONSA-N 0 0 324.380 4.257 50 0 DIAARN O=C(Nc1nnc(C2CCCC2)s1)c1cccc(Cl)c1 ZINC000017247893 331573917 /nfs/dbraw/zinc/57/39/17/331573917.db2.gz OPWWXIMRFQCBAO-UHFFFAOYSA-N 0 0 307.806 4.101 50 0 DIAARN O=C1[C@@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000040156577 331681000 /nfs/dbraw/zinc/68/10/00/331681000.db2.gz ZAJJPROABUPSOI-PMACEKPBSA-N 0 0 315.372 4.222 50 0 DIAARN CC(C)(C)OC(=O)N1CCC2(CNc3ccc(Cl)cc32)CC1 ZINC000051943314 331759129 /nfs/dbraw/zinc/75/91/29/331759129.db2.gz YONFPBXPHBCLTK-UHFFFAOYSA-N 0 0 322.836 4.034 50 0 DIAARN Cc1nnc(-c2cccc(N[C@H](C)CSC(C)(C)C)c2)o1 ZINC000097046000 332191946 /nfs/dbraw/zinc/19/19/46/332191946.db2.gz WEZSRNJYXHIUAC-LLVKDONJSA-N 0 0 305.447 4.377 50 0 DIAARN C[C@@H](CCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000178570118 333016251 /nfs/dbraw/zinc/01/62/51/333016251.db2.gz QZRXRMVBISZCCZ-DZGCQCFKSA-N 0 0 313.363 4.371 50 0 DIAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1N[C@@H](C)[C@H]1CCOC1 ZINC000179746600 333025958 /nfs/dbraw/zinc/02/59/58/333025958.db2.gz LXDKYTFSQKOXMN-KBPBESRZSA-N 0 0 320.433 4.179 50 0 DIAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1N[C@@H](C)[C@@H]1CCOC1 ZINC000179746569 333026124 /nfs/dbraw/zinc/02/61/24/333026124.db2.gz LXDKYTFSQKOXMN-UONOGXRCSA-N 0 0 320.433 4.179 50 0 DIAARN Cc1csc(CN(C)C(=O)Nc2ccc(C3CC3)c(F)c2)n1 ZINC000240871448 333534537 /nfs/dbraw/zinc/53/45/37/333534537.db2.gz IKPKGYMLWDQQKF-UHFFFAOYSA-N 0 0 319.405 4.132 50 0 DIAARN CCCN(Cc1ccsc1)C(=O)N[C@H](C)c1ncccc1C ZINC000534652292 334312579 /nfs/dbraw/zinc/31/25/79/334312579.db2.gz YXECUNGYEHGAGM-CQSZACIVSA-N 0 0 317.458 4.134 50 0 DIAARN Cc1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nc(C)c1C(=O)[O-] ZINC000534671669 334320658 /nfs/dbraw/zinc/32/06/58/334320658.db2.gz IAYUSDPPSSJKKV-HNNXBMFYSA-N 0 0 324.424 4.220 50 0 DIAARN Cc1cscc1NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000124065649 334743602 /nfs/dbraw/zinc/74/36/02/334743602.db2.gz YKTFRVHDMSBLSQ-ZDUSSCGKSA-N 0 0 316.426 4.480 50 0 DIAARN c1cn(-c2ccccc2CNc2ccc3ccccc3n2)cn1 ZINC000189752562 334910518 /nfs/dbraw/zinc/91/05/18/334910518.db2.gz RLNFUYSOYOIKLP-UHFFFAOYSA-N 0 0 300.365 4.033 50 0 DIAARN O=C(C[C@@H]1CCCO1)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189942616 335628327 /nfs/dbraw/zinc/62/83/27/335628327.db2.gz NCVQTEJAQUCOQK-AWEZNQCLSA-N 0 0 323.820 4.027 50 0 DIAARN CC(C)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)s1 ZINC000301722004 336325606 /nfs/dbraw/zinc/32/56/06/336325606.db2.gz KAYSHDMCZSXCOJ-UHFFFAOYSA-N 0 0 315.364 4.317 50 0 DIAARN O=C(N[C@H](CCCO)c1ccccc1)c1ccc(C2CCC2)cc1 ZINC000189487787 337279558 /nfs/dbraw/zinc/27/95/58/337279558.db2.gz ZXYZLQKOMIGDCC-HXUWFJFHSA-N 0 0 323.436 4.198 50 0 DIAARN CCC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000016838138 337350846 /nfs/dbraw/zinc/35/08/46/337350846.db2.gz BSQNRZWMZUILCM-UHFFFAOYSA-N 0 0 316.744 4.047 50 0 DIAARN CCCc1nc(-c2noc(-c3cccc(C(F)F)c3F)n2)co1 ZINC000528199924 337793316 /nfs/dbraw/zinc/79/33/16/337793316.db2.gz RWPRLCPDPWWJEV-UHFFFAOYSA-N 0 0 323.274 4.421 50 0 DIAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)NCCc1ccccc1 ZINC000000478176 340375409 /nfs/dbraw/zinc/37/54/09/340375409.db2.gz UYIOVKSVPYIKBF-NJAFHUGGSA-N 0 0 303.446 4.416 50 0 DIAARN C(=C\[C@H]1CCCN1Cc1nnc(-c2ccco2)o1)\c1ccccc1 ZINC000542803049 341021187 /nfs/dbraw/zinc/02/11/87/341021187.db2.gz SVWGOFXMTQVQNN-BLIJAFNYSA-N 0 0 321.380 4.007 50 0 DIAARN c1ccc(COc2ccccc2-c2noc([C@H]3CCCO3)n2)cc1 ZINC000074448219 341146039 /nfs/dbraw/zinc/14/60/39/341146039.db2.gz HBCWESCOSSOMBW-QGZVFWFLSA-N 0 0 322.364 4.167 50 0 DIAARN C[C@@H](CCOc1ccccc1)c1nc([C@H]2Cc3ccccc32)no1 ZINC000547005227 341191254 /nfs/dbraw/zinc/19/12/54/341191254.db2.gz ZUAXJXUVVYJASF-KSSFIOAISA-N 0 0 320.392 4.330 50 0 DIAARN O=C(CCc1ccoc1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000177072995 341911519 /nfs/dbraw/zinc/91/15/19/341911519.db2.gz SUZBSUTZKILMCE-KRWDZBQOSA-N 0 0 303.789 4.133 50 0 DIAARN COc1ccc(-c2nc(C3CCCC3)no2)cc1-c1ccccn1 ZINC000178821515 341966330 /nfs/dbraw/zinc/96/63/30/341966330.db2.gz SUPDJABBQNENQC-UHFFFAOYSA-N 0 0 321.380 4.465 50 0 DIAARN C[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000002298588 518182503 /nfs/dbraw/zinc/18/25/03/518182503.db2.gz SMKKNYUPYASFQV-QGZVFWFLSA-N 0 0 307.437 4.246 50 0 DIAARN O=C(Nc1ccccc1Cl)OCC(Cl)(Cl)Cl ZINC000001640244 518201235 /nfs/dbraw/zinc/20/12/35/518201235.db2.gz IUUVYEYSBAEJSO-UHFFFAOYSA-N 0 0 302.972 4.259 50 0 DIAARN COCCC[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000182027866 523448552 /nfs/dbraw/zinc/44/85/52/523448552.db2.gz XMNNVZGQCDBLKU-QAPCUYQASA-N 0 0 303.446 4.030 50 0 DIAARN COCCC[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000182027845 523473382 /nfs/dbraw/zinc/47/33/82/523473382.db2.gz XMNNVZGQCDBLKU-MAUKXSAKSA-N 0 0 303.446 4.030 50 0 DIAARN COCCC[C@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000182027825 523473408 /nfs/dbraw/zinc/47/34/08/523473408.db2.gz XMNNVZGQCDBLKU-YJBOKZPZSA-N 0 0 303.446 4.030 50 0 DIAARN Cc1ccc(-c2cnoc2NC(=O)CSc2ccccc2)cc1 ZINC000016841380 525779155 /nfs/dbraw/zinc/77/91/55/525779155.db2.gz NKZZBIQIBJFMBA-UHFFFAOYSA-N 0 0 324.405 4.381 50 0 DIAARN Cc1csc(N(C(=O)c2csc3ccccc23)C2CC2)n1 ZINC000151031056 526372767 /nfs/dbraw/zinc/37/27/67/526372767.db2.gz YCJUPSNSZYJPMO-UHFFFAOYSA-N 0 0 314.435 4.475 50 0 DIAARN c1cn(-c2ccc(-c3cn(CCC4=CCCCC4)nn3)cc2)cn1 ZINC000091254997 526524656 /nfs/dbraw/zinc/52/46/56/526524656.db2.gz VVZZFMFRESXXLN-UHFFFAOYSA-N 0 0 319.412 4.021 50 0 DIAARN CC(C)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC000065490340 535179439 /nfs/dbraw/zinc/17/94/39/535179439.db2.gz QMQLFRNPRKEPMX-UHFFFAOYSA-N 0 0 312.388 4.239 50 0 DIAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C)cc2)CO1 ZINC000002125974 536095244 /nfs/dbraw/zinc/09/52/44/536095244.db2.gz IMLALEHKTJLUFU-UHFFFAOYSA-N 0 0 321.376 4.020 50 0 biogenic DIAARN CC[C@H]1CCc2c(sc3ncnc(N4CCC(C)CC4)c23)C1 ZINC000000089227 536100707 /nfs/dbraw/zinc/10/07/07/536100707.db2.gz MKEYDNJPUKCPJA-ZDUSSCGKSA-N 0 0 315.486 4.443 50 0 DIAARN Cc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101013853 563555622 /nfs/dbraw/zinc/55/56/22/563555622.db2.gz HLHSUYGNFWKKRE-CQSZACIVSA-N 0 0 316.198 4.036 50 0 DIAARN O=C(Nc1cc(F)ccc1F)Nc1cccc(Cl)c1F ZINC000051354429 563691014 /nfs/dbraw/zinc/69/10/14/563691014.db2.gz DQIPZZZFDIEJMK-UHFFFAOYSA-N 0 0 300.667 4.401 50 0 DIAARN COCCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C ZINC000225437920 563755222 /nfs/dbraw/zinc/75/52/22/563755222.db2.gz HXADEOUVCSFKGW-WFASDCNBSA-N 0 0 310.825 4.009 50 0 DIAARN Fc1ccc(Br)c(C(F)F)c1Br ZINC000263624494 563794907 /nfs/dbraw/zinc/79/49/07/563794907.db2.gz RAKZJJOFVVSVMZ-UHFFFAOYSA-N 0 0 303.903 4.288 50 0 DIAARN Cc1nc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)cs1 ZINC000183447632 563795352 /nfs/dbraw/zinc/79/53/52/563795352.db2.gz DTUMZHHXCNNPLI-GFCCVEGCSA-N 0 0 322.302 4.123 50 0 DIAARN CC(C)Sc1ccc(C(=O)Nc2ccc(F)cc2F)cn1 ZINC000001400339 563818693 /nfs/dbraw/zinc/81/86/93/563818693.db2.gz JJJUYBQCDVHCFY-UHFFFAOYSA-N 0 0 308.353 4.113 50 0 DIAARN O=C(Nc1nc(=S)ss1)c1cc(Cl)cc(Cl)c1 ZINC000001404435 563819075 /nfs/dbraw/zinc/81/90/75/563819075.db2.gz GYRNIEGFEGFFDB-UHFFFAOYSA-N 0 0 323.251 4.493 50 0 DIAARN Cc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)s1 ZINC000012854061 563844807 /nfs/dbraw/zinc/84/48/07/563844807.db2.gz YOWFCXRQGPKXOT-LBPRGKRZSA-N 0 0 307.415 4.163 50 0 DIAARN CC(C)CCC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000075106104 563859657 /nfs/dbraw/zinc/85/96/57/563859657.db2.gz ZOYUHJSEYYZYCP-NSHDSACASA-N 0 0 321.808 4.003 50 0 DIAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000007389242 563905660 /nfs/dbraw/zinc/90/56/60/563905660.db2.gz JUGCOJLPRQTJDF-LLVKDONJSA-N 0 0 315.244 4.052 50 0 DIAARN O=c1oc2ccccc2n1CCSc1ccc(Cl)cc1 ZINC000007112034 563903033 /nfs/dbraw/zinc/90/30/33/563903033.db2.gz QKWSPVDSCZMXAW-UHFFFAOYSA-N 0 0 305.786 4.040 50 0 DIAARN CC[C@H]1CCCCN1C(=O)Nc1ccccc1Br ZINC000013745947 563909942 /nfs/dbraw/zinc/90/99/42/563909942.db2.gz GSKYUTGFWBIGNL-NSHDSACASA-N 0 0 311.223 4.246 50 0 DIAARN CCOC(=O)c1csc(-c2cc3nccc(Cl)c3s2)n1 ZINC000145791342 563924308 /nfs/dbraw/zinc/92/43/08/563924308.db2.gz BZBPSVTZJDCWHJ-UHFFFAOYSA-N 0 0 324.814 4.250 50 0 DIAARN O=C(c1scnc1C1CC1)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000253393719 563924968 /nfs/dbraw/zinc/92/49/68/563924968.db2.gz BCQIEUJZBNKBJO-OCCSQVGLSA-N 0 0 304.459 4.205 50 0 DIAARN CCCSc1nc2sc3c(c2c(N)n1)C[C@](C)(CC)OC3 ZINC000002274603 563921086 /nfs/dbraw/zinc/92/10/86/563921086.db2.gz QFHMOKRHYMSNOR-HNNXBMFYSA-N 0 0 323.487 4.017 50 0 DIAARN O=C(N[C@@H](C1CCCC1)C(F)(F)F)C1CCC(F)(F)CC1 ZINC000095976202 563933574 /nfs/dbraw/zinc/93/35/74/563933574.db2.gz VGYDBIQPMFTFIF-NSHDSACASA-N 0 0 313.310 4.049 50 0 DIAARN CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccc(C)s1 ZINC000096104881 563935393 /nfs/dbraw/zinc/93/53/93/563935393.db2.gz XUHPILRFKGYQQK-ZDUSSCGKSA-N 0 0 324.833 4.219 50 0 DIAARN Fc1cc(Cl)c(NCc2nnc(C3CCC3)o2)c(Cl)c1 ZINC000097237714 563937931 /nfs/dbraw/zinc/93/79/31/563937931.db2.gz IJYKUSATJJFHDC-UHFFFAOYSA-N 0 0 316.163 4.395 50 0 DIAARN O=C(c1ccc(Cl)s1)N1CCCc2cc(F)c(F)cc21 ZINC000031926900 563944940 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/nfs/dbraw/zinc/22/31/98/563223198.db2.gz CKQWOBMVIXJPHC-UHFFFAOYSA-N 0 0 309.196 4.358 50 0 DIAARN O=C(Nc1ccccc1)c1ccccc1NC(=O)C1CCCCC1 ZINC000000142523 563223266 /nfs/dbraw/zinc/22/32/66/563223266.db2.gz WWKYBCSINPENOG-UHFFFAOYSA-N 0 0 322.408 4.458 50 0 DIAARN Cc1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc(C)c1Cl ZINC000000141688 563223272 /nfs/dbraw/zinc/22/32/72/563223272.db2.gz HLGHUBBOHLDEMI-XHDPSFHLSA-N 0 0 309.837 4.031 50 0 DIAARN O=C(CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000000142449 563223377 /nfs/dbraw/zinc/22/33/77/563223377.db2.gz IMNHLDJSVHJCLQ-UHFFFAOYSA-N 0 0 308.425 4.248 50 0 DIAARN CCc1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000000145585 563223838 /nfs/dbraw/zinc/22/38/38/563223838.db2.gz CZJQQQAAEMTNMR-UHFFFAOYSA-N 0 0 323.314 4.285 50 0 DIAARN O=c1ccnc(SCc2c(Cl)ccc(Cl)c2Cl)[nH]1 ZINC000000145752 563223868 /nfs/dbraw/zinc/22/38/68/563223868.db2.gz NXVZUDDGGLRLMJ-UHFFFAOYSA-N 0 0 321.616 4.022 50 0 DIAARN FC(F)(F)c1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000000145190 563223965 /nfs/dbraw/zinc/22/39/65/563223965.db2.gz MTKGTJVXLZFLMP-UHFFFAOYSA-N 0 0 303.696 4.130 50 0 DIAARN CCc1cccc(CC)c1NC(=O)COc1cccc(Cl)c1 ZINC000000145181 563224059 /nfs/dbraw/zinc/22/40/59/563224059.db2.gz QSZGBPDLVGWZIH-UHFFFAOYSA-N 0 0 317.816 4.482 50 0 DIAARN CCc1cccc(CC)c1NC(=O)COc1cc(C)cc(C)c1 ZINC000000145178 563224126 /nfs/dbraw/zinc/22/41/26/563224126.db2.gz MFIVIRQZROACPI-UHFFFAOYSA-N 0 0 311.425 4.446 50 0 DIAARN O=C(Nc1cc2ccccc2s1)NC1Cc2ccccc2C1 ZINC000000147579 563224511 /nfs/dbraw/zinc/22/45/11/563224511.db2.gz IMEGKJGAVZMBHS-UHFFFAOYSA-N 0 0 308.406 4.190 50 0 DIAARN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1ccco1 ZINC000000149041 563224713 /nfs/dbraw/zinc/22/47/13/563224713.db2.gz RYKGMWQNNYBTOO-UHFFFAOYSA-N 0 0 306.317 4.038 50 0 DIAARN Brc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000000156662 563225745 /nfs/dbraw/zinc/22/57/45/563225745.db2.gz LXTOVESBFFREMZ-UHFFFAOYSA-N 0 0 301.143 4.166 50 0 DIAARN COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2C)cc1 ZINC000000156388 563225798 /nfs/dbraw/zinc/22/57/98/563225798.db2.gz IBSNKTURANLZTA-UHFFFAOYSA-N 0 0 324.405 4.435 50 0 DIAARN Nc1c(Cl)c(Cl)c(Br)cc1Br ZINC000000159431 563225812 /nfs/dbraw/zinc/22/58/12/563225812.db2.gz IPWGDMQXLGFBLC-UHFFFAOYSA-N 0 0 319.811 4.101 50 0 DIAARN CN(CCc1ccccn1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000155723 563225849 /nfs/dbraw/zinc/22/58/49/563225849.db2.gz LQLCFCNFQUQQGZ-UHFFFAOYSA-N 0 0 324.211 4.095 50 0 DIAARN COC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)o1 ZINC000000158510 563225898 /nfs/dbraw/zinc/22/58/98/563225898.db2.gz KVXOHQUWJXYQEV-UHFFFAOYSA-N 0 0 322.407 4.337 50 0 DIAARN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1OC ZINC000000162978 563226321 /nfs/dbraw/zinc/22/63/21/563226321.db2.gz SERMHEBPCSCENR-UHFFFAOYSA-N 0 0 307.349 4.109 50 0 DIAARN CCOc1ccccc1NC(=O)Oc1ccc(F)cc1Cl ZINC000000166829 563226382 /nfs/dbraw/zinc/22/63/82/563226382.db2.gz HZTNZEKYXDTMEZ-UHFFFAOYSA-N 0 0 309.724 4.489 50 0 DIAARN COc1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 ZINC000000169461 563227022 /nfs/dbraw/zinc/22/70/22/563227022.db2.gz BWVMZRIJTWAOIF-UHFFFAOYSA-N 0 0 324.405 4.379 50 0 DIAARN Cc1ccccc1-c1nnn(Cc2ccc(Cl)cc2Cl)n1 ZINC000000170591 563227063 /nfs/dbraw/zinc/22/70/63/563227063.db2.gz CKZAKCXUXWFSSN-UHFFFAOYSA-N 0 0 319.195 4.004 50 0 DIAARN CC1(C)CCCC2=C1C[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1C2 ZINC000000171940 563227290 /nfs/dbraw/zinc/22/72/90/563227290.db2.gz HUIBWWOGCNJTFS-CVEARBPZSA-N 0 0 309.409 4.093 50 0 biogenic DIAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1C(F)(F)F ZINC000000178362 563227792 /nfs/dbraw/zinc/22/77/92/563227792.db2.gz USMPOGVVUJGFCM-UVTDQMKNSA-N 0 0 317.266 4.050 50 0 DIAARN Cc1nn(-c2cc(C)c3ccccc3n2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000181721 563228431 /nfs/dbraw/zinc/22/84/31/563228431.db2.gz HRJHJSVXCGLCEV-AUUYWEPGSA-N 0 0 303.409 4.333 50 0 DIAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000000180302 563228658 /nfs/dbraw/zinc/22/86/58/563228658.db2.gz KHBGFGGWHYKKAI-OAHLLOKOSA-N 0 0 307.777 4.258 50 0 DIAARN Cc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000000204053 563230049 /nfs/dbraw/zinc/23/00/49/563230049.db2.gz MWKIKTCPTPTVRC-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN Clc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 ZINC000000205853 563230287 /nfs/dbraw/zinc/23/02/87/563230287.db2.gz PYZUEWQLYBBSCE-JKSUJKDBSA-N 0 0 310.788 4.078 50 0 DIAARN O=c1oc2ccc(Cl)cc2c2c1S[C@H](C(F)(F)F)C2 ZINC000000236256 563232034 /nfs/dbraw/zinc/23/20/34/563232034.db2.gz KEHQMTFZORCYHS-VIFPVBQESA-N 0 0 306.692 4.026 50 0 DIAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000000236169 563232120 /nfs/dbraw/zinc/23/21/20/563232120.db2.gz LOMBSVSIPDIKPZ-UHFFFAOYSA-N 0 0 314.143 4.150 50 0 DIAARN COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1OC ZINC000000235431 563232214 /nfs/dbraw/zinc/23/22/14/563232214.db2.gz ZIPNOWSEWLAGCM-UHFFFAOYSA-N 0 0 309.365 4.159 50 0 DIAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000000248952 563233615 /nfs/dbraw/zinc/23/36/15/563233615.db2.gz DBMARDACGUKUDO-UHFFFAOYSA-N 0 0 317.454 4.100 50 0 DIAARN COc1ccc(NC(=O)c2oc3ccccc3c2C)cc1OC ZINC000000267357 563234436 /nfs/dbraw/zinc/23/44/36/563234436.db2.gz ZEHJNOHTEGBOAC-UHFFFAOYSA-N 0 0 311.337 4.011 50 0 DIAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1Cl ZINC000000262940 563234746 /nfs/dbraw/zinc/23/47/46/563234746.db2.gz NSDCAHILTQJLME-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN O=C(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl ZINC000000267814 563234760 /nfs/dbraw/zinc/23/47/60/563234760.db2.gz NCPUCAAKQCJYOG-UHFFFAOYSA-N 0 0 324.163 4.017 50 0 DIAARN Ic1ccc(-c2cc3ccccn3c2)cc1 ZINC000000281353 563235557 /nfs/dbraw/zinc/23/55/57/563235557.db2.gz LWIFYWXRJJPLRT-UHFFFAOYSA-N 0 0 319.145 4.211 50 0 DIAARN COc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000000284719 563235915 /nfs/dbraw/zinc/23/59/15/563235915.db2.gz NOJKHOIYTXYIJA-UHFFFAOYSA-N 0 0 320.186 4.018 50 0 DIAARN CSc1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1 ZINC000000291476 563236479 /nfs/dbraw/zinc/23/64/79/563236479.db2.gz NIQLNGUYYLRYTJ-UHFFFAOYSA-N 0 0 303.814 4.265 50 0 DIAARN Cc1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1C ZINC000000303952 563238235 /nfs/dbraw/zinc/23/82/35/563238235.db2.gz FRPXLIGUFXDNJD-UHFFFAOYSA-N 0 0 309.409 4.200 50 0 DIAARN O=C(OCc1ccccc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000000309434 563239146 /nfs/dbraw/zinc/23/91/46/563239146.db2.gz NCIFBRHXIDGDDR-UHFFFAOYSA-N 0 0 314.340 4.255 50 0 DIAARN Cc1c2c(c(C)n1-c1ccc3ncccc3c1)c(C)nnc2C ZINC000000313784 563239823 /nfs/dbraw/zinc/23/98/23/563239823.db2.gz AZKXTCLZMLPGQU-UHFFFAOYSA-N 0 0 302.381 4.202 50 0 DIAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000000314979 563240235 /nfs/dbraw/zinc/24/02/35/563240235.db2.gz OCSPGMJKKQSYOJ-CQSZACIVSA-N 0 0 321.376 4.254 50 0 DIAARN Cc1cc(C)c(OCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000000315721 563240381 /nfs/dbraw/zinc/24/03/81/563240381.db2.gz QYZYMWSSTOMSFP-UHFFFAOYSA-N 0 0 303.789 4.283 50 0 DIAARN O=C(CSc1cccc2cccnc21)Nc1ccc(F)cc1 ZINC000000317646 563240737 /nfs/dbraw/zinc/24/07/37/563240737.db2.gz PHVVSGMZNLEHAV-UHFFFAOYSA-N 0 0 312.369 4.105 50 0 DIAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCCC1 ZINC000000318068 563240782 /nfs/dbraw/zinc/24/07/82/563240782.db2.gz LESYLDIJOBKNAJ-UHFFFAOYSA-N 0 0 300.210 4.444 50 0 DIAARN Cc1ccc(C)c(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000000325402 563241377 /nfs/dbraw/zinc/24/13/77/563241377.db2.gz FHGXBFMPPIFOTQ-YBEGLDIGSA-N 0 0 311.768 4.301 50 0 DIAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000000328687 563241399 /nfs/dbraw/zinc/24/13/99/563241399.db2.gz VZFHWOBDULSTBL-UHFFFAOYSA-N 0 0 324.380 4.106 50 0 DIAARN CCOc1ccc(C(=O)Nc2cc(C)c(C)cc2O)cc1Cl ZINC000000330842 563241428 /nfs/dbraw/zinc/24/14/28/563241428.db2.gz BCZIGJRICXOUMH-UHFFFAOYSA-N 0 0 319.788 4.313 50 0 DIAARN CC1(C)Cc2nc3sc4c(ncnc4Cl)c3cc2CS1 ZINC000000327608 563241451 /nfs/dbraw/zinc/24/14/51/563241451.db2.gz JHHGKFFMQDARIY-UHFFFAOYSA-N 0 0 321.858 4.461 50 0 DIAARN CCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000000341532 563242111 /nfs/dbraw/zinc/24/21/11/563242111.db2.gz ZBEFMLZLSITOMG-UHFFFAOYSA-N 0 0 319.191 4.255 50 0 DIAARN CC(C)n1cccc([C@@H](O)CC(=O)c2ccccc2)c1=S ZINC000000344340 563242525 /nfs/dbraw/zinc/24/25/25/563242525.db2.gz AEFJYYQUZYTKLN-INIZCTEOSA-N 0 0 301.411 4.105 50 0 DIAARN Cn1c2ccccc2c(Cl)c(Sc2ccccc2)c1=O ZINC000000344124 563242818 /nfs/dbraw/zinc/24/28/18/563242818.db2.gz FGEHDYSWVUEJAP-UHFFFAOYSA-N 0 0 301.798 4.343 50 0 DIAARN Cc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000000351712 563243086 /nfs/dbraw/zinc/24/30/86/563243086.db2.gz FZDBIXZWFRUBIH-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN O=C(Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC000000348125 563243092 /nfs/dbraw/zinc/24/30/92/563243092.db2.gz RVCMQXQCKAATPG-UHFFFAOYSA-N 0 0 311.562 4.322 50 0 DIAARN Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000009112868 563243141 /nfs/dbraw/zinc/24/31/41/563243141.db2.gz CTJVJBLLYCRFIX-OAHLLOKOSA-N 0 0 303.793 4.048 50 0 DIAARN Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C ZINC000000352741 563243729 /nfs/dbraw/zinc/24/37/29/563243729.db2.gz ITYQLDHQWCRICG-MSOLQXFVSA-N 0 0 319.832 4.372 50 0 DIAARN Cc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000353643 563243821 /nfs/dbraw/zinc/24/38/21/563243821.db2.gz JFVKAAFWFZKHPH-UHFFFAOYSA-N 0 0 323.175 4.342 50 0 DIAARN CCn1ncc(Cl)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000356023 563243851 /nfs/dbraw/zinc/24/38/51/563243851.db2.gz VKJPGTSXGITMNF-UHFFFAOYSA-N 0 0 318.591 4.116 50 0 DIAARN CCc1ccc(OC(=O)c2cccs2)c(Br)c1 ZINC000000358946 563244128 /nfs/dbraw/zinc/24/41/28/563244128.db2.gz NEWKBCSTFKJVLN-UHFFFAOYSA-N 0 0 311.200 4.292 50 0 DIAARN CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc32)cc1 ZINC000000362884 563244873 /nfs/dbraw/zinc/24/48/73/563244873.db2.gz WVVWZYZTIPYZRA-UHFFFAOYSA-N 0 0 305.333 4.017 50 0 DIAARN Cc1ccc(OC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000000362379 563245012 /nfs/dbraw/zinc/24/50/12/563245012.db2.gz JOWIYTOQLNXJRK-UHFFFAOYSA-N 0 0 305.171 4.285 50 0 DIAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C ZINC000000365114 563245911 /nfs/dbraw/zinc/24/59/11/563245911.db2.gz ORIAAPXVSOMAAK-CYBMUJFWSA-N 0 0 303.789 4.363 50 0 DIAARN O=C(Nc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000000365026 563246062 /nfs/dbraw/zinc/24/60/62/563246062.db2.gz JWDYSGPLZWKKKI-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN Cc1cccc(NC(=S)Nc2ccccc2OC(F)F)c1 ZINC000000374451 563247046 /nfs/dbraw/zinc/24/70/46/563247046.db2.gz XIDGPYJKFHFQPY-UHFFFAOYSA-N 0 0 308.353 4.405 50 0 DIAARN Cc1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000374969 563247067 /nfs/dbraw/zinc/24/70/67/563247067.db2.gz ASNSMXBMJHRYOZ-UHFFFAOYSA-N 0 0 317.723 4.438 50 0 DIAARN O=C(Nc1ccc(Cl)cn1)c1ccc2c3c(cccc31)CC2 ZINC000000381861 563247645 /nfs/dbraw/zinc/24/76/45/563247645.db2.gz HCYFTBPFYCTGFV-UHFFFAOYSA-N 0 0 308.768 4.239 50 0 DIAARN Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000382638 563248313 /nfs/dbraw/zinc/24/83/13/563248313.db2.gz OXYXZYAFJYTEHV-ZDUSSCGKSA-N 0 0 319.857 4.445 50 0 DIAARN Cc1ccc(-c2nnc3sc(-c4ccc(C)cc4C)nn32)cc1 ZINC000000385043 563248552 /nfs/dbraw/zinc/24/85/52/563248552.db2.gz GGGINRONEOUMAZ-UHFFFAOYSA-N 0 0 320.421 4.445 50 0 DIAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccc1 ZINC000000384996 563248782 /nfs/dbraw/zinc/24/87/82/563248782.db2.gz JPDSVJVECIGUMW-UHFFFAOYSA-N 0 0 305.381 4.050 50 0 DIAARN O=c1c(O)c(-c2cccc(Cl)c2Cl)oc2ccccc12 ZINC000000387533 563249268 /nfs/dbraw/zinc/24/92/68/563249268.db2.gz DSACKZDUJJXQSB-UHFFFAOYSA-N 0 0 307.132 4.472 50 0 DIAARN Cc1ccc2nc(-n3ncc(-c4ccccc4)c3N)sc2c1 ZINC000000387603 563249394 /nfs/dbraw/zinc/24/93/94/563249394.db2.gz SXFPMBWSICAJFV-UHFFFAOYSA-N 0 0 306.394 4.040 50 0 DIAARN CCSc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000000387992 563249400 /nfs/dbraw/zinc/24/94/00/563249400.db2.gz MTJNAMWWHAAVSI-UHFFFAOYSA-N 0 0 322.842 4.417 50 0 DIAARN COc1ccc(OC)c(NC(=O)Nc2ccc(SC)cc2)c1 ZINC000000399721 563251242 /nfs/dbraw/zinc/25/12/42/563251242.db2.gz GFXRJSXODUOSEI-UHFFFAOYSA-N 0 0 318.398 4.070 50 0 DIAARN Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000000406785 563251709 /nfs/dbraw/zinc/25/17/09/563251709.db2.gz ODWSPKDUUDFACC-DLBZAZTESA-N 0 0 324.815 4.386 50 0 DIAARN CCC[C@@H](C)c1s/c(=N/C(=O)c2ccccc2)n(C)c1C ZINC000000406230 563251816 /nfs/dbraw/zinc/25/18/16/563251816.db2.gz LDDZPJIBQDKQIQ-PFFGMESJSA-N 0 0 302.443 4.040 50 0 DIAARN Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccccc1 ZINC000000425132 563252640 /nfs/dbraw/zinc/25/26/40/563252640.db2.gz LTPHMANJAFYCAC-UHFFFAOYSA-N 0 0 324.434 4.394 50 0 DIAARN CCOc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000000430475 563252754 /nfs/dbraw/zinc/25/27/54/563252754.db2.gz RQCQMRULMMFNBU-UHFFFAOYSA-N 0 0 300.745 4.456 50 0 DIAARN Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1 ZINC000000425619 563252859 /nfs/dbraw/zinc/25/28/59/563252859.db2.gz MOBVKJTVOWDWEB-UHFFFAOYSA-N 0 0 315.380 4.176 50 0 DIAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccccc2)no1 ZINC000000436089 563253767 /nfs/dbraw/zinc/25/37/67/563253767.db2.gz SZNKAFGFVWNZDF-UHFFFAOYSA-N 0 0 300.745 4.277 50 0 DIAARN CC[C@@H](C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000000435814 563253943 /nfs/dbraw/zinc/25/39/43/563253943.db2.gz UMSQAOHJSUKKHD-CQSZACIVSA-N 0 0 303.427 4.142 50 0 DIAARN CCCC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000000440457 563253978 /nfs/dbraw/zinc/25/39/78/563253978.db2.gz JBVBOGFKENRRDW-UHFFFAOYSA-N 0 0 303.431 4.241 50 0 DIAARN C[C@H](Oc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000000439935 563254038 /nfs/dbraw/zinc/25/40/38/563254038.db2.gz CNEKNKZIRBWULD-JTQLQIEISA-N 0 0 310.180 4.399 50 0 DIAARN CC(=O)Nc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000000442595 563254429 /nfs/dbraw/zinc/25/44/29/563254429.db2.gz HGKOBGOJMTWXMP-UHFFFAOYSA-N 0 0 323.179 4.204 50 0 DIAARN COC(=O)c1c(N)sc(C)c1-c1ccc(Cl)cc1Cl ZINC000000442799 563254466 /nfs/dbraw/zinc/25/44/66/563254466.db2.gz KIJVPNHXXRFTSA-UHFFFAOYSA-N 0 0 316.209 4.399 50 0 DIAARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 ZINC000000443449 563254891 /nfs/dbraw/zinc/25/48/91/563254891.db2.gz IFCXHHBCGUNGLU-UHFFFAOYSA-N 0 0 318.829 4.084 50 0 DIAARN CCc1ccc(OCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000444349 563254976 /nfs/dbraw/zinc/25/49/76/563254976.db2.gz MVEVBZSOMOQJLF-UHFFFAOYSA-N 0 0 305.377 4.420 50 0 DIAARN O=C1OC(c2cccs2)=N/C1=C\c1cccc(Cl)c1Cl ZINC000000445800 563255457 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ZINC000035536099 563327438 /nfs/dbraw/zinc/32/74/38/563327438.db2.gz XTTXEKDXXDRSOK-UHFFFAOYSA-N 0 0 324.355 4.028 50 0 DIAARN Cc1cc(N2CCN(c3ccccc3)CC2)nc2cc(F)ccc12 ZINC000004982150 563328313 /nfs/dbraw/zinc/32/83/13/563328313.db2.gz QRZIJVMPAZFDNW-UHFFFAOYSA-N 0 0 321.399 4.009 50 0 DIAARN O=C1CSc2ccccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000005776576 563331036 /nfs/dbraw/zinc/33/10/36/563331036.db2.gz ZUIJXKLTUFCDGO-UHFFFAOYSA-N 0 0 323.339 4.344 50 0 in-vitro DIAARN Fc1ccc(C(F)(F)F)cc1CNCc1ccc(Cl)nc1 ZINC000071904742 563331844 /nfs/dbraw/zinc/33/18/44/563331844.db2.gz ZRQZRCZWQHEAKO-UHFFFAOYSA-N 0 0 318.701 4.183 50 0 DIAARN Cc1ccc([C@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)s1 ZINC000071908107 563332713 /nfs/dbraw/zinc/33/27/13/563332713.db2.gz CDQOWQJOHBHSSB-ZWNOBZJWSA-N 0 0 318.269 4.304 50 0 DIAARN Cc1ncsc1C(=O)N(c1ccc(F)cc1Cl)C(C)C ZINC000071911018 563333007 /nfs/dbraw/zinc/33/30/07/563333007.db2.gz GBJIKJGIAZDJRP-UHFFFAOYSA-N 0 0 312.797 4.299 50 0 DIAARN O=C(Nc1ccc(F)cc1F)C1(c2ccccc2)CCCC1 ZINC000002512620 563333870 /nfs/dbraw/zinc/33/38/70/563333870.db2.gz GTNDLXIMHJCEGA-UHFFFAOYSA-N 0 0 301.336 4.415 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(F)cc2)no1 ZINC000006872448 563334797 /nfs/dbraw/zinc/33/47/97/563334797.db2.gz ALAGLNWXTQUCRR-UHFFFAOYSA-N 0 0 318.254 4.011 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2F)no1 ZINC000006872773 563334807 /nfs/dbraw/zinc/33/48/07/563334807.db2.gz PKMIBDXMANJZNT-UHFFFAOYSA-N 0 0 318.254 4.011 50 0 DIAARN COc1ccc2cc([C@H](C)C(=O)NC3CCCCC3)ccc2c1 ZINC000007070978 563336417 /nfs/dbraw/zinc/33/64/17/563336417.db2.gz XKBOCEDJWNRVFZ-AWEZNQCLSA-N 0 0 311.425 4.401 50 0 DIAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1 ZINC000002628753 563336752 /nfs/dbraw/zinc/33/67/52/563336752.db2.gz SMENTHWNORLECO-UHFFFAOYSA-N 0 0 311.410 4.192 50 0 DIAARN O=C(Nc1nnc(-c2cccs2)o1)c1ccc2ccccc2c1 ZINC000002641561 563337310 /nfs/dbraw/zinc/33/73/10/563337310.db2.gz WEPXDRPXKUGRFR-UHFFFAOYSA-N 0 0 321.361 4.204 50 0 DIAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000007402382 563338603 /nfs/dbraw/zinc/33/86/03/563338603.db2.gz LJITZJCMADJGNS-UHFFFAOYSA-N 0 0 309.818 4.066 50 0 DIAARN Clc1ccc(SCc2nc(-c3cccnc3)no2)cc1 ZINC000014787035 563338630 /nfs/dbraw/zinc/33/86/30/563338630.db2.gz CODITZHKBQFFKZ-UHFFFAOYSA-N 0 0 303.774 4.077 50 0 DIAARN CCCCCn1c(CCCNC(=O)CCC)nc2ccccc21 ZINC000002721543 563339419 /nfs/dbraw/zinc/33/94/19/563339419.db2.gz LYBDHXGJYGAJDK-UHFFFAOYSA-N 0 0 315.461 4.075 50 0 DIAARN CCCCOc1cccc2c1CCN(Cc1ccccc1)C2=O ZINC000002716318 563339432 /nfs/dbraw/zinc/33/94/32/563339432.db2.gz PTGWDPQBUCRXNG-UHFFFAOYSA-N 0 0 309.409 4.064 50 0 DIAARN CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000007548481 563339496 /nfs/dbraw/zinc/33/94/96/563339496.db2.gz HCAYYQLESAJNMU-IBGZPJMESA-N 0 0 324.424 4.339 50 0 DIAARN Cc1cc(C)n(C(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000002741845 563339913 /nfs/dbraw/zinc/33/99/13/563339913.db2.gz BYHGFMLLKFHYRI-UHFFFAOYSA-N 0 0 304.349 4.078 50 0 DIAARN CCCNc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn21 ZINC000007636191 563340098 /nfs/dbraw/zinc/34/00/98/563340098.db2.gz SEJOOGNBFZQILU-UHFFFAOYSA-N 0 0 314.820 4.488 50 0 DIAARN CC(C)Cc1nnc([C@@H](C)Sc2nncc3ccccc32)o1 ZINC000097377692 563340183 /nfs/dbraw/zinc/34/01/83/563340183.db2.gz ZAUBCEGUURVIRL-LLVKDONJSA-N 0 0 314.414 4.065 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 ZINC000002753208 563341256 /nfs/dbraw/zinc/34/12/56/563341256.db2.gz KMBJMJDFWZPFQL-UHFFFAOYSA-N 0 0 305.299 4.446 50 0 DIAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C ZINC000002764873 563341380 /nfs/dbraw/zinc/34/13/80/563341380.db2.gz FPPHEMKPHGJNHB-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)s2)cc1 ZINC000002763840 563341449 /nfs/dbraw/zinc/34/14/49/563341449.db2.gz SCCUXWYXCCESCO-SNVBAGLBSA-N 0 0 324.243 4.310 50 0 DIAARN O=C(Nc1nc2c(s1)CCCC2)Nc1cccc(Cl)c1 ZINC000002763522 563341550 /nfs/dbraw/zinc/34/15/50/563341550.db2.gz IDUURWPPBXKRCK-UHFFFAOYSA-N 0 0 307.806 4.319 50 0 DIAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000002760000 563341829 /nfs/dbraw/zinc/34/18/29/563341829.db2.gz WPFZUMWRWIECOB-GFCCVEGCSA-N 0 0 319.788 4.145 50 0 DIAARN COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000002789241 563342112 /nfs/dbraw/zinc/34/21/12/563342112.db2.gz OAYRCGOIBSWNBA-UHFFFAOYSA-N 0 0 310.180 4.183 50 0 DIAARN O=C(Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000007748320 563342184 /nfs/dbraw/zinc/34/21/84/563342184.db2.gz QEUOKWWQRGOWNE-UHFFFAOYSA-N 0 0 310.578 4.355 50 0 DIAARN Cc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000007974931 563343293 /nfs/dbraw/zinc/34/32/93/563343293.db2.gz HZCPCIQEHWWNAI-UHFFFAOYSA-N 0 0 315.416 4.443 50 0 DIAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(C)C ZINC000002972283 563345186 /nfs/dbraw/zinc/34/51/86/563345186.db2.gz DMZOINZLORSOFM-UHFFFAOYSA-N 0 0 311.410 4.261 50 0 DIAARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C[C@@H](C)OC(=O)C32)cc1 ZINC000008684982 563349406 /nfs/dbraw/zinc/34/94/06/563349406.db2.gz AEQTYHLWMVTNJH-YJYMSZOUSA-N 0 0 320.392 4.163 50 0 DIAARN Nn1cc(-c2ccccc2)nc1SCc1ccccc1Cl ZINC000008706574 563349440 /nfs/dbraw/zinc/34/94/40/563349440.db2.gz GDOHTGXWJLKGRC-UHFFFAOYSA-N 0 0 315.829 4.210 50 0 DIAARN CC(C)(C)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000008743329 563349766 /nfs/dbraw/zinc/34/97/66/563349766.db2.gz QMLMRVCBHRTPFT-UHFFFAOYSA-N 0 0 310.810 4.133 50 0 DIAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1C ZINC000008769020 563349801 /nfs/dbraw/zinc/34/98/01/563349801.db2.gz JYXAMBNUXOAZTG-UHFFFAOYSA-N 0 0 314.370 4.059 50 0 DIAARN O=c1nc(-c2ccc(Cl)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000008854790 563350482 /nfs/dbraw/zinc/35/04/82/563350482.db2.gz JANUPDZTKCXNTJ-UHFFFAOYSA-N 0 0 316.813 4.184 50 0 DIAARN CSc1nc(-c2ccccc2)cc(-n2cnc3ccccc32)n1 ZINC000008845906 563350726 /nfs/dbraw/zinc/35/07/26/563350726.db2.gz FDEUMAPREBYAEU-UHFFFAOYSA-N 0 0 318.405 4.204 50 0 DIAARN CCCSc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000008816552 563350828 /nfs/dbraw/zinc/35/08/28/563350828.db2.gz ZJQASPRUMCVIEK-UHFFFAOYSA-N 0 0 301.411 4.450 50 0 DIAARN Cc1nc2c3ccccc3nc(SCc3cccc(C)c3)n2n1 ZINC000009052068 563351579 /nfs/dbraw/zinc/35/15/79/563351579.db2.gz LOTSEQUXVIOPSR-UHFFFAOYSA-N 0 0 320.421 4.187 50 0 DIAARN COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C ZINC000009140084 563352249 /nfs/dbraw/zinc/35/22/49/563352249.db2.gz PHSUIFHWJMXZGQ-UHFFFAOYSA-N 0 0 323.436 4.099 50 0 DIAARN CCC(CC)C(=O)Nc1nnc(CSc2ccccc2)s1 ZINC000009196849 563352255 /nfs/dbraw/zinc/35/22/55/563352255.db2.gz MYELZWKCGXSYBQ-UHFFFAOYSA-N 0 0 321.471 4.205 50 0 DIAARN O=c1c2c(-c3ccc(Cl)cc3)cc[nH]c-2nn1-c1ccccc1 ZINC000009306811 563353136 /nfs/dbraw/zinc/35/31/36/563353136.db2.gz PAONFEZNGLIQMT-UHFFFAOYSA-N 0 0 321.767 4.034 50 0 DIAARN C[C@H](Sc1nnc2n1CCN2c1ccccc1)c1ccccc1 ZINC000009574067 563353599 /nfs/dbraw/zinc/35/35/99/563353599.db2.gz VMBTWKUSHLNAOL-AWEZNQCLSA-N 0 0 322.437 4.283 50 0 DIAARN CCc1noc(C)c1C(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000009364744 563353820 /nfs/dbraw/zinc/35/38/20/563353820.db2.gz PTUFDBKBCXMBRK-UHFFFAOYSA-N 0 0 316.401 4.104 50 0 DIAARN Cc1ccc(CSc2nnc3n2CCN3c2ccccc2)cc1 ZINC000009574071 563354112 /nfs/dbraw/zinc/35/41/12/563354112.db2.gz CBLSUHXZGPXUHZ-UHFFFAOYSA-N 0 0 322.437 4.031 50 0 DIAARN CCCC(=O)Nc1ccc(C(=O)N(CC)C2CCCCC2)cc1 ZINC000009846941 563354502 /nfs/dbraw/zinc/35/45/02/563354502.db2.gz LIGSPPQDEKTMSZ-UHFFFAOYSA-N 0 0 316.445 4.220 50 0 DIAARN CCOc1ccccc1CCCNC(=O)c1ccccc1Cl ZINC000010110846 563355105 /nfs/dbraw/zinc/35/51/05/563355105.db2.gz DUGAYOOBBYQSJB-UHFFFAOYSA-N 0 0 317.816 4.101 50 0 DIAARN CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000010461583 563357750 /nfs/dbraw/zinc/35/77/50/563357750.db2.gz NTSYVHGQOLEFOZ-UHFFFAOYSA-N 0 0 324.424 4.201 50 0 DIAARN C[C@H]1CCc2noc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1 ZINC000011914807 563360763 /nfs/dbraw/zinc/36/07/63/563360763.db2.gz WSKIRHNNIJZIJT-LBPRGKRZSA-N 0 0 312.413 4.349 50 0 DIAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)NC(C)(C)C)C2)cc1 ZINC000011938044 563360925 /nfs/dbraw/zinc/36/09/25/563360925.db2.gz LQZJOHKEOBVIAR-KRWDZBQOSA-N 0 0 317.477 4.194 50 0 DIAARN Brc1ccc2nc(NCc3cccnc3)sc2c1 ZINC000011919985 563360987 /nfs/dbraw/zinc/36/09/87/563360987.db2.gz MEFFIMGPBOVTMX-UHFFFAOYSA-N 0 0 320.215 4.066 50 0 DIAARN COc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1 ZINC000012177396 563362963 /nfs/dbraw/zinc/36/29/63/563362963.db2.gz YSKZMEJAIUNPMH-UHFFFAOYSA-N 0 0 316.357 4.177 50 0 DIAARN COc1cccc(-c2n[nH]c(-c3cccc(OC)c3)c2Cl)c1 ZINC000012357677 563366961 /nfs/dbraw/zinc/36/69/61/563366961.db2.gz SNPDWSBWLYODCV-UHFFFAOYSA-N 0 0 314.772 4.414 50 0 DIAARN Cc1oc(-c2cccc(C)c2)nc1CN(C)[C@@H](C)c1ccon1 ZINC000012372832 563366969 /nfs/dbraw/zinc/36/69/69/563366969.db2.gz ZLLIBZYBBAPLBY-ZDUSSCGKSA-N 0 0 311.385 4.139 50 0 DIAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2C1 ZINC000012590701 563371576 /nfs/dbraw/zinc/37/15/76/563371576.db2.gz MVJCOBAKVGPFHX-HDICACEKSA-N 0 0 305.377 4.076 50 0 DIAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C)ccc1C ZINC000032611697 563371703 /nfs/dbraw/zinc/37/17/03/563371703.db2.gz NYNWNPAUSMFAMB-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN Cc1ccc(-c2noc(-c3occc3Br)n2)cc1 ZINC000012655185 563372355 /nfs/dbraw/zinc/37/23/55/563372355.db2.gz UOLXKLAYSIEGGT-UHFFFAOYSA-N 0 0 305.131 4.068 50 0 DIAARN O=C(c1ccoc1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012703378 563372418 /nfs/dbraw/zinc/37/24/18/563372418.db2.gz NLVZFKVNWOKUJM-ZDUSSCGKSA-N 0 0 319.351 4.043 50 0 DIAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000012776991 563373521 /nfs/dbraw/zinc/37/35/21/563373521.db2.gz BWLOUKAUGVJJQB-UHFFFAOYSA-N 0 0 320.392 4.212 50 0 DIAARN CC(=O)Nc1ccc(C(=O)[C@H](C)SC2CCCCC2)cc1 ZINC000012771269 563373545 /nfs/dbraw/zinc/37/35/45/563373545.db2.gz XBVKRLKSVYJKGL-LBPRGKRZSA-N 0 0 305.443 4.282 50 0 DIAARN C[C@@H](c1ccccc1)N(C)Cc1c(Cl)nc2sccn12 ZINC000012799979 563373673 /nfs/dbraw/zinc/37/36/73/563373673.db2.gz NYTLUAOCZCLWAI-NSHDSACASA-N 0 0 305.834 4.242 50 0 DIAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)cs1 ZINC000012798091 563373938 /nfs/dbraw/zinc/37/39/38/563373938.db2.gz WKMUDEDXTJPECE-MRXNPFEDSA-N 0 0 312.438 4.091 50 0 DIAARN Cc1ccc(C)c(C(=O)NCc2csc(-c3ccccc3)n2)c1 ZINC000012798402 563373990 /nfs/dbraw/zinc/37/39/90/563373990.db2.gz PVMDSPMJRUCTDL-UHFFFAOYSA-N 0 0 322.433 4.357 50 0 DIAARN Cc1cccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000012974557 563375960 /nfs/dbraw/zinc/37/59/60/563375960.db2.gz SYRABTMJYKRFMY-CYBMUJFWSA-N 0 0 310.422 4.438 50 0 DIAARN O=C(CCc1ccccc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012986167 563376515 /nfs/dbraw/zinc/37/65/15/563376515.db2.gz MFPBJXMWANGXGO-MRXNPFEDSA-N 0 0 315.413 4.112 50 0 DIAARN Cc1cc(CNC(=O)Cc2ccc3ccccc3c2)ccc1F ZINC000012997499 563376843 /nfs/dbraw/zinc/37/68/43/563376843.db2.gz NIPGLBCWNQDXJM-UHFFFAOYSA-N 0 0 307.368 4.146 50 0 DIAARN C[C@]1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21 ZINC000013127280 563379030 /nfs/dbraw/zinc/37/90/30/563379030.db2.gz ZRZMLKAZUBVMMI-FQEVSTJZSA-N 0 0 312.376 4.245 50 0 DIAARN Clc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 ZINC000013132075 563379049 /nfs/dbraw/zinc/37/90/49/563379049.db2.gz MEYFTBIXXHZJJB-HOTGVXAUSA-N 0 0 310.788 4.078 50 0 DIAARN Cc1cc(F)ccc1NC(=O)c1ccc(Br)s1 ZINC000013325532 563380820 /nfs/dbraw/zinc/38/08/20/563380820.db2.gz MNKIFORQNRNPRD-UHFFFAOYSA-N 0 0 314.179 4.210 50 0 DIAARN CCc1noc(C)c1C(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000013329827 563381201 /nfs/dbraw/zinc/38/12/01/563381201.db2.gz GJDZPHWFTMELIU-UHFFFAOYSA-N 0 0 306.450 4.270 50 0 DIAARN CC[C@]1(c2ccccc2)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000013521633 563382545 /nfs/dbraw/zinc/38/25/45/563382545.db2.gz VNHWKVLJCWGPDC-SFHVURJKSA-N 0 0 311.454 4.177 50 0 DIAARN CCc1ccccc1NC(=S)N1N=CC[C@H]1c1ccccc1 ZINC000013519924 563382554 /nfs/dbraw/zinc/38/25/54/563382554.db2.gz TVFBYQKJTSMSMY-KRWDZBQOSA-N 0 0 309.438 4.379 50 0 DIAARN Cc1cc(C)c2cc(CNCc3cccnc3)c(Cl)nc2c1 ZINC000013534800 563382722 /nfs/dbraw/zinc/38/27/22/563382722.db2.gz JWPPQNXEZABRPH-UHFFFAOYSA-N 0 0 311.816 4.190 50 0 DIAARN CCOc1ccccc1NC(=S)N1CCCc2ccccc21 ZINC000013572779 563383558 /nfs/dbraw/zinc/38/35/58/563383558.db2.gz GOYGFMIHLKTKFD-UHFFFAOYSA-N 0 0 312.438 4.235 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000032720199 563383580 /nfs/dbraw/zinc/38/35/80/563383580.db2.gz GDCGIJPZHXBFGC-XJKCOSOUSA-N 0 0 312.413 4.205 50 0 DIAARN CCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCC)c1O ZINC000013650351 563384177 /nfs/dbraw/zinc/38/41/77/563384177.db2.gz JRHOSBCIYWDGHN-UHFFFAOYSA-N 0 0 322.401 4.329 50 0 in-vitro DIAARN O=C(Nc1ccncc1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000032726004 563385117 /nfs/dbraw/zinc/38/51/17/563385117.db2.gz IIEGLNRQGISJKQ-UHFFFAOYSA-N 0 0 322.339 4.052 50 0 DIAARN c1csc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn32)c1 ZINC000013690933 563386098 /nfs/dbraw/zinc/38/60/98/563386098.db2.gz MTQRXPGXGYZJRF-UHFFFAOYSA-N 0 0 323.406 4.063 50 0 DIAARN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000013710216 563386814 /nfs/dbraw/zinc/38/68/14/563386814.db2.gz KWVVHVQVZXVPSV-ZDUSSCGKSA-N 0 0 303.789 4.363 50 0 DIAARN Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)nc1 ZINC000013744721 563387906 /nfs/dbraw/zinc/38/79/06/563387906.db2.gz UZHZXWSIBCRVDF-UHFFFAOYSA-N 0 0 318.804 4.148 50 0 DIAARN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000032738312 563389350 /nfs/dbraw/zinc/38/93/50/563389350.db2.gz ZPSRISJRCMBPTJ-GFCCVEGCSA-N 0 0 319.364 4.109 50 0 DIAARN Cc1ccc(-c2nc(CC(=O)N(C)c3ccccc3)cs2)cc1 ZINC000032738559 563389610 /nfs/dbraw/zinc/38/96/10/563389610.db2.gz DIWIRMJSPUJBGQ-UHFFFAOYSA-N 0 0 322.433 4.324 50 0 DIAARN COCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 ZINC000013786184 563389653 /nfs/dbraw/zinc/38/96/53/563389653.db2.gz JBXBQFBCZUUXQD-VXPUYCOJSA-N 0 0 324.449 4.486 50 0 DIAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000013847307 563390637 /nfs/dbraw/zinc/39/06/37/563390637.db2.gz PTVWPFFOYJTUQQ-MRXNPFEDSA-N 0 0 305.324 4.069 50 0 DIAARN CCCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)n[nH]1 ZINC000032754618 563390660 /nfs/dbraw/zinc/39/06/60/563390660.db2.gz WGDJPBBPRWOOFR-UHFFFAOYSA-N 0 0 319.408 4.205 50 0 DIAARN CC(C)(C)c1cc(NC(=O)c2ccco2)n(Cc2ccccc2)n1 ZINC000032753648 563390671 /nfs/dbraw/zinc/39/06/71/563390671.db2.gz JOKMHSRWFIQJCO-UHFFFAOYSA-N 0 0 323.396 4.074 50 0 DIAARN Cc1ccc(C(=O)CSc2nc3cc(C)ccc3n2C)cc1 ZINC000013855787 563390823 /nfs/dbraw/zinc/39/08/23/563390823.db2.gz JVOWMOYWDDDUOP-UHFFFAOYSA-N 0 0 310.422 4.165 50 0 DIAARN CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000032770846 563392215 /nfs/dbraw/zinc/39/22/15/563392215.db2.gz ZZLJMSXRFPQLAA-UHFFFAOYSA-N 0 0 316.763 4.233 50 0 DIAARN Cc1sc(-c2ccco2)nc1C(=O)N1CCCCCCC1 ZINC000032772281 563392798 /nfs/dbraw/zinc/39/27/98/563392798.db2.gz YKTHJYUIMFMFSL-UHFFFAOYSA-N 0 0 304.415 4.118 50 0 DIAARN c1cnn(-c2ccc(CSc3cnc4ccccc4n3)cc2)c1 ZINC000032778385 563393974 /nfs/dbraw/zinc/39/39/74/563393974.db2.gz UJQZWQPQAXAANX-UHFFFAOYSA-N 0 0 318.405 4.108 50 0 DIAARN O=C(Nc1ccc(Br)cc1)OCc1ccccc1 ZINC000014000732 563394125 /nfs/dbraw/zinc/39/41/25/563394125.db2.gz OGIRMVQVHNCXEH-UHFFFAOYSA-N 0 0 306.159 4.198 50 0 DIAARN CCc1nc2ccccc2c(C(=O)Nc2cccc(F)c2)c1C ZINC000014076814 563394694 /nfs/dbraw/zinc/39/46/94/563394694.db2.gz UYQKUPAIEBQLMR-UHFFFAOYSA-N 0 0 308.356 4.497 50 0 DIAARN CC(C)[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000032803509 563395614 /nfs/dbraw/zinc/39/56/14/563395614.db2.gz DQWWPLDNOMQSGD-FUHWJXTLSA-N 0 0 312.413 4.354 50 0 DIAARN CCOc1ccc([C@@H]2Nc3ccccc3C(C)(C)O2)cc1OC ZINC000000098207 563396038 /nfs/dbraw/zinc/39/60/38/563396038.db2.gz JXDGMHOBNZPQMU-GOSISDBHSA-N 0 0 313.397 4.470 50 0 DIAARN COc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1C ZINC000014120733 563396369 /nfs/dbraw/zinc/39/63/69/563396369.db2.gz UCIGWVUYGXBXCY-UHFFFAOYSA-N 0 0 319.788 4.226 50 0 DIAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000014201167 563397778 /nfs/dbraw/zinc/39/77/78/563397778.db2.gz LZGSEVOQMKTRTL-BETUJISGSA-N 0 0 323.392 4.144 50 0 DIAARN Cc1cc(CSc2nnc(Nc3ccccc3F)s2)on1 ZINC000014187942 563397794 /nfs/dbraw/zinc/39/77/94/563397794.db2.gz HYBHGARSINZWDA-UHFFFAOYSA-N 0 0 322.390 4.010 50 0 DIAARN Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccco2)c1 ZINC000014198772 563397844 /nfs/dbraw/zinc/39/78/44/563397844.db2.gz USQJEXRZWNKANM-UHFFFAOYSA-N 0 0 310.353 4.415 50 0 DIAARN Cc1noc2nc(C)cc(C(=O)Nc3ccccc3C(C)C)c12 ZINC000014204593 563398343 /nfs/dbraw/zinc/39/83/43/563398343.db2.gz CMSOODHTWMIPPB-UHFFFAOYSA-N 0 0 309.369 4.215 50 0 DIAARN CCOc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1 ZINC000014226836 563398970 /nfs/dbraw/zinc/39/89/70/563398970.db2.gz FJPBQFMDHBYHAH-UHFFFAOYSA-N 0 0 313.378 4.287 50 0 DIAARN Cc1oc(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1C ZINC000032819383 563400188 /nfs/dbraw/zinc/40/01/88/563400188.db2.gz MGOYBASGMFYTIB-UHFFFAOYSA-N 0 0 311.425 4.300 50 0 DIAARN C[C@H]1Oc2c(cccc2C(=O)Nc2cccc3cccnc32)[C@H]1C ZINC000032820220 563400527 /nfs/dbraw/zinc/40/05/27/563400527.db2.gz YOTPAIYBUWDRQD-QWHCGFSZSA-N 0 0 318.376 4.372 50 0 DIAARN O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000014398838 563400529 /nfs/dbraw/zinc/40/05/29/563400529.db2.gz CCHRPZPIVNXVDC-UHFFFAOYSA-N 0 0 316.351 4.207 50 0 DIAARN CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000014565761 563401128 /nfs/dbraw/zinc/40/11/28/563401128.db2.gz NVHUQCKWBOIDDS-UHFFFAOYSA-N 0 0 320.751 4.080 50 0 DIAARN CCOc1ccc(Oc2ccc(Br)cc2N)cc1 ZINC000014631014 563402250 /nfs/dbraw/zinc/40/22/50/563402250.db2.gz PBIIYWDEEACWCJ-UHFFFAOYSA-N 0 0 308.175 4.222 50 0 DIAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccco1 ZINC000032868988 563404025 /nfs/dbraw/zinc/40/40/25/563404025.db2.gz SPGPPEXTRULQKZ-UHFFFAOYSA-N 0 0 324.361 4.079 50 0 DIAARN C=C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003881941 563404547 /nfs/dbraw/zinc/40/45/47/563404547.db2.gz ILGPJZIKYMIGMU-DGGDGUMWSA-N 0 0 314.469 4.435 50 0 biogenic DIAARN Cc1sc(NC(=O)[C@H]2C[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000014911409 563404774 /nfs/dbraw/zinc/40/47/74/563404774.db2.gz XWVLHNQHYSTIFO-UFBFGSQYSA-N 0 0 306.818 4.366 50 0 DIAARN O[C@@H]1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)N2CCC1CC2 ZINC000015016997 563405558 /nfs/dbraw/zinc/40/55/58/563405558.db2.gz RNNIXJCZFLCQKU-QMJOVRGKSA-N 0 0 315.800 4.027 50 0 DIAARN Cc1c2cccc(C)c2oc1C[C@@H]1c2ccccc2N(C)C1=O ZINC000015017534 563405978 /nfs/dbraw/zinc/40/59/78/563405978.db2.gz DHJXYFGWKHKJPY-MRXNPFEDSA-N 0 0 305.377 4.352 50 0 DIAARN C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)C1 ZINC000015085188 563406977 /nfs/dbraw/zinc/40/69/77/563406977.db2.gz QQTBAIIREMQQAS-QMTHXVAHSA-N 0 0 315.413 4.486 50 0 DIAARN Cc1ccc(F)cc1NC(=O)COc1cccc2ccccc21 ZINC000015077952 563407050 /nfs/dbraw/zinc/40/70/50/563407050.db2.gz MNYSZJAXARMPNZ-UHFFFAOYSA-N 0 0 309.340 4.305 50 0 DIAARN Cc1cc(Cl)nc(Cl)c1C(=O)N(C)C1CCCCC1 ZINC000015107919 563407760 /nfs/dbraw/zinc/40/77/60/563407760.db2.gz RMATYUKUXZLPGG-UHFFFAOYSA-N 0 0 301.217 4.102 50 0 DIAARN Cc1nc(C)c(-c2csc(C[C@H](C)n3cc(Cl)cn3)n2)o1 ZINC000268712142 563408363 /nfs/dbraw/zinc/40/83/63/563408363.db2.gz DLVQXQLGGNRIBF-QMMMGPOBSA-N 0 0 322.821 4.069 50 0 DIAARN CCCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032900333 563409710 /nfs/dbraw/zinc/40/97/10/563409710.db2.gz ALGCWCQAUOHZTR-HNNXBMFYSA-N 0 0 324.424 4.258 50 0 DIAARN Cc1cc(C(=O)N2CCCc3ccccc32)c2ccccc2n1 ZINC000016023100 563410681 /nfs/dbraw/zinc/41/06/81/563410681.db2.gz NTPIXXZATVQJFB-UHFFFAOYSA-N 0 0 302.377 4.136 50 0 DIAARN O=C(Nc1nccs1)c1ccc(-c2cccs2)cc1F ZINC000032914070 563411451 /nfs/dbraw/zinc/41/14/51/563411451.db2.gz LKWHOSYGXOSMMM-UHFFFAOYSA-N 0 0 304.371 4.263 50 0 DIAARN O=C(Oc1cccc2ccccc21)c1cc(=O)[nH]c2ccccc21 ZINC000016157863 563411550 /nfs/dbraw/zinc/41/15/50/563411550.db2.gz HXRKTOZQKHBIPU-UHFFFAOYSA-N 0 0 315.328 4.313 50 0 DIAARN O=C(Nc1nccs1)c1cccc(OCc2cccs2)c1 ZINC000032914066 563411608 /nfs/dbraw/zinc/41/16/08/563411608.db2.gz QOGWKJVIHIMMBX-UHFFFAOYSA-N 0 0 316.407 4.036 50 0 DIAARN C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccc(Cl)cc1 ZINC000032914020 563411651 /nfs/dbraw/zinc/41/16/51/563411651.db2.gz SXSHMJXVOUWCRZ-KBPBESRZSA-N 0 0 317.816 4.123 50 0 DIAARN C[C@@H](Oc1ccccc1)C(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000032915467 563412195 /nfs/dbraw/zinc/41/21/95/563412195.db2.gz XMWGLDNUTFJVFH-CZUORRHYSA-N 0 0 317.454 4.419 50 0 DIAARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(C)cc3C)c2)n1 ZINC000032915512 563412238 /nfs/dbraw/zinc/41/22/38/563412238.db2.gz AVDVNSZWMHBWTC-UHFFFAOYSA-N 0 0 319.408 4.358 50 0 DIAARN N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)N1CCCCCC1 ZINC000000284069 563413614 /nfs/dbraw/zinc/41/36/14/563413614.db2.gz LQUUZPVTRSREGR-VKAVYKQESA-N 0 0 320.392 4.256 50 0 DIAARN Cc1ccsc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000032931244 563413878 /nfs/dbraw/zinc/41/38/78/563413878.db2.gz PRHSWGVHCLCOQN-CYBMUJFWSA-N 0 0 303.427 4.335 50 0 DIAARN C[C@H](Cc1ccccc1Cl)NC(=O)CCc1cccs1 ZINC000032930645 563414349 /nfs/dbraw/zinc/41/43/49/563414349.db2.gz QFFPIEVAEFUVIF-GFCCVEGCSA-N 0 0 307.846 4.082 50 0 DIAARN CC(C)c1csc(NC(=O)c2ccc3ncsc3c2)n1 ZINC000010637126 563415788 /nfs/dbraw/zinc/41/57/88/563415788.db2.gz QWIJZGIYZYOHTK-UHFFFAOYSA-N 0 0 303.412 4.129 50 0 DIAARN Fc1ccccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019849821 563416259 /nfs/dbraw/zinc/41/62/59/563416259.db2.gz DIXMKRYCORIDCC-UHFFFAOYSA-N 0 0 320.411 4.301 50 0 DIAARN CCCc1cc(C(=O)N2CCCc3cc(C(C)C)ccc32)n[nH]1 ZINC000072011823 563417794 /nfs/dbraw/zinc/41/77/94/563417794.db2.gz DRRVCSIIJVUIMC-UHFFFAOYSA-N 0 0 311.429 4.079 50 0 DIAARN c1cn(CCCCOc2ccc(OCc3ccccc3)cc2)cn1 ZINC000006110481 563420127 /nfs/dbraw/zinc/42/01/27/563420127.db2.gz KURMERBCWIVUHP-UHFFFAOYSA-N 0 0 322.408 4.321 50 0 DIAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCOc2ccccc21 ZINC000024585979 563420497 /nfs/dbraw/zinc/42/04/97/563420497.db2.gz HEAFOOJYOKEWLN-UHFFFAOYSA-N 0 0 323.323 4.125 50 0 DIAARN O=C(NCc1ccncc1)Nc1cccc(-c2ccsc2)c1 ZINC000069892709 563420774 /nfs/dbraw/zinc/42/07/74/563420774.db2.gz KAZKXJFYQLSAQF-UHFFFAOYSA-N 0 0 309.394 4.132 50 0 DIAARN Cc1cccc(COc2cccc(C(=O)NC3CCCC3)c2)c1 ZINC000025320203 563421885 /nfs/dbraw/zinc/42/18/85/563421885.db2.gz LJEFUSKKQYVOEJ-UHFFFAOYSA-N 0 0 309.409 4.246 50 0 DIAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)s1 ZINC000025297051 563421962 /nfs/dbraw/zinc/42/19/62/563421962.db2.gz AZRBJMOAVJNAPZ-SNVBAGLBSA-N 0 0 311.353 4.149 50 0 DIAARN COc1cc(F)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000025312850 563422150 /nfs/dbraw/zinc/42/21/50/563422150.db2.gz SWJBXEHJHRTMCG-UHFFFAOYSA-N 0 0 318.735 4.221 50 0 DIAARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccccc3)cc2s1 ZINC000025425830 563422629 /nfs/dbraw/zinc/42/26/29/563422629.db2.gz PBRLHHXPSJESGX-NSHDSACASA-N 0 0 311.410 4.044 50 0 DIAARN CC(C)CNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000025527965 563423395 /nfs/dbraw/zinc/42/33/95/563423395.db2.gz GIDFKPNLKRXFRV-ZIAGYGMSSA-N 0 0 316.470 4.342 50 0 DIAARN CC(C)CNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000025527960 563423428 /nfs/dbraw/zinc/42/34/28/563423428.db2.gz GIDFKPNLKRXFRV-KBPBESRZSA-N 0 0 316.470 4.342 50 0 DIAARN Cc1noc(C)c1CN(C(=O)c1cccs1)c1ccccc1 ZINC000025884263 563424240 /nfs/dbraw/zinc/42/42/40/563424240.db2.gz ITXJFGKQWGSFSJ-UHFFFAOYSA-N 0 0 312.394 4.200 50 0 DIAARN Cc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)n1 ZINC000025935127 563424360 /nfs/dbraw/zinc/42/43/60/563424360.db2.gz DJCUGPPJZFDDEA-UHFFFAOYSA-N 0 0 319.364 4.175 50 0 DIAARN CC(=O)c1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 ZINC000026015028 563424599 /nfs/dbraw/zinc/42/45/99/563424599.db2.gz UJYKVAKNHABOSY-UHFFFAOYSA-N 0 0 311.312 4.262 50 0 DIAARN CN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026291277 563424974 /nfs/dbraw/zinc/42/49/74/563424974.db2.gz HAVKGQDXEDVJND-MNOVXSKESA-N 0 0 320.380 4.011 50 0 DIAARN CC(C)c1ccc([C@H](NC(=O)C2CCOCC2)C(C)C)cc1 ZINC000026393060 563426150 /nfs/dbraw/zinc/42/61/50/563426150.db2.gz FMUDYQGIEZEZNR-GOSISDBHSA-N 0 0 303.446 4.050 50 0 DIAARN CC(=O)c1c(=O)cc(C)oc1Nc1cc(Cl)cc(Cl)c1 ZINC000027027866 563427182 /nfs/dbraw/zinc/42/71/82/563427182.db2.gz BLUIJZNWWSCAOO-UHFFFAOYSA-N 0 0 312.152 4.201 50 0 DIAARN COc1cccc(C(=O)N[C@H](C)c2cccc3ccccc32)c1O ZINC000014117756 563427455 /nfs/dbraw/zinc/42/74/55/563427455.db2.gz ZIXIYGXSWRIVJI-CYBMUJFWSA-N 0 0 321.376 4.045 50 0 DIAARN Cc1ccnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 ZINC000027647407 563428806 /nfs/dbraw/zinc/42/88/06/563428806.db2.gz AXVDBKLYWGGKFO-UHFFFAOYSA-N 0 0 318.804 4.150 50 0 DIAARN O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1F ZINC000027662954 563429258 /nfs/dbraw/zinc/42/92/58/563429258.db2.gz ACYSPEVDFWEDLE-UHFFFAOYSA-N 0 0 316.719 4.386 50 0 DIAARN Cc1ccc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000027742226 563429529 /nfs/dbraw/zinc/42/95/29/563429529.db2.gz WLNSPJKCBDBYAE-UHFFFAOYSA-N 0 0 314.291 4.181 50 0 DIAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000027794545 563429912 /nfs/dbraw/zinc/42/99/12/563429912.db2.gz ZCFVFAOCFAXRCT-SNVBAGLBSA-N 0 0 324.380 4.415 50 0 DIAARN CC[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1 ZINC000028252579 563430666 /nfs/dbraw/zinc/43/06/66/563430666.db2.gz GSPVGRLMYQFGJO-ZDUSSCGKSA-N 0 0 311.410 4.271 50 0 DIAARN Cc1cn2nc(N[C@H](C)c3cccc4ccccc43)sc2n1 ZINC000028069163 563430774 /nfs/dbraw/zinc/43/07/74/563430774.db2.gz MDRHXSTVRKDPRM-GFCCVEGCSA-N 0 0 308.410 4.426 50 0 DIAARN Cc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)s1 ZINC000028291797 563431491 /nfs/dbraw/zinc/43/14/91/563431491.db2.gz CEEOICFIFMBTKL-UHFFFAOYSA-N 0 0 315.423 4.136 50 0 DIAARN Cc1ccc(SC[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028403398 563431734 /nfs/dbraw/zinc/43/17/34/563431734.db2.gz LHEVISICGQGQTD-CQSZACIVSA-N 0 0 308.830 4.180 50 0 DIAARN CCCN(CCC)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000072281896 563432735 /nfs/dbraw/zinc/43/27/35/563432735.db2.gz HBCMWAKJDLVKLJ-UHFFFAOYSA-N 0 0 324.350 4.184 50 0 DIAARN O=C(N1CC[C@@H]2CCCC[C@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000028896427 563432792 /nfs/dbraw/zinc/43/27/92/563432792.db2.gz XRLSYGXRAVSIMK-XOUIXPDISA-N 0 0 301.474 4.242 50 0 DIAARN Fc1ccccc1CSc1nnc(CCC2CCCC2)[nH]1 ZINC000028778485 563432849 /nfs/dbraw/zinc/43/28/49/563432849.db2.gz ILWYGOLNIHWTNK-UHFFFAOYSA-N 0 0 305.422 4.359 50 0 DIAARN Cc1nnc([C@@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)o1 ZINC000072281414 563433243 /nfs/dbraw/zinc/43/32/43/563433243.db2.gz DXBAFVAEEMVLIX-CQSZACIVSA-N 0 0 322.412 4.188 50 0 DIAARN Cc1csc(SCc2noc(-c3ccc(Cl)cc3)n2)n1 ZINC000029385625 563433834 /nfs/dbraw/zinc/43/38/34/563433834.db2.gz YIVKNFWPIUVBKF-UHFFFAOYSA-N 0 0 323.830 4.447 50 0 DIAARN CN(C)[C@@H](CNc1nc2ccccc2o1)c1ccccc1Cl ZINC000029336022 563433891 /nfs/dbraw/zinc/43/38/91/563433891.db2.gz GQLBWGFJDUCKFE-HNNXBMFYSA-N 0 0 315.804 4.196 50 0 DIAARN CNc1nc(S[C@@H](C)C(=O)c2ccccc2)nc2ccccc21 ZINC000029424967 563434172 /nfs/dbraw/zinc/43/41/72/563434172.db2.gz JBFIUCOTISXPLF-LBPRGKRZSA-N 0 0 323.421 4.035 50 0 DIAARN CCN(CCCNC(=O)c1cc(C)c(C)s1)c1ccccc1 ZINC000029955614 563435906 /nfs/dbraw/zinc/43/59/06/563435906.db2.gz YFACMVQMUWTTFF-UHFFFAOYSA-N 0 0 316.470 4.011 50 0 DIAARN CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCCc2ccccc21 ZINC000029883153 563436268 /nfs/dbraw/zinc/43/62/68/563436268.db2.gz UYVQPYBPGVBWLD-INIZCTEOSA-N 0 0 311.450 4.386 50 0 DIAARN C[C@H]1c2cccn2CCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000030263658 563437091 /nfs/dbraw/zinc/43/70/91/563437091.db2.gz FLNHWCRFLLDRLD-ZDUSSCGKSA-N 0 0 314.454 4.036 50 0 DIAARN Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1cccs1 ZINC000030813337 563438858 /nfs/dbraw/zinc/43/88/58/563438858.db2.gz ZZZACXLTDZKOSW-UHFFFAOYSA-N 0 0 318.423 4.045 50 0 DIAARN CC(C)Cc1cc(-c2ccc(Br)cc2)cc(N)n1 ZINC000030835701 563438991 /nfs/dbraw/zinc/43/89/91/563438991.db2.gz UPWHTHGIWMMERY-UHFFFAOYSA-N 0 0 305.219 4.292 50 0 DIAARN O=C(c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071563 563439470 /nfs/dbraw/zinc/43/94/70/563439470.db2.gz RRLWIEGQUIGLBS-UHFFFAOYSA-N 0 0 302.377 4.097 50 0 DIAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccs1 ZINC000048339802 563443151 /nfs/dbraw/zinc/44/31/51/563443151.db2.gz CEWRCQMFRVULEN-UHFFFAOYSA-N 0 0 300.210 4.327 50 0 DIAARN COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1 ZINC000071288071 563445773 /nfs/dbraw/zinc/44/57/73/563445773.db2.gz WPAAMJZVTAQTJU-AWEZNQCLSA-N 0 0 317.414 4.064 50 0 DIAARN COC(=O)c1cccc(Nc2cc(C)nc3c(OC)cccc23)c1 ZINC000000107255 563446735 /nfs/dbraw/zinc/44/67/35/563446735.db2.gz DNKXMXAFERLZGN-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN O=C1O[C@@](Oc2ccccc2)(c2ccccc2)c2ccccc21 ZINC000000174535 563446814 /nfs/dbraw/zinc/44/68/14/563446814.db2.gz BXSVDIXBJXSAPS-FQEVSTJZSA-N 0 0 302.329 4.137 50 0 DIAARN O=C(Nc1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000000250086 563447560 /nfs/dbraw/zinc/44/75/60/563447560.db2.gz CJZIHJVRGBBKBG-UHFFFAOYSA-N 0 0 321.355 4.456 50 0 DIAARN Cc1ccc(C(O)=C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000000438603 563447563 /nfs/dbraw/zinc/44/75/63/563447563.db2.gz ZIYHRGUBISKEQW-INIZCTEOSA-N 0 0 308.299 4.018 50 0 DIAARN C/C=C\c1ccc(OCc2nc3ccccc3n2C)c(OC)c1 ZINC000004810395 563449638 /nfs/dbraw/zinc/44/96/38/563449638.db2.gz HTCRFRFWYCVNPM-DAXSKMNVSA-N 0 0 308.381 4.194 50 0 DIAARN CCOC(=O)C=C(Nc1ccc(Cl)cc1)c1ccccc1 ZINC000034500089 563449660 /nfs/dbraw/zinc/44/96/60/563449660.db2.gz WLNXDNXNELJZNO-VBKFSLOCSA-N 0 0 301.773 4.356 50 0 DIAARN Cc1cccc(NC(=O)OCCOc2ccc(Cl)cc2)c1 ZINC000002893375 563449678 /nfs/dbraw/zinc/44/96/78/563449678.db2.gz ZLTXVHOQCHBYSJ-UHFFFAOYSA-N 0 0 305.761 4.276 50 0 DIAARN O=C(Nc1cccc(Cl)c1)OCCOc1cccc(F)c1 ZINC000002893378 563449680 /nfs/dbraw/zinc/44/96/80/563449680.db2.gz XXBWOTHLJGITPJ-UHFFFAOYSA-N 0 0 309.724 4.107 50 0 DIAARN COc1cc2cc(O)c(C)c(NCc3ccco3)c2cc1OC ZINC000005336574 563450381 /nfs/dbraw/zinc/45/03/81/563450381.db2.gz SHRIMCROCIYIJM-UHFFFAOYSA-N 0 0 313.353 4.076 50 0 DIAARN O=c1c(CNc2cccc(F)c2)coc2ccc(Cl)cc12 ZINC000023282275 563450670 /nfs/dbraw/zinc/45/06/70/563450670.db2.gz QYQNMMRFTDGDPW-UHFFFAOYSA-N 0 0 303.720 4.198 50 0 DIAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000035476498 563452709 /nfs/dbraw/zinc/45/27/09/563452709.db2.gz ILYHAPUQDBEZTA-MRXNPFEDSA-N 0 0 324.380 4.093 50 0 DIAARN Nc1c2ccc(-c3cccnc3)nc2sc1-c1ccncc1 ZINC000036359582 563454629 /nfs/dbraw/zinc/45/46/29/563454629.db2.gz GVDJDFFJXAOATO-UHFFFAOYSA-N 0 0 304.378 4.003 50 0 DIAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000036619723 563455448 /nfs/dbraw/zinc/45/54/48/563455448.db2.gz ZTVCNBZYQUIDNY-KRWDZBQOSA-N 0 0 314.816 4.387 50 0 DIAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(F)c2)cc1 ZINC000036621058 563455813 /nfs/dbraw/zinc/45/58/13/563455813.db2.gz IHDLCSBFMWWFSA-QGZVFWFLSA-N 0 0 314.360 4.203 50 0 DIAARN Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(F)cc1 ZINC000036620834 563455834 /nfs/dbraw/zinc/45/58/34/563455834.db2.gz UYKNEPDJILQZCW-GOSISDBHSA-N 0 0 312.388 4.181 50 0 DIAARN COc1ccc(COc2ccc(Br)cc2)cc1F ZINC000036922716 563457349 /nfs/dbraw/zinc/45/73/49/563457349.db2.gz QKJXGGYRFNVJQI-UHFFFAOYSA-N 0 0 311.150 4.176 50 0 DIAARN CC1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1 ZINC000037377716 563457993 /nfs/dbraw/zinc/45/79/93/563457993.db2.gz SFTRVIPMUUURIN-UHFFFAOYSA-N 0 0 303.793 4.159 50 0 DIAARN Cc1cccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c1 ZINC000071890716 563458521 /nfs/dbraw/zinc/45/85/21/563458521.db2.gz KTROXQNVWOXPRY-UHFFFAOYSA-N 0 0 318.336 4.126 50 0 DIAARN CC[C@@H](C)c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 ZINC000071890722 563458629 /nfs/dbraw/zinc/45/86/29/563458629.db2.gz BTCHVLPCQIFIAZ-SNVBAGLBSA-N 0 0 312.373 4.444 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)no1 ZINC000032996299 563459496 /nfs/dbraw/zinc/45/94/96/563459496.db2.gz YFFRBMGWNBCLPK-UHFFFAOYSA-N 0 0 322.368 4.306 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)N(C)c3cccc(C)c3)cc2)no1 ZINC000032996354 563460321 /nfs/dbraw/zinc/46/03/21/563460321.db2.gz NHFVIESMTJSSGO-UHFFFAOYSA-N 0 0 322.368 4.022 50 0 DIAARN Cc1ccc(-c2ncc(NC(=O)c3ccccc3Cl)cn2)cc1 ZINC000097938534 563460872 /nfs/dbraw/zinc/46/08/72/563460872.db2.gz SMOKAOFOTHRGHP-UHFFFAOYSA-N 0 0 323.783 4.358 50 0 DIAARN COc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000044845753 563462973 /nfs/dbraw/zinc/46/29/73/563462973.db2.gz FVDVEINXVNSPTJ-NSHDSACASA-N 0 0 304.777 4.231 50 0 DIAARN CCC(CC)N(CC(C)C)C(=O)c1cccc(NC(=O)OC)c1 ZINC000072312791 563465443 /nfs/dbraw/zinc/46/54/43/563465443.db2.gz CGGXHOBWIKOCPG-UHFFFAOYSA-N 0 0 320.433 4.152 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)on1 ZINC000047346899 563466018 /nfs/dbraw/zinc/46/60/18/563466018.db2.gz NFSNMPSWMJVQEO-CQSZACIVSA-N 0 0 319.792 4.314 50 0 DIAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2C)on1 ZINC000047326086 563466069 /nfs/dbraw/zinc/46/60/69/563466069.db2.gz MGNAFUWGHLGYCI-AWEZNQCLSA-N 0 0 319.792 4.314 50 0 DIAARN O=C(C=Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000013738999 563469733 /nfs/dbraw/zinc/46/97/33/563469733.db2.gz HBVDZCSDNKZYBX-IZZDOVSWSA-N 0 0 323.783 4.382 50 0 DIAARN COCCN(Cc1nc(C(C)C)cs1)Cc1sccc1C ZINC000055154756 563471553 /nfs/dbraw/zinc/47/15/53/563471553.db2.gz MFTGWZQOZUDPRG-UHFFFAOYSA-N 0 0 324.515 4.285 50 0 DIAARN CC[C@H](C)N(Cc1sccc1C)C(=O)CCc1ccncc1 ZINC000055253511 563472640 /nfs/dbraw/zinc/47/26/40/563472640.db2.gz XSMWSGHAXASUJN-HNNXBMFYSA-N 0 0 316.470 4.211 50 0 DIAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc3ccccc3s2)c1 ZINC000055197622 563473035 /nfs/dbraw/zinc/47/30/35/563473035.db2.gz QXRGGRUYALOGMV-CQSZACIVSA-N 0 0 324.449 4.308 50 0 DIAARN CC[C@@H](C)N(Cc1ccsc1)C(=O)Cc1nc(C)sc1C ZINC000055308082 563473603 /nfs/dbraw/zinc/47/36/03/563473603.db2.gz AGWUINGTCWFQKR-LLVKDONJSA-N 0 0 322.499 4.191 50 0 DIAARN Cc1cc(N[C@H](C)c2cnn(C)c2)nc2cc(Cl)ccc12 ZINC000055281336 563473678 /nfs/dbraw/zinc/47/36/78/563473678.db2.gz LDRLSZIUIHWRJF-LLVKDONJSA-N 0 0 300.793 4.103 50 0 DIAARN CC(C)CC[C@H](c1ccccc1)N(C)C(=O)Cc1ccncc1 ZINC000055326494 563474252 /nfs/dbraw/zinc/47/42/52/563474252.db2.gz IEZRXRXLRXZOSP-LJQANCHMSA-N 0 0 310.441 4.260 50 0 DIAARN CC[C@@H](C)N(Cc1sccc1C)C(=O)CC1CCOCC1 ZINC000055341617 563474368 /nfs/dbraw/zinc/47/43/68/563474368.db2.gz UPOBTCPCOQPFCT-CQSZACIVSA-N 0 0 309.475 4.000 50 0 DIAARN Cc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)CC(C)C)o1 ZINC000055341559 563474422 /nfs/dbraw/zinc/47/44/22/563474422.db2.gz BZWOWXOITTYIRE-DHZHZOJOSA-N 0 0 312.413 4.103 50 0 DIAARN CC[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccn(C)c1 ZINC000055325772 563474581 /nfs/dbraw/zinc/47/45/81/563474581.db2.gz LMXYPPHPKFRHET-CQSZACIVSA-N 0 0 318.848 4.048 50 0 DIAARN CC[C@H](C)N(Cc1cccnc1)C(=O)c1cccc2cnccc21 ZINC000055357702 563474590 /nfs/dbraw/zinc/47/45/90/563474590.db2.gz RDFNMNGKCPLHAM-HNNXBMFYSA-N 0 0 319.408 4.071 50 0 DIAARN CC[C@@H](C)N(Cc1ccccc1F)C(=O)c1ccc(COC)o1 ZINC000055343622 563474788 /nfs/dbraw/zinc/47/47/88/563474788.db2.gz LTZDPBZAMUHLTH-CYBMUJFWSA-N 0 0 319.376 4.006 50 0 DIAARN CCN(C/C=C/c1ccccc1)C(=O)c1ccc(C(C)=O)s1 ZINC000055575258 563476252 /nfs/dbraw/zinc/47/62/52/563476252.db2.gz ASBDULXMBWVYPK-JXMROGBWSA-N 0 0 313.422 4.126 50 0 DIAARN C[C@@H](N[C@@H](C)c1ccncc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000095427060 563477821 /nfs/dbraw/zinc/47/78/21/563477821.db2.gz ZTAAURZINKAKGE-WDEREUQCSA-N 0 0 300.793 4.023 50 0 DIAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2F)s1 ZINC000033049101 563478065 /nfs/dbraw/zinc/47/80/65/563478065.db2.gz KYMULNYWEIVDOD-UHFFFAOYSA-N 0 0 302.330 4.103 50 0 DIAARN C[C@@H](N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)c1ccncc1 ZINC000095427059 563478068 /nfs/dbraw/zinc/47/80/68/563478068.db2.gz ZTAAURZINKAKGE-MNOVXSKESA-N 0 0 300.793 4.023 50 0 DIAARN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000058157600 563478731 /nfs/dbraw/zinc/47/87/31/563478731.db2.gz NSZJELLPEGWZIX-OXJNMPFZSA-N 0 0 324.468 4.137 50 0 DIAARN O=C(Nc1cc(-c2ccccc2)on1)[C@H]1CSc2ccccc21 ZINC000175870962 563479452 /nfs/dbraw/zinc/47/94/52/563479452.db2.gz 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WZSCVXLLRNOBKO-UHFFFAOYSA-N 0 0 320.795 4.070 50 0 DIAARN COc1ccc(Cl)cc1[C@@H](C)N[C@H](C)c1c(C)noc1C ZINC000096477626 563484690 /nfs/dbraw/zinc/48/46/90/563484690.db2.gz MBWXCBLCYWFQQQ-NXEZZACHSA-N 0 0 308.809 4.365 50 0 DIAARN Cc1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 ZINC000064658171 563486368 /nfs/dbraw/zinc/48/63/68/563486368.db2.gz LUJXAUJAUXZCLO-UHFFFAOYSA-N 0 0 313.426 4.151 50 0 DIAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)on1 ZINC000064985002 563486864 /nfs/dbraw/zinc/48/68/64/563486864.db2.gz SICWNGWHVQYOOX-CQSZACIVSA-N 0 0 319.792 4.259 50 0 DIAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064985056 563486931 /nfs/dbraw/zinc/48/69/31/563486931.db2.gz TUHPXFKHXOLWHD-INIZCTEOSA-N 0 0 313.401 4.475 50 0 DIAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2CC)on1 ZINC000064985111 563487071 /nfs/dbraw/zinc/48/70/71/563487071.db2.gz UHXWGCJGCWEPJT-INIZCTEOSA-N 0 0 313.401 4.168 50 0 DIAARN Cc1ccc(-c2noc([C@@H](C)n3ccnc3C(C)(C)C)n2)cc1 ZINC000067643457 563488920 /nfs/dbraw/zinc/48/89/20/563488920.db2.gz UWYQNTHHHRJXNT-CYBMUJFWSA-N 0 0 310.401 4.148 50 0 DIAARN COCC(=O)Nc1ccccc1-c1cccc(Cl)c1Cl ZINC000067697427 563489344 /nfs/dbraw/zinc/48/93/44/563489344.db2.gz HDPWDLISGYHNED-UHFFFAOYSA-N 0 0 310.180 4.245 50 0 DIAARN CN(C)C(=O)c1ccc(-c2ccccc2-c2ccccc2)nc1 ZINC000067786447 563490551 /nfs/dbraw/zinc/49/05/51/563490551.db2.gz JGIMRAPKVBZSHZ-UHFFFAOYSA-N 0 0 302.377 4.117 50 0 DIAARN CC(C)n1c(CN(C)[C@H](C)c2ccccn2)nc2ccccc21 ZINC000067834251 563491166 /nfs/dbraw/zinc/49/11/66/563491166.db2.gz FFQHOZPQWAGITN-OAHLLOKOSA-N 0 0 308.429 4.205 50 0 DIAARN Cc1cn(Cc2nc(-c3ccccc3Cl)oc2C)c(C)n1 ZINC000067871517 563492128 /nfs/dbraw/zinc/49/21/28/563492128.db2.gz FYKZIIIGFCRMQN-UHFFFAOYSA-N 0 0 301.777 4.165 50 0 DIAARN Cc1cc([C@H]2CCCN2C(=O)c2[nH]c3ccc(C)cc3c2C)on1 ZINC000067935191 563493918 /nfs/dbraw/zinc/49/39/18/563493918.db2.gz XZUSKMJQRWJIPN-MRXNPFEDSA-N 0 0 323.396 4.058 50 0 DIAARN Cc1ccc(Cl)c(C(=O)N(C)Cc2cnc3ccccc3c2)c1 ZINC000067973990 563494002 /nfs/dbraw/zinc/49/40/02/563494002.db2.gz UMIDGAWWXMXYQG-UHFFFAOYSA-N 0 0 324.811 4.469 50 0 DIAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(C)cc1 ZINC000033086154 563496495 /nfs/dbraw/zinc/49/64/95/563496495.db2.gz CWKRAKXRNLLIRX-UHFFFAOYSA-N 0 0 320.396 4.012 50 0 DIAARN Cc1nc(-c2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)no1 ZINC000033077086 563496560 /nfs/dbraw/zinc/49/65/60/563496560.db2.gz QIEKVLPXRFEARM-UHFFFAOYSA-N 0 0 322.368 4.306 50 0 DIAARN CCCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000033084559 563496607 /nfs/dbraw/zinc/49/66/07/563496607.db2.gz YJDWUMUHGSMLTF-UHFFFAOYSA-N 0 0 311.429 4.272 50 0 DIAARN Cc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 ZINC000000037952 563498170 /nfs/dbraw/zinc/49/81/70/563498170.db2.gz YZUOXXDCYNUJFX-UHFFFAOYSA-N 0 0 300.741 4.334 50 0 DIAARN C[C@@]12c3ccccc3CC[C@]1(C)OC(=O)N2CCc1ccccc1 ZINC000004686493 563498411 /nfs/dbraw/zinc/49/84/11/563498411.db2.gz KAINGYYOEYQZJU-LEWJYISDSA-N 0 0 321.420 4.302 50 0 DIAARN Clc1ccc(-c2cnn3c2nccc3-c2ccccn2)cc1 ZINC000071375453 563498837 /nfs/dbraw/zinc/49/88/37/563498837.db2.gz MVLAKJAEYPTNHW-UHFFFAOYSA-N 0 0 306.756 4.112 50 0 DIAARN CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1OC ZINC000071385475 563499056 /nfs/dbraw/zinc/49/90/56/563499056.db2.gz LHTSGXQKPXMDOW-UHFFFAOYSA-N 0 0 305.761 4.489 50 0 DIAARN CCc1nc(-c2nccn2[C@@H](C)Cc2ccsc2)c(C)[nH]1 ZINC000071388786 563499266 /nfs/dbraw/zinc/49/92/66/563499266.db2.gz GXMAFZJXXLMBCR-NSHDSACASA-N 0 0 300.431 4.009 50 0 DIAARN Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000071774953 563500903 /nfs/dbraw/zinc/50/09/03/563500903.db2.gz JHIWXANLQYCVLK-SJORKVTESA-N 0 0 322.408 4.078 50 0 DIAARN Cc1cc(C(=O)NC[C@H](C)c2ccccc2)c2cccc(C)c2n1 ZINC000033252834 563501914 /nfs/dbraw/zinc/50/19/14/563501914.db2.gz ZQZFVBUAOWRMAI-HNNXBMFYSA-N 0 0 318.420 4.385 50 0 DIAARN CCc1nc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)no1 ZINC000033254230 563501941 /nfs/dbraw/zinc/50/19/41/563501941.db2.gz BMRDUYNPLWDBAT-UHFFFAOYSA-N 0 0 321.380 4.168 50 0 DIAARN Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000033254327 563502231 /nfs/dbraw/zinc/50/22/31/563502231.db2.gz VKRMBZDQGNOTSY-UHFFFAOYSA-N 0 0 319.364 4.175 50 0 DIAARN CC1CCN(c2ccc(-c3noc(-c4ccccn4)n3)cc2)CC1 ZINC000033255407 563502461 /nfs/dbraw/zinc/50/24/61/563502461.db2.gz ZEKMJMLHNZJDGW-UHFFFAOYSA-N 0 0 320.396 4.035 50 0 DIAARN Cc1ccc([C@H](NC(=O)COc2ccc(C)c(C)c2)C2CC2)cc1 ZINC000011234284 563504095 /nfs/dbraw/zinc/50/40/95/563504095.db2.gz JMLDXMCQGKKUDC-NRFANRHFSA-N 0 0 323.436 4.258 50 0 DIAARN CC(C)CN(CC(C)C)C(=O)c1ccccc1C(F)(F)F ZINC000075244184 563504888 /nfs/dbraw/zinc/50/48/88/563504888.db2.gz ATSDCNYDZBZBPV-UHFFFAOYSA-N 0 0 301.352 4.460 50 0 DIAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)[C@@H]1CCCO1 ZINC000000035712 563506811 /nfs/dbraw/zinc/50/68/11/563506811.db2.gz PBGURQHFCPVZKE-INIZCTEOSA-N 0 0 324.405 4.081 50 0 DIAARN Cc1nc(C(=O)O[C@@H](C)c2nccs2)c(-c2ccccc2)o1 ZINC000097136954 563506969 /nfs/dbraw/zinc/50/69/69/563506969.db2.gz YJIDPQIPJUUOKU-JTQLQIEISA-N 0 0 314.366 4.025 50 0 DIAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000077344153 563509176 /nfs/dbraw/zinc/50/91/76/563509176.db2.gz QOXAQZDBHLSHHD-SFHVURJKSA-N 0 0 322.452 4.081 50 0 DIAARN CC(C)C[C@H](O)C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000077340262 563509446 /nfs/dbraw/zinc/50/94/46/563509446.db2.gz LAXSFRQVBBRGDX-KRWDZBQOSA-N 0 0 313.844 4.098 50 0 DIAARN O=C(c1cccc(F)c1F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077437623 563509942 /nfs/dbraw/zinc/50/99/42/563509942.db2.gz XGHYYJHKCSRDAO-MRXNPFEDSA-N 0 0 319.326 4.471 50 0 DIAARN O=C(c1cc(-c2ccccc2)on1)N1CC[C@H]1c1ccc(F)cc1 ZINC000077421375 563510248 /nfs/dbraw/zinc/51/02/48/563510248.db2.gz BXWUSUFPQHEVPC-KRWDZBQOSA-N 0 0 322.339 4.068 50 0 DIAARN Cc1c(O)cccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077408357 563510356 /nfs/dbraw/zinc/51/03/56/563510356.db2.gz CWVVWBLJVNKKLV-KRWDZBQOSA-N 0 0 313.372 4.207 50 0 DIAARN CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000000044985 563511508 /nfs/dbraw/zinc/51/15/08/563511508.db2.gz DKNGDCKQSSMMDP-VZUCSPMQSA-N 0 0 323.392 4.365 50 0 DIAARN COCCC[C@@H]1CCCCN1C(=O)c1cccc2ccccc21 ZINC000077534795 563512133 /nfs/dbraw/zinc/51/21/33/563512133.db2.gz DGGUTXPWXXAYSL-KRWDZBQOSA-N 0 0 311.425 4.261 50 0 DIAARN Brc1ccccc1-c1nnc2ccc3ccccc3n21 ZINC000000052654 563514092 /nfs/dbraw/zinc/51/40/92/563514092.db2.gz HLPYXRGFJPDEEC-UHFFFAOYSA-N 0 0 324.181 4.312 50 0 DIAARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000000060377 563517163 /nfs/dbraw/zinc/51/71/63/563517163.db2.gz HUGHGOGHBVKYGN-UHFFFAOYSA-N 0 0 304.345 4.485 50 0 biogenic DIAARN O=C(OCc1cccc2cccnc21)c1cc2ccccc2[nH]1 ZINC000011283450 563519143 /nfs/dbraw/zinc/51/91/43/563519143.db2.gz FTYFPODNRBVWRI-UHFFFAOYSA-N 0 0 302.333 4.073 50 0 DIAARN Cc1csc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)n1 ZINC000033314821 563519536 /nfs/dbraw/zinc/51/95/36/563519536.db2.gz JQIIHMRTXWUMRY-HYXAFXHYSA-N 0 0 313.209 4.410 50 0 DIAARN O=C(Nc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 ZINC000084459826 563519724 /nfs/dbraw/zinc/51/97/24/563519724.db2.gz QPSXIEBPZQMHPJ-UHFFFAOYSA-N 0 0 313.376 4.460 50 0 DIAARN COc1ccc(CNC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000033317215 563519850 /nfs/dbraw/zinc/51/98/50/563519850.db2.gz OEANTZMZCBAPMG-JYRVWZFOSA-N 0 0 309.409 4.148 50 0 DIAARN O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000069906 563519969 /nfs/dbraw/zinc/51/99/69/563519969.db2.gz UQAQVHFSVMUPRG-UHFFFAOYSA-N 0 0 321.612 4.480 50 0 DIAARN Cc1cc(SCC(=O)Nc2ccccc2)nc2ccccc12 ZINC000000076450 563523595 /nfs/dbraw/zinc/52/35/95/563523595.db2.gz JGJIRRNEVOEPKZ-UHFFFAOYSA-N 0 0 308.406 4.274 50 0 DIAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000011427163 563526356 /nfs/dbraw/zinc/52/63/56/563526356.db2.gz FIKXAXPLRHBFBU-UHFFFAOYSA-N 0 0 317.772 4.062 50 0 DIAARN Cc1cccc(CSc2ncc(CO)n2Cc2ccccc2)c1 ZINC000009529113 563527011 /nfs/dbraw/zinc/52/70/11/563527011.db2.gz QWJZWIPSNYDFIC-UHFFFAOYSA-N 0 0 324.449 4.024 50 0 DIAARN Clc1ccc(CO[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000095918118 563530580 /nfs/dbraw/zinc/53/05/80/563530580.db2.gz HHXMNSHRQAAZSE-GOSISDBHSA-N 0 0 312.800 4.495 50 0 DIAARN Clc1cccc(N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000095934551 563531309 /nfs/dbraw/zinc/53/13/09/563531309.db2.gz XHOCKWIJWIXZQZ-UHFFFAOYSA-N 0 0 307.224 4.320 50 0 DIAARN Cc1cnn(C2CCCC2)c1NC(=O)N[C@@H](C)c1ccsc1 ZINC000096152537 563534909 /nfs/dbraw/zinc/53/49/09/563534909.db2.gz RZZANZKQAACRQS-LBPRGKRZSA-N 0 0 318.446 4.251 50 0 DIAARN CCN(CC)C(=O)c1cccc(-c2ccc(-c3cnco3)cc2)c1 ZINC000096164592 563534912 /nfs/dbraw/zinc/53/49/12/563534912.db2.gz SBKANQXCMREHRO-UHFFFAOYSA-N 0 0 320.392 4.491 50 0 DIAARN COc1cc(-c2ccc(-c3cnco3)cc2)cc(OC)c1OC ZINC000096180263 563535450 /nfs/dbraw/zinc/53/54/50/563535450.db2.gz SUNWAVDVCFLRFY-UHFFFAOYSA-N 0 0 311.337 4.034 50 0 DIAARN COc1ccccc1OCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000011637337 563539121 /nfs/dbraw/zinc/53/91/21/563539121.db2.gz IGPHHMSNEUJLBV-UHFFFAOYSA-N 0 0 313.397 4.226 50 0 DIAARN COc1ccc2c(C)c(C(=O)N3CCC4(CCCC4)C3)oc2c1 ZINC000097505322 563539503 /nfs/dbraw/zinc/53/95/03/563539503.db2.gz IFWBXTIBUIOXKX-UHFFFAOYSA-N 0 0 313.397 4.156 50 0 DIAARN CC(C)c1nc(CN2CCC[C@@H]2c2nc3ccccc3n2C)co1 ZINC000097675449 563541289 /nfs/dbraw/zinc/54/12/89/563541289.db2.gz BHLJFBDCZBXWFY-QGZVFWFLSA-N 0 0 324.428 4.022 50 0 DIAARN O=C1CCCC(=O)C1[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671663 563552688 /nfs/dbraw/zinc/55/26/88/563552688.db2.gz HYRDQLSRNDNBML-MOPGFXCFSA-N 0 0 310.324 4.484 50 0 DIAARN Clc1ccc([C@H]2CC(c3cccs3)=Nc3ncnn32)cc1 ZINC000100716825 563553263 /nfs/dbraw/zinc/55/32/63/563553263.db2.gz HMJBJENBLPCCGC-CYBMUJFWSA-N 0 0 314.801 4.049 50 0 DIAARN CCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccccc1 ZINC000101126875 563556200 /nfs/dbraw/zinc/55/62/00/563556200.db2.gz PYRNXSINFORHRE-VHEBQXMUSA-N 0 0 310.422 4.478 50 0 DIAARN Cc1nnc([C@@H]2CCCN2Cc2ccc(-c3ccccc3)s2)[nH]1 ZINC000102540438 563559614 /nfs/dbraw/zinc/55/96/14/563559614.db2.gz GQDONDDIXDNOPQ-INIZCTEOSA-N 0 0 324.453 4.179 50 0 DIAARN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000014202161 563561140 /nfs/dbraw/zinc/56/11/40/563561140.db2.gz HZMCZBUMBRUOEH-GFCCVEGCSA-N 0 0 323.314 4.385 50 0 DIAARN O=C(/C=C/c1ccc(SC(F)(F)F)cc1)Nc1cccnc1 ZINC000014213392 563561714 /nfs/dbraw/zinc/56/17/14/563561714.db2.gz MOCMMNXJODUHIS-VMPITWQZSA-N 0 0 324.327 4.345 50 0 DIAARN Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(C)C)[nH]n2)cc1 ZINC000072309642 563565611 /nfs/dbraw/zinc/56/56/11/563565611.db2.gz IVRLXAHETZPXJN-CYBMUJFWSA-N 0 0 300.406 4.066 50 0 DIAARN C[C@H]1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000000258017 563583095 /nfs/dbraw/zinc/58/30/95/563583095.db2.gz LQRPPJHEKAZORL-VIFPVBQESA-N 0 0 303.258 4.422 50 0 DIAARN CCOC(=O)[C@@H]1C(=C(C)C)[C@]1(C)C(=O)c1ccc(Cl)cc1 ZINC000000108562 563570424 /nfs/dbraw/zinc/57/04/24/563570424.db2.gz ONNCEAVOIAMVSY-YOEHRIQHSA-N 0 0 306.789 4.058 50 0 DIAARN Cc1cc2c(c(SCc3ccccc3Cl)n1)C(=O)OC2 ZINC000000111517 563570803 /nfs/dbraw/zinc/57/08/03/563570803.db2.gz PXZBFCYGTHGHNE-UHFFFAOYSA-N 0 0 305.786 4.006 50 0 DIAARN CN(C)C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000000119252 563570895 /nfs/dbraw/zinc/57/08/95/563570895.db2.gz SAGAIRJKEOBSIA-UHFFFAOYSA-N 0 0 322.380 4.447 50 0 DIAARN Cc1cccc(N2COc3ccc(Br)cc3C2)c1 ZINC000000111228 563570959 /nfs/dbraw/zinc/57/09/59/563570959.db2.gz AGCMFOZEJKIMKE-UHFFFAOYSA-N 0 0 304.187 4.114 50 0 DIAARN Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000112187 563571028 /nfs/dbraw/zinc/57/10/28/563571028.db2.gz CAZXAIFPDODYLZ-UHFFFAOYSA-N 0 0 315.170 4.475 50 0 DIAARN Clc1ccc(C2=NN3COc4ccc(Cl)cc4[C@@H]3C2)cc1 ZINC000000115050 563571038 /nfs/dbraw/zinc/57/10/38/563571038.db2.gz VGNLCBVUMAPPLY-HNNXBMFYSA-N 0 0 319.191 4.494 50 0 DIAARN Cc1cc(NCc2ccc3c(c2)OCO3)ccc1Br ZINC000000122079 563571539 /nfs/dbraw/zinc/57/15/39/563571539.db2.gz JMCQMZXBTAQHAD-UHFFFAOYSA-N 0 0 320.186 4.098 50 0 DIAARN C[C@H]1CCc2c(sc3ncnc(Nc4cccc(O)c4)c23)C1 ZINC000000132527 563572008 /nfs/dbraw/zinc/57/20/08/563572008.db2.gz GNZBQYUMCADFIK-JTQLQIEISA-N 0 0 311.410 4.265 50 0 DIAARN COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1 ZINC000000137330 563572720 /nfs/dbraw/zinc/57/27/20/563572720.db2.gz YEBZZBFCHJNCKE-UHFFFAOYSA-N 0 0 314.410 4.449 50 0 DIAARN CCOC(=O)c1nc2ccccc2c(Nc2ccccc2CC)n1 ZINC000000145887 563573230 /nfs/dbraw/zinc/57/32/30/563573230.db2.gz POELJDNKRGMHKU-UHFFFAOYSA-N 0 0 321.380 4.113 50 0 DIAARN O=C(NCc1cccnc1)N(c1ccccc1)c1ccccc1 ZINC000000152070 563573995 /nfs/dbraw/zinc/57/39/95/563573995.db2.gz HQFANCNVYINCHX-UHFFFAOYSA-N 0 0 303.365 4.130 50 0 DIAARN CCc1ccc(Nc2ncc(C(=O)OC)c3ccccc32)cc1 ZINC000000176024 563575165 /nfs/dbraw/zinc/57/51/65/563575165.db2.gz ZEIBWCREBFWIPR-UHFFFAOYSA-N 0 0 306.365 4.327 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000000178364 563575279 /nfs/dbraw/zinc/57/52/79/563575279.db2.gz UALPZQPQEPEJKN-UHFFFAOYSA-N 0 0 320.348 4.093 50 0 DIAARN S=C(Nc1ccccc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000000177936 563575282 /nfs/dbraw/zinc/57/52/82/563575282.db2.gz IEVQFTOFSIJMIL-GOSISDBHSA-N 0 0 310.466 4.481 50 0 DIAARN S=C(c1cccc(OCc2ccccc2)c1)N1CCCCC1 ZINC000000193212 563577223 /nfs/dbraw/zinc/57/72/23/563577223.db2.gz QSLVIOOZSJQHCU-UHFFFAOYSA-N 0 0 311.450 4.427 50 0 DIAARN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2C)n1 ZINC000000198452 563577407 /nfs/dbraw/zinc/57/74/07/563577407.db2.gz ZWNMXZFAAADBGF-UHFFFAOYSA-N 0 0 306.365 4.024 50 0 DIAARN O=c1oc2ccc(Br)cc2cc1-c1ccccc1 ZINC000000199121 563577411 /nfs/dbraw/zinc/57/74/11/563577411.db2.gz DDDRDLGIASLNEU-UHFFFAOYSA-N 0 0 301.139 4.223 50 0 DIAARN CCc1ccc(N2COc3ccc(Br)cc3C2)cc1 ZINC000000205634 563578008 /nfs/dbraw/zinc/57/80/08/563578008.db2.gz FJEUYXGHZLZKHC-UHFFFAOYSA-N 0 0 318.214 4.368 50 0 DIAARN Cc1cccn2cc(-c3cccc(NC(=O)CC(C)C)c3)nc12 ZINC000000203140 563578032 /nfs/dbraw/zinc/57/80/32/563578032.db2.gz BRUWTAQFCVSVJO-UHFFFAOYSA-N 0 0 307.397 4.294 50 0 DIAARN CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1 ZINC000000204087 563578055 /nfs/dbraw/zinc/57/80/55/563578055.db2.gz CNZRMWDMRMJYHB-UHFFFAOYSA-N 0 0 315.760 4.099 50 0 DIAARN Cc1ccc(-c2cc3nc4c(c(C(F)(F)F)n3n2)CCC4)cc1 ZINC000000204981 563578103 /nfs/dbraw/zinc/57/81/03/563578103.db2.gz OUWNRWNKFICTLK-UHFFFAOYSA-N 0 0 317.314 4.212 50 0 DIAARN CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccco1 ZINC000000203645 563578148 /nfs/dbraw/zinc/57/81/48/563578148.db2.gz NMWFEZXGUYUYGA-IBGZPJMESA-N 0 0 301.349 4.293 50 0 DIAARN CCN(C(=O)c1coc(=O)c2ccccc12)c1ccc(C)c(C)c1 ZINC000000211732 563578679 /nfs/dbraw/zinc/57/86/79/563578679.db2.gz DSLZBIQWLPMXCZ-UHFFFAOYSA-N 0 0 321.376 4.077 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 ZINC000000222300 563579180 /nfs/dbraw/zinc/57/91/80/563579180.db2.gz VUGCORCDDCWGHS-IRXDYDNUSA-N 0 0 324.815 4.386 50 0 DIAARN Clc1ccc(-c2nc3ncccn3c2NC2CCCC2)cc1 ZINC000000218146 563579288 /nfs/dbraw/zinc/57/92/88/563579288.db2.gz RJVRTFSSPVYHKY-UHFFFAOYSA-N 0 0 312.804 4.404 50 0 DIAARN CC(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000000217697 563579394 /nfs/dbraw/zinc/57/93/94/563579394.db2.gz PFOBQBHXRBYWGG-UHFFFAOYSA-N 0 0 319.408 4.073 50 0 biogenic DIAARN CC(=O)Oc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000225052 563579573 /nfs/dbraw/zinc/57/95/73/563579573.db2.gz DFFGBIXFAKFVOC-UHFFFAOYSA-N 0 0 324.163 4.171 50 0 DIAARN Cc1nc(NC(=O)COc2ccc(C(C)C)c(C)c2)sc1C ZINC000028228202 563579820 /nfs/dbraw/zinc/57/98/20/563579820.db2.gz DUXUJGRFOQVWFQ-UHFFFAOYSA-N 0 0 318.442 4.209 50 0 DIAARN COCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000000117446 563580068 /nfs/dbraw/zinc/58/00/68/563580068.db2.gz OEBYJRYOUJILAI-UHFFFAOYSA-N 0 0 304.752 4.024 50 0 DIAARN CN(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000000246296 563581608 /nfs/dbraw/zinc/58/16/08/563581608.db2.gz GSQULEZIJYHOMD-HXUWFJFHSA-N 0 0 322.452 4.313 50 0 DIAARN FC(F)(F)c1nc2ccccc2n1CCOc1ccccc1 ZINC000000258503 563582926 /nfs/dbraw/zinc/58/29/26/563582926.db2.gz NWIMGLWXRRDMGH-UHFFFAOYSA-N 0 0 306.287 4.134 50 0 DIAARN CC(C)N(C(=S)Nc1ccccc1F)[C@H](C)c1ccccn1 ZINC000000261994 563582984 /nfs/dbraw/zinc/58/29/84/563582984.db2.gz BIVGNPSDBQKFDC-CYBMUJFWSA-N 0 0 317.433 4.389 50 0 DIAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 ZINC000000282049 563584605 /nfs/dbraw/zinc/58/46/05/563584605.db2.gz BKXKLYYNVPWYHJ-JTQLQIEISA-N 0 0 316.228 4.210 50 0 DIAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 ZINC000000281553 563584803 /nfs/dbraw/zinc/58/48/03/563584803.db2.gz IWNIDQWZTZXIBU-ZDUSSCGKSA-N 0 0 319.857 4.180 50 0 DIAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1 ZINC000000305544 563586714 /nfs/dbraw/zinc/58/67/14/563586714.db2.gz BWHKVVMRWKIEPV-UHFFFAOYSA-N 0 0 311.772 4.086 50 0 DIAARN Cc1nnc2c(Oc3ccc(Cl)cc3)nc3ccccc3n12 ZINC000000308276 563587244 /nfs/dbraw/zinc/58/72/44/563587244.db2.gz CFTXABKKICVCEC-UHFFFAOYSA-N 0 0 310.744 4.032 50 0 DIAARN COc1c(C(=O)Nc2ccc(C(C)=O)cc2)ccc2ccccc21 ZINC000000341893 563589719 /nfs/dbraw/zinc/58/97/19/563589719.db2.gz BGXZMZODVBUPRF-UHFFFAOYSA-N 0 0 319.360 4.303 50 0 DIAARN C[C@H](c1cccc2ccccc21)N(C(=O)Cc1ccon1)C1CC1 ZINC000073055008 563590044 /nfs/dbraw/zinc/59/00/44/563590044.db2.gz TWYHEHMPAMDPQA-CQSZACIVSA-N 0 0 320.392 4.123 50 0 DIAARN Cc1cc(C)c(C(N)=O)c(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000000351885 563590215 /nfs/dbraw/zinc/59/02/15/563590215.db2.gz PGCZYHFUECRWIE-UHFFFAOYSA-N 0 0 317.392 4.208 50 0 DIAARN CCc1ccc(C(=O)Nc2nnc(CC(C)(C)C)s2)s1 ZINC000000372181 563591388 /nfs/dbraw/zinc/59/13/88/563591388.db2.gz KHHHSSZNNJASLC-UHFFFAOYSA-N 0 0 309.460 4.003 50 0 DIAARN CC(C)CN(Cc1cc(-c2cccs2)on1)C(=O)C(C)C ZINC000036012047 563591810 /nfs/dbraw/zinc/59/18/10/563591810.db2.gz CXZARHAFEFCXHL-UHFFFAOYSA-N 0 0 306.431 4.044 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000004902348 563592783 /nfs/dbraw/zinc/59/27/83/563592783.db2.gz JWQYVGAOTAIPQI-UHFFFAOYSA-N 0 0 300.427 4.299 50 0 DIAARN O=C1C(=CNc2ccc(F)cc2)CCN1c1ccc(Cl)cc1 ZINC000100417113 563593094 /nfs/dbraw/zinc/59/30/94/563593094.db2.gz WOGUHSICVOPWHB-QXMHVHEDSA-N 0 0 316.763 4.212 50 0 DIAARN Cc1ccc(-n2c(=O)c3oc4ccccc4c3[nH]c2=S)cc1 ZINC000100530342 563595018 /nfs/dbraw/zinc/59/50/18/563595018.db2.gz LCFRXYNGFSBFGV-UHFFFAOYSA-N 0 0 308.362 4.103 50 0 DIAARN O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000046541571 563595653 /nfs/dbraw/zinc/59/56/53/563595653.db2.gz VHNFGEUFQSBWFU-UHFFFAOYSA-N 0 0 319.191 4.405 50 0 DIAARN Cc1ccc(-c2csc3c2ncn(CCC(C)C)c3=O)cc1 ZINC000038487458 563598613 /nfs/dbraw/zinc/59/86/13/563598613.db2.gz IVNLAQWSLMEPQV-UHFFFAOYSA-N 0 0 312.438 4.480 50 0 DIAARN Cc1[nH]c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2c1C ZINC000011749551 563598840 /nfs/dbraw/zinc/59/88/40/563598840.db2.gz JQCRWORRJLYYEU-UHFFFAOYSA-N 0 0 318.420 4.246 50 0 DIAARN COC(=O)c1cc(Nc2ccc(C)cc2)c2cccc(OC)c2n1 ZINC000038486743 563598886 /nfs/dbraw/zinc/59/88/86/563598886.db2.gz GMWLZWHMRGKURX-UHFFFAOYSA-N 0 0 322.364 4.082 50 0 DIAARN O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccccc1 ZINC000000089239 563599642 /nfs/dbraw/zinc/59/96/42/563599642.db2.gz OMENOLZPZUXUMH-UHFFFAOYSA-N 0 0 312.372 4.112 50 0 DIAARN c1[nH]nc2ncnc(NC3CCCCCCCCCCC3)c12 ZINC000011856476 563599888 /nfs/dbraw/zinc/59/98/88/563599888.db2.gz VUNLQSGVPCXFHK-UHFFFAOYSA-N 0 0 301.438 4.438 50 0 DIAARN CC(C)(C)C(=O)Oc1ccc2c(Cc3ccccc3)noc2c1 ZINC000011854104 563599993 /nfs/dbraw/zinc/59/99/93/563599993.db2.gz KGXRUPNJBZRKLT-UHFFFAOYSA-N 0 0 309.365 4.370 50 0 DIAARN CC1(C)CCc2c(c(Cl)cc3c4c(c(=O)oc32)CCCC4)O1 ZINC000011867367 563600704 /nfs/dbraw/zinc/60/07/04/563600704.db2.gz PBNPYAUTNXUBTA-UHFFFAOYSA-N 0 0 318.800 4.429 50 0 DIAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2ccncc2)cc1C ZINC000248119778 563600788 /nfs/dbraw/zinc/60/07/88/563600788.db2.gz XCJJLNQNSBDVRO-UFYCRDLUSA-N 0 0 320.436 4.166 50 0 DIAARN O=c1[nH]c(SCc2cccc3ccccc32)nc2c1CCCC2 ZINC000011903571 563601132 /nfs/dbraw/zinc/60/11/32/563601132.db2.gz ZBNPVXGNGFGIMI-UHFFFAOYSA-N 0 0 322.433 4.094 50 0 DIAARN Cc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 ZINC000011914635 563601672 /nfs/dbraw/zinc/60/16/72/563601672.db2.gz DUQNIAMUQOJCFI-UHFFFAOYSA-N 0 0 308.406 4.299 50 0 DIAARN O=C(Oc1ccccc1F)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011914863 563601831 /nfs/dbraw/zinc/60/18/31/563601831.db2.gz YLMDEHYKBWWFGV-UHFFFAOYSA-N 0 0 317.703 4.353 50 0 DIAARN Cc1cccc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)c1C ZINC000125498704 563602867 /nfs/dbraw/zinc/60/28/67/563602867.db2.gz OLPKMIVPYQAKTQ-KRWDZBQOSA-N 0 0 324.424 4.148 50 0 DIAARN CCn1cc([C@@H](C)N[C@H](C)c2ccccc2Br)cn1 ZINC000044496381 563602984 /nfs/dbraw/zinc/60/29/84/563602984.db2.gz KYMVBAXMWPUNGB-VXGBXAGGSA-N 0 0 322.250 4.077 50 0 DIAARN COc1cc(F)cc(NCc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000128617277 563605300 /nfs/dbraw/zinc/60/53/00/563605300.db2.gz NEGVBTLJTWFPAS-UHFFFAOYSA-N 0 0 312.344 4.410 50 0 DIAARN C[S@](=O)Cc1ccccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249177604 563609667 /nfs/dbraw/zinc/60/96/67/563609667.db2.gz GFZIKJSHUNTRHU-BHVCSQLQSA-N 0 0 319.392 4.098 50 0 DIAARN CCc1nc2ccccc2c(C(=O)Nc2ccccc2OC)c1C ZINC000000411352 563611366 /nfs/dbraw/zinc/61/13/66/563611366.db2.gz HPJQJIDXMXWWRL-UHFFFAOYSA-N 0 0 320.392 4.367 50 0 DIAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000000423867 563611974 /nfs/dbraw/zinc/61/19/74/563611974.db2.gz NTVNSACMJNRKJG-INIZCTEOSA-N 0 0 323.339 4.191 50 0 DIAARN Cc1ccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=S)cc1 ZINC000000424443 563612212 /nfs/dbraw/zinc/61/22/12/563612212.db2.gz OULXVILIEIDJDH-UHFFFAOYSA-N 0 0 310.378 4.239 50 0 DIAARN Cc1ccc2cc3cc(C(=O)N4CCCCC4)sc3nc2c1 ZINC000000428327 563612840 /nfs/dbraw/zinc/61/28/40/563612840.db2.gz ZUEDYNHMVPRSGO-UHFFFAOYSA-N 0 0 310.422 4.384 50 0 DIAARN CC(C)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425714 563613319 /nfs/dbraw/zinc/61/33/19/563613319.db2.gz HGRVUAVSKLBNIF-UHFFFAOYSA-N 0 0 313.184 4.034 50 0 DIAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2)c1 ZINC000000429427 563613343 /nfs/dbraw/zinc/61/33/43/563613343.db2.gz IAZOPXSNPTZWGY-UHFFFAOYSA-N 0 0 324.449 4.049 50 0 DIAARN COc1ccccc1C1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)O1 ZINC000000430631 563613887 /nfs/dbraw/zinc/61/38/87/563613887.db2.gz OVBHGKDUNPZKDV-ATVHPVEESA-N 0 0 321.376 4.163 50 0 DIAARN CC(/C=C1/N=C(c2ccccc2F)OC1=O)=C/c1ccccc1 ZINC000000430199 563613900 /nfs/dbraw/zinc/61/39/00/563613900.db2.gz PGUTUJYQQOOAPO-RTNVFWHRSA-N 0 0 307.324 4.117 50 0 DIAARN O=C1CS[C@@H](c2ccccn2)N1c1ccc2ccccc2c1 ZINC000000431388 563614430 /nfs/dbraw/zinc/61/44/30/563614430.db2.gz BHVLGSQNBUMUAS-SFHVURJKSA-N 0 0 306.390 4.013 50 0 DIAARN CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(Nc2cccc(C)c2)NC1=O ZINC000033883009 563615842 /nfs/dbraw/zinc/61/58/42/563615842.db2.gz VRBPOQSZKMYRMX-CYBMUJFWSA-N 0 0 315.417 4.092 50 0 DIAARN O=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1 ZINC000000266519 563616013 /nfs/dbraw/zinc/61/60/13/563616013.db2.gz FAPGLCHVGWEYQH-UHFFFAOYSA-N 0 0 300.408 4.053 50 0 DIAARN Cc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1Cl ZINC000000587001 563618673 /nfs/dbraw/zinc/61/86/73/563618673.db2.gz HWMZMYKAQXNSFW-UHFFFAOYSA-N 0 0 313.740 4.007 50 0 DIAARN CCc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 ZINC000002471909 563619723 /nfs/dbraw/zinc/61/97/23/563619723.db2.gz CMAKZDVEFRFCEA-RBUKOAKNSA-N 0 0 318.424 4.295 50 0 DIAARN Cc1ccc2c(CN3c4ccccc4C[C@H]3C)cc(=O)oc2c1 ZINC000003390160 563622882 /nfs/dbraw/zinc/62/28/82/563622882.db2.gz LHMOHDCOJBKIFK-CQSZACIVSA-N 0 0 305.377 4.053 50 0 DIAARN CC1CCN(c2ncnc3c2[nH]c2cccc(Cl)c23)CC1 ZINC000005532734 563623470 /nfs/dbraw/zinc/62/34/70/563623470.db2.gz AHMNQXHNANVBHG-UHFFFAOYSA-N 0 0 300.793 4.001 50 0 DIAARN Cc1ccc(C)c(S(=O)(=O)Oc2cccc3ccccc32)c1 ZINC000005555441 563623594 /nfs/dbraw/zinc/62/35/94/563623594.db2.gz ZQTCZQGMBCUYIV-UHFFFAOYSA-N 0 0 312.390 4.224 50 0 DIAARN CC(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000008734924 563625599 /nfs/dbraw/zinc/62/55/99/563625599.db2.gz WBXGWOSWMZIJMS-GFCCVEGCSA-N 0 0 304.440 4.143 50 0 DIAARN Fc1cc(F)c(F)c(/C=C2/COC(c3ccccc3)=N2)c1F ZINC000017252418 563627035 /nfs/dbraw/zinc/62/70/35/563627035.db2.gz UEXVHOOOQDTOAF-POHAHGRESA-N 0 0 307.246 4.061 50 0 DIAARN Cc1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000000130355 563627649 /nfs/dbraw/zinc/62/76/49/563627649.db2.gz PPJKVPFBTIAWCW-UHFFFAOYSA-N 0 0 310.180 4.319 50 0 DIAARN CC(C)c1nc2cc(NC(=O)[C@H](C(C)C)n3cccc3)ccc2[nH]1 ZINC000409413272 563628059 /nfs/dbraw/zinc/62/80/59/563628059.db2.gz GXRBQMFTSCRVGV-KRWDZBQOSA-N 0 0 324.428 4.324 50 0 DIAARN Nc1ccccc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000000138008 563628459 /nfs/dbraw/zinc/62/84/59/563628459.db2.gz WMESLCACTLPGTE-UHFFFAOYSA-N 0 0 317.801 4.265 50 0 DIAARN COc1cccc(CNc2ccc(Br)cc2)c1OC ZINC000000263306 563629192 /nfs/dbraw/zinc/62/91/92/563629192.db2.gz SFLHEDGTQWMZHK-UHFFFAOYSA-N 0 0 322.202 4.078 50 0 DIAARN COc1ccc(CC[C@@H](C)Nc2ccc(OC)cc2OC)cc1 ZINC000000280398 563629346 /nfs/dbraw/zinc/62/93/46/563629346.db2.gz ZWSFTMCOCQQTGA-CQSZACIVSA-N 0 0 315.413 4.146 50 0 DIAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000000505742 563629847 /nfs/dbraw/zinc/62/98/47/563629847.db2.gz FHVGZBBUZSGCMU-CYBMUJFWSA-N 0 0 301.361 4.357 50 0 DIAARN Cc1ccc(NS(=O)(=O)c2cccc3ccccc32)c(C)c1 ZINC000000572785 563631123 /nfs/dbraw/zinc/63/11/23/563631123.db2.gz LDRAVVOTLZSHGQ-UHFFFAOYSA-N 0 0 311.406 4.257 50 0 DIAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1 ZINC000000578624 563631249 /nfs/dbraw/zinc/63/12/49/563631249.db2.gz RIROOOUOYJLHEU-UHFFFAOYSA-N 0 0 315.328 4.199 50 0 DIAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000611833 563631850 /nfs/dbraw/zinc/63/18/50/563631850.db2.gz LTBZEMNQQBPYNF-UHFFFAOYSA-N 0 0 318.760 4.195 50 0 DIAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000001886269 563634561 /nfs/dbraw/zinc/63/45/61/563634561.db2.gz ORFVAYOZFOFWCP-UHFFFAOYSA-N 0 0 315.344 4.035 50 0 DIAARN CC(=O)c1cccc(NC(=O)Nc2cccc3c(O)cccc23)c1 ZINC000003086078 563635518 /nfs/dbraw/zinc/63/55/18/563635518.db2.gz MUQCYSDQNULGAN-UHFFFAOYSA-N 0 0 320.348 4.392 50 0 DIAARN O=C(Nc1cc(Br)ccc1F)OCc1ccccc1 ZINC000165803138 563639770 /nfs/dbraw/zinc/63/97/70/563639770.db2.gz WKONXKBWUKZPFS-UHFFFAOYSA-N 0 0 324.149 4.337 50 0 DIAARN O=C(CCC1CCCC1)Nc1ccc(Br)cc1F ZINC000000484223 563645261 /nfs/dbraw/zinc/64/52/61/563645261.db2.gz AXZRPEVXLOCJCM-UHFFFAOYSA-N 0 0 314.198 4.497 50 0 DIAARN COc1ccc(Cc2nc(C)cc3cc(OC)c(OC)cc32)cc1 ZINC000000484938 563645404 /nfs/dbraw/zinc/64/54/04/563645404.db2.gz SJXVPLRGVDUEJY-UHFFFAOYSA-N 0 0 323.392 4.160 50 0 biogenic DIAARN CSc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 ZINC000011422554 563650218 /nfs/dbraw/zinc/65/02/18/563650218.db2.gz UIDWSBMKKWKXMJ-UHFFFAOYSA-N 0 0 304.440 4.271 50 0 DIAARN CCOc1ccc(C(=O)Nc2cccc3ccc(C)nc32)cc1 ZINC000009190349 563650271 /nfs/dbraw/zinc/65/02/71/563650271.db2.gz ABHSTJRFIMIPSW-UHFFFAOYSA-N 0 0 306.365 4.194 50 0 DIAARN CC(C)CN1C(=O)N(c2ccc(Cl)cc2)[C@@](C)(O)CC1(C)C ZINC000000494748 563650901 /nfs/dbraw/zinc/65/09/01/563650901.db2.gz CKUIPRQKFQVWNC-KRWDZBQOSA-N 0 0 324.852 4.115 50 0 DIAARN Cc1cc(C)cc(NC(=O)NCc2cccc(N3CC=CC3)c2)c1 ZINC000101392333 563655779 /nfs/dbraw/zinc/65/57/79/563655779.db2.gz VOFGMAWSNBUSBG-UHFFFAOYSA-N 0 0 321.424 4.001 50 0 DIAARN CC(C)Cn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N ZINC000101486776 563656034 /nfs/dbraw/zinc/65/60/34/563656034.db2.gz CCOAEPYFPTZVDX-UHFFFAOYSA-N 0 0 323.352 4.285 50 0 DIAARN O=C1[C@H]2CCCC2=Nc2ccccc2N1Cc1ccc(F)cc1 ZINC000101946707 563657696 /nfs/dbraw/zinc/65/76/96/563657696.db2.gz GIDPJZAAUXJREQ-HNNXBMFYSA-N 0 0 308.356 4.245 50 0 DIAARN COc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000000508044 563657766 /nfs/dbraw/zinc/65/77/66/563657766.db2.gz JJAAVNMJZMPAGC-UHFFFAOYSA-N 0 0 313.426 4.250 50 0 DIAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000102230272 563658940 /nfs/dbraw/zinc/65/89/40/563658940.db2.gz UXZQLGOSGFIEAS-KRWDZBQOSA-N 0 0 322.799 4.296 50 0 DIAARN O=C1c2ccccc2[C@H]2C3=C(CCCC3=O)Nc3ccccc3N12 ZINC000102710465 563661084 /nfs/dbraw/zinc/66/10/84/563661084.db2.gz NLTDDVRALMUCGE-IBGZPJMESA-N 0 0 316.360 4.470 50 0 DIAARN CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000000516371 563661508 /nfs/dbraw/zinc/66/15/08/563661508.db2.gz BMNMYXAYJAUVSC-UHFFFAOYSA-N 0 0 313.397 4.226 50 0 DIAARN Cc1csc(C2=C(N)N(c3ccccc3C(C)C)CC2=O)n1 ZINC000102748526 563661937 /nfs/dbraw/zinc/66/19/37/563661937.db2.gz KFFUJHDPBWSTEP-UHFFFAOYSA-N 0 0 313.426 4.341 50 0 DIAARN CCCN(Cc1ccccc1)C(=S)Nc1ccc(F)cc1 ZINC000013636135 563662449 /nfs/dbraw/zinc/66/24/49/563662449.db2.gz HEGFYORJGIMDIA-UHFFFAOYSA-N 0 0 302.418 4.435 50 0 DIAARN COc1ccc([C@@H](CC(=O)NCc2ccccc2)C(C)C)cc1 ZINC000000525153 563664566 /nfs/dbraw/zinc/66/45/66/563664566.db2.gz CUZKQJAOAGLRHM-IBGZPJMESA-N 0 0 311.425 4.141 50 0 DIAARN COC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C(C)C ZINC000000522611 563664616 /nfs/dbraw/zinc/66/46/16/563664616.db2.gz IIAQWDXSUZIFRG-UHFFFAOYSA-N 0 0 317.410 4.105 50 0 DIAARN Cc1ccc(-c2nnc3sc(-c4cccc(C)c4)nn32)cc1 ZINC000000532102 563665685 /nfs/dbraw/zinc/66/56/85/563665685.db2.gz BECLWMUHBHFLHT-UHFFFAOYSA-N 0 0 306.394 4.137 50 0 DIAARN Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1 ZINC000000531920 563666360 /nfs/dbraw/zinc/66/63/60/563666360.db2.gz TUUXKVQSJDVIOR-JKSUJKDBSA-N 0 0 310.788 4.078 50 0 DIAARN C[C@@H]1C[C@@H](C)CN(c2ncnc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000000536051 563667226 /nfs/dbraw/zinc/66/72/26/563667226.db2.gz WJRUYSMPAWJXJF-GHMZBOCLSA-N 0 0 314.820 4.247 50 0 DIAARN Clc1ccccc1CNc1ncnc2c3ccccc3[nH]c21 ZINC000000538764 563667792 /nfs/dbraw/zinc/66/77/92/563667792.db2.gz FDFOOTFIGKKUFJ-UHFFFAOYSA-N 0 0 308.772 4.377 50 0 DIAARN CCOc1ccc2c(c1)CN(c1ccc(C)c(Cl)c1)CO2 ZINC000000546743 563669521 /nfs/dbraw/zinc/66/95/21/563669521.db2.gz PRYYKLXEEDAHBL-UHFFFAOYSA-N 0 0 303.789 4.404 50 0 DIAARN CCC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 ZINC000000560738 563670751 /nfs/dbraw/zinc/67/07/51/563670751.db2.gz DASGIBBYBGRATN-UHFFFAOYSA-N 0 0 324.355 4.012 50 0 DIAARN COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000000563850 563670809 /nfs/dbraw/zinc/67/08/09/563670809.db2.gz RIDSDGAMWDUYOC-UHFFFAOYSA-N 0 0 313.397 4.388 50 0 DIAARN COc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000000563733 563670966 /nfs/dbraw/zinc/67/09/66/563670966.db2.gz SHZGGSXBNACUHS-NYYWCZLTSA-N 0 0 321.298 4.366 50 0 DIAARN CC1CCN(c2ccccc2NC(=O)c2ccccc2F)CC1 ZINC000000558448 563670980 /nfs/dbraw/zinc/67/09/80/563670980.db2.gz IITSSFGWLXEESP-UHFFFAOYSA-N 0 0 312.388 4.314 50 0 DIAARN C[C@@H](NC(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000014424906 563671353 /nfs/dbraw/zinc/67/13/53/563671353.db2.gz XEJBLPQMGQXKBT-SECBINFHSA-N 0 0 314.237 4.475 50 0 DIAARN c1ccc([C@H](Nc2nc3ccccc3o2)c2ccccn2)cc1 ZINC000051281831 563671370 /nfs/dbraw/zinc/67/13/70/563671370.db2.gz AAZDQWDFOHJPTG-SFHVURJKSA-N 0 0 301.349 4.424 50 0 DIAARN CC(C)(C)c1csc(NC(=O)Cc2c[nH]c3ccccc23)n1 ZINC000014793873 563672389 /nfs/dbraw/zinc/67/23/89/563672389.db2.gz IODHWUNRKJZOHA-UHFFFAOYSA-N 0 0 313.426 4.103 50 0 DIAARN CC(C)Oc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000046729852 563673120 /nfs/dbraw/zinc/67/31/20/563673120.db2.gz WGXGCJMERPVWPM-UHFFFAOYSA-N 0 0 321.779 4.196 50 0 DIAARN CC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000574171 563674044 /nfs/dbraw/zinc/67/40/44/563674044.db2.gz OZJQHWJWZWZWLL-UHFFFAOYSA-N 0 0 308.406 4.425 50 0 DIAARN Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000000573058 563674068 /nfs/dbraw/zinc/67/40/68/563674068.db2.gz QINPUUZLAYBFHX-UHFFFAOYSA-N 0 0 316.360 4.013 50 0 DIAARN O=C(CSc1ccccc1)Nc1nc2ccccc2s1 ZINC000000574069 563674162 /nfs/dbraw/zinc/67/41/62/563674162.db2.gz FKJKXJFDLCILPH-UHFFFAOYSA-N 0 0 300.408 4.027 50 0 DIAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(-c2cnco2)cc1 ZINC000047411416 563680481 /nfs/dbraw/zinc/68/04/81/563680481.db2.gz CPJHOEDIJFAAKM-UHFFFAOYSA-N 0 0 304.349 4.083 50 0 DIAARN O=C(NCCCc1ccccc1)C1(c2cccs2)CCCC1 ZINC000012157572 563680947 /nfs/dbraw/zinc/68/09/47/563680947.db2.gz MGYCRNDEIJAHAR-UHFFFAOYSA-N 0 0 313.466 4.309 50 0 DIAARN CCn1c2ccc(Cl)cc2s/c1=N/C(=O)c1ccccc1 ZINC000012180822 563681091 /nfs/dbraw/zinc/68/10/91/563681091.db2.gz CVWIMAXCOFYQNJ-FBMGVBCBSA-N 0 0 316.813 4.117 50 0 DIAARN O=C(Nc1ccc(F)c(F)c1)C1(c2cccs2)CCCC1 ZINC000012157676 563681139 /nfs/dbraw/zinc/68/11/39/563681139.db2.gz BTKUEMJHRPUIIO-UHFFFAOYSA-N 0 0 307.365 4.477 50 0 DIAARN O=C(c1ccc2c3c(cccc31)CC2)N1CCc2sccc2C1 ZINC000012216883 563681738 /nfs/dbraw/zinc/68/17/38/563681738.db2.gz FWLDSMDFDRVDNH-UHFFFAOYSA-N 0 0 319.429 4.198 50 0 DIAARN Cc1nc(S[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)oc1C ZINC000047559647 563681807 /nfs/dbraw/zinc/68/18/07/563681807.db2.gz DQRDZYSCMZZZDQ-CQDKDKBSSA-N 0 0 324.490 4.103 50 0 DIAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n[nH]2)cc1 ZINC000044837776 563684735 /nfs/dbraw/zinc/68/47/35/563684735.db2.gz CVFWDUMZORAQON-UHFFFAOYSA-N 0 0 309.344 4.085 50 0 DIAARN O=C(Nc1ccccc1O)c1ccc(C2SCCS2)cc1 ZINC000044891929 563686229 /nfs/dbraw/zinc/68/62/29/563686229.db2.gz MQDMKNIKDBONTK-UHFFFAOYSA-N 0 0 317.435 4.123 50 0 DIAARN Cc1ccc2c(c1)c1c(n2CCc2ccc(F)cc2)CCN(C)C1 ZINC000045351330 563688607 /nfs/dbraw/zinc/68/86/07/563688607.db2.gz ITLPFSDCSSQVPC-UHFFFAOYSA-N 0 0 322.427 4.319 50 0 DIAARN CCN(Cc1ccco1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000045380845 563689446 /nfs/dbraw/zinc/68/94/46/563689446.db2.gz YOWUHUMBHAMWOM-UHFFFAOYSA-N 0 0 302.761 4.077 50 0 DIAARN CC[C@H](C(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000045560360 563689452 /nfs/dbraw/zinc/68/94/52/563689452.db2.gz UGKMCCXXMCLKQA-SFHVURJKSA-N 0 0 317.392 4.276 50 0 DIAARN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018063 563691739 /nfs/dbraw/zinc/69/17/39/563691739.db2.gz DVLVDVXYOLPIDI-KRWDZBQOSA-N 0 0 317.791 4.385 50 0 DIAARN COCCn1c(C)c(C)nc1SCc1ccc(Cl)s1 ZINC000046028884 563692072 /nfs/dbraw/zinc/69/20/72/563692072.db2.gz MQPCHUKYPOVFKM-UHFFFAOYSA-N 0 0 316.879 4.154 50 0 DIAARN C[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 ZINC000047906754 563692358 /nfs/dbraw/zinc/69/23/58/563692358.db2.gz PUKHSQYBHHTOKI-LBPRGKRZSA-N 0 0 320.339 4.213 50 0 DIAARN COc1ccc(Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000048234135 563693346 /nfs/dbraw/zinc/69/33/46/563693346.db2.gz WKLBGZIZYHNWIK-UHFFFAOYSA-N 0 0 324.424 4.455 50 0 DIAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2cnco2)c1 ZINC000048205435 563693458 /nfs/dbraw/zinc/69/34/58/563693458.db2.gz PCKBCCOIDBPLFW-UHFFFAOYSA-N 0 0 317.348 4.004 50 0 DIAARN CCc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 ZINC000048202479 563693577 /nfs/dbraw/zinc/69/35/77/563693577.db2.gz NGSXVZNLMDWQTO-UHFFFAOYSA-N 0 0 319.364 4.084 50 0 DIAARN O=C(CCSc1ccccc1)Nc1ccccc1OC(F)F ZINC000048264371 563694023 /nfs/dbraw/zinc/69/40/23/563694023.db2.gz GKEAGKCLDCZNJO-UHFFFAOYSA-N 0 0 323.364 4.409 50 0 DIAARN Cc1noc([C@@H](C)Sc2nc(C3CC3)nc3ccccc32)n1 ZINC000048272056 563694692 /nfs/dbraw/zinc/69/46/92/563694692.db2.gz JEXYFIILSXKFJE-SECBINFHSA-N 0 0 312.398 4.052 50 0 DIAARN CCCc1nc(CSc2nnc(-c3ccco3)o2)cs1 ZINC000048325943 563696461 /nfs/dbraw/zinc/69/64/61/563696461.db2.gz KBYNYPATYUSYBA-UHFFFAOYSA-N 0 0 307.400 4.031 50 0 DIAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)s1 ZINC000048345533 563697085 /nfs/dbraw/zinc/69/70/85/563697085.db2.gz OBCZXKBCDOSENK-ZDUSSCGKSA-N 0 0 303.427 4.335 50 0 DIAARN Cc1ccc([C@H](C)N(C)Cc2nc(-c3ccsc3)no2)s1 ZINC000048342219 563697140 /nfs/dbraw/zinc/69/71/40/563697140.db2.gz BBRDOUGUMMSYSN-NSHDSACASA-N 0 0 319.455 4.361 50 0 DIAARN Cc1cc(C)c(NC(=O)CCc2ccccc2Cl)c(C)n1 ZINC000048344652 563697184 /nfs/dbraw/zinc/69/71/84/563697184.db2.gz CNEIWPXPHZOEQO-UHFFFAOYSA-N 0 0 302.805 4.232 50 0 DIAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@]2(C)O ZINC000039580754 563697958 /nfs/dbraw/zinc/69/79/58/563697958.db2.gz QGKQXZFZOIQFBI-GHSAMEMESA-N 0 0 306.490 4.141 50 0 biogenic DIAARN CC(C)c1nccn1Cc1cccc(NC(=O)CC(C)(C)C)c1 ZINC000048364342 563698227 /nfs/dbraw/zinc/69/82/27/563698227.db2.gz NHKFNDKFPUYZNF-UHFFFAOYSA-N 0 0 313.445 4.430 50 0 DIAARN c1csc(-c2nnc(Sc3nc4ccccc4o3)o2)c1 ZINC000048545719 563699293 /nfs/dbraw/zinc/69/92/93/563699293.db2.gz BVYARGHWXQRDCS-UHFFFAOYSA-N 0 0 301.352 4.091 50 0 DIAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc2ncccc2c1 ZINC000049549716 563701627 /nfs/dbraw/zinc/70/16/27/563701627.db2.gz QLJZNOCLSPGKJX-CQSZACIVSA-N 0 0 320.396 4.310 50 0 DIAARN CCc1cc(CN(C)Cc2ccc([C@H]3CCCCO3)s2)on1 ZINC000215227902 563704766 /nfs/dbraw/zinc/70/47/66/563704766.db2.gz ZIEGCXFAIREQEP-MRXNPFEDSA-N 0 0 320.458 4.172 50 0 DIAARN CCc1c2ccccc2[nH]c1C(=O)N(C)Cc1ccccc1F ZINC000216000025 563707669 /nfs/dbraw/zinc/70/76/69/563707669.db2.gz OUCBWTQKDQPPJV-UHFFFAOYSA-N 0 0 310.372 4.142 50 0 DIAARN Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)[nH]n2)cc1C ZINC000006943167 563709567 /nfs/dbraw/zinc/70/95/67/563709567.db2.gz LTHKPYDDWFYVNX-UHFFFAOYSA-N 0 0 311.429 4.098 50 0 DIAARN COc1cccc([C@H]2CCN2Cc2cc3c(cc2OC)CCC3)c1 ZINC000216385717 563709900 /nfs/dbraw/zinc/70/99/00/563709900.db2.gz CSRRHXKITRHTGE-HXUWFJFHSA-N 0 0 323.436 4.140 50 0 DIAARN CSc1ccc([C@H](c2ccccc2)C(C(C)=O)C(C)=O)cc1 ZINC000000730744 563712698 /nfs/dbraw/zinc/71/26/98/563712698.db2.gz ZIHNPQYUMJTIHK-IBGZPJMESA-N 0 0 312.434 4.335 50 0 DIAARN Cc1nc2sc3c(c2c(N2C[C@H](C)C[C@H](C)C2)n1)CCCC3 ZINC000000753851 563713070 /nfs/dbraw/zinc/71/30/70/563713070.db2.gz QCJPRMJXDIUYRI-TXEJJXNPSA-N 0 0 315.486 4.361 50 0 DIAARN COc1ccccc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007115828 563713731 /nfs/dbraw/zinc/71/37/31/563713731.db2.gz XTWXGOACYFNUOE-UHFFFAOYSA-N 0 0 315.760 4.011 50 0 DIAARN Cc1ccc2nc(-c3ccncc3)c(NC3CCCCC3)n2c1 ZINC000000779112 563714865 /nfs/dbraw/zinc/71/48/65/563714865.db2.gz PFCQXZJJUWAWIM-UHFFFAOYSA-N 0 0 306.413 4.449 50 0 DIAARN Cc1ccccc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000022135217 563715336 /nfs/dbraw/zinc/71/53/36/563715336.db2.gz GANNFVSWVBWUQY-UHFFFAOYSA-N 0 0 322.239 4.023 50 0 DIAARN COc1cccc2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000003174177 563716061 /nfs/dbraw/zinc/71/60/61/563716061.db2.gz ZDMAFZQIVGBHGQ-UHFFFAOYSA-N 0 0 318.785 4.211 50 0 DIAARN O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000800879 563717012 /nfs/dbraw/zinc/71/70/12/563717012.db2.gz BTJDPQCUBBJLPC-UHFFFAOYSA-N 0 0 304.758 4.309 50 0 DIAARN FC(F)(F)[C@@H]1CCC[C@H](Nc2cccc(-c3nc[nH]n3)c2)C1 ZINC000128761526 563718107 /nfs/dbraw/zinc/71/81/07/563718107.db2.gz ODDSMVITLMKVER-YPMHNXCESA-N 0 0 310.323 4.005 50 0 DIAARN CC(C)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000008157889 563719206 /nfs/dbraw/zinc/71/92/06/563719206.db2.gz QKDXYXNPKUTAIC-VQHVLOKHSA-N 0 0 309.365 4.191 50 0 DIAARN O=C(/C=C/c1ccco1)N[C@H](c1ccsc1)c1cccs1 ZINC000390827496 563719317 /nfs/dbraw/zinc/71/93/17/563719317.db2.gz YRIFUPIMJXVLAU-SQRWCISFSA-N 0 0 315.419 4.322 50 0 DIAARN O=C(/C=C/c1cccs1)NCc1ccc(-c2ccoc2)cc1 ZINC000390829296 563719654 /nfs/dbraw/zinc/71/96/54/563719654.db2.gz DITKQJJTIVIOPC-BQYQJAHWSA-N 0 0 309.390 4.338 50 0 DIAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1cccs1 ZINC000390830528 563720580 /nfs/dbraw/zinc/72/05/80/563720580.db2.gz LPERJAGGSFVWTR-UHFFFAOYSA-N 0 0 303.408 4.042 50 0 DIAARN Cc1cccc(CC(=O)N2CCCC[C@@H]2CSC(C)(C)C)c1 ZINC000390831740 563720687 /nfs/dbraw/zinc/72/06/87/563720687.db2.gz UMCZZNHUQFEGAY-QGZVFWFLSA-N 0 0 319.514 4.450 50 0 DIAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000008480293 563722439 /nfs/dbraw/zinc/72/24/39/563722439.db2.gz JVHLSASJHOLMDQ-GUYCJALGSA-N 0 0 317.816 4.375 50 0 DIAARN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)C1CC1 ZINC000033328596 563723965 /nfs/dbraw/zinc/72/39/65/563723965.db2.gz ZEPAKHSYKZCJOH-UHFFFAOYSA-N 0 0 311.772 4.232 50 0 DIAARN COc1cc2c(cc1CN[C@H](C)c1ccccc1F)O[C@H](C)C2 ZINC000025363160 563726705 /nfs/dbraw/zinc/72/67/05/563726705.db2.gz XQMKRVMBTHPWGB-CHWSQXEVSA-N 0 0 315.388 4.009 50 0 DIAARN CC[C@@H](C)NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000026978293 563737158 /nfs/dbraw/zinc/73/71/58/563737158.db2.gz SWEXAHWXNSWUBA-CYBMUJFWSA-N 0 0 317.816 4.447 50 0 DIAARN Cc1nc(Cl)cc(N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000225425304 563754769 /nfs/dbraw/zinc/75/47/69/563754769.db2.gz CITVBCWFBJMKST-YGRLFVJLSA-N 0 0 317.820 4.324 50 0 DIAARN Cc1cccc(CCCOC(=O)Cc2c(C)cccc2Cl)n1 ZINC000225417796 563754844 /nfs/dbraw/zinc/75/48/44/563754844.db2.gz LKBODMUSDLMLCR-UHFFFAOYSA-N 0 0 317.816 4.070 50 0 DIAARN Cc1c2cccc(F)c2oc1C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000225460406 563755818 /nfs/dbraw/zinc/75/58/18/563755818.db2.gz YYMMXHNVEUCPHR-NSHDSACASA-N 0 0 301.361 4.285 50 0 DIAARN CC1CCC(c2nc(=O)c3c4c(sc3[nH]2)SCCC4)CC1 ZINC000225511975 563757096 /nfs/dbraw/zinc/75/70/96/563757096.db2.gz VZXNAMOLMABGNV-UHFFFAOYSA-N 0 0 320.483 4.317 50 0 DIAARN CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C=O)c2)c1 ZINC000040449486 563757912 /nfs/dbraw/zinc/75/79/12/563757912.db2.gz NUHQVECRWAHQHJ-UHFFFAOYSA-N 0 0 311.381 4.191 50 0 DIAARN Cc1oc(-c2ccsc2)nc1CC(=O)NC1(C)CCCCC1 ZINC000225535623 563758205 /nfs/dbraw/zinc/75/82/05/563758205.db2.gz GYUFEGMJYKPMOV-UHFFFAOYSA-N 0 0 318.442 4.093 50 0 DIAARN Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccccc3)n2C)s1 ZINC000225688071 563759499 /nfs/dbraw/zinc/75/94/99/563759499.db2.gz TZWNSRSGNYRHCB-ZDUSSCGKSA-N 0 0 312.442 4.049 50 0 DIAARN CO[C@H](C)c1nsc(Oc2ccc(-c3ccccc3)nc2)n1 ZINC000225750926 563761887 /nfs/dbraw/zinc/76/18/87/563761887.db2.gz SWKBLWRRCHXKRD-LLVKDONJSA-N 0 0 313.382 4.100 50 0 DIAARN COc1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012391997 563769726 /nfs/dbraw/zinc/76/97/26/563769726.db2.gz UJDKGQDFFZPYOE-UHFFFAOYSA-N 0 0 318.376 4.373 50 0 DIAARN Cc1cc(=O)oc2cc(OC(=O)c3cccs3)c(Cl)cc12 ZINC000000859103 563772781 /nfs/dbraw/zinc/77/27/81/563772781.db2.gz XZODKGLHCFQICE-UHFFFAOYSA-N 0 0 320.753 4.036 50 0 DIAARN C[C@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229613585 563772851 /nfs/dbraw/zinc/77/28/51/563772851.db2.gz DRMVBDRUIKPZNG-LMOYCYGVSA-N 0 0 309.450 4.247 50 0 DIAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)C3CCCCC3)ccc12 ZINC000000859309 563772889 /nfs/dbraw/zinc/77/28/89/563772889.db2.gz GEXGQYBHEJIGFQ-UHFFFAOYSA-N 0 0 314.381 4.204 50 0 DIAARN Cc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1F ZINC000012422264 563774239 /nfs/dbraw/zinc/77/42/39/563774239.db2.gz OXXIWDDBAKEUAW-UHFFFAOYSA-N 0 0 316.357 4.032 50 0 DIAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1 ZINC000239165138 563775579 /nfs/dbraw/zinc/77/55/79/563775579.db2.gz NNTFSKVPDHOQGX-BHIYHBOVSA-N 0 0 319.404 4.068 50 0 DIAARN Cc1cc(Cl)c2ccccc2c1NC(=O)C1CCOCC1 ZINC000241383305 563777562 /nfs/dbraw/zinc/77/75/62/563777562.db2.gz MUDDTRAJOAMNTJ-UHFFFAOYSA-N 0 0 303.789 4.167 50 0 DIAARN Cc1ccc(CN(C)Cc2cncn2C2CCCCC2)s1 ZINC000244734753 563779094 /nfs/dbraw/zinc/77/90/94/563779094.db2.gz NLHZZZYRVSAKPE-UHFFFAOYSA-N 0 0 303.475 4.390 50 0 DIAARN O=C(Nc1ccc(-c2ccncc2)nc1)c1ccc(Cl)s1 ZINC000585149387 563781532 /nfs/dbraw/zinc/78/15/32/563781532.db2.gz HVNGBVXKGSNGCG-UHFFFAOYSA-N 0 0 315.785 4.111 50 0 DIAARN C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CCC[C@@H]12 ZINC000254296383 563785249 /nfs/dbraw/zinc/78/52/49/563785249.db2.gz SGQIYKXGWYOMQI-HGHADFFWSA-N 0 0 306.490 4.141 50 0 DIAARN CC(C)Cc1noc(CN(C)[C@@H](C)c2ccccc2Cl)n1 ZINC000052162660 563785525 /nfs/dbraw/zinc/78/55/25/563785525.db2.gz CFFLMLBJRMWOIY-LBPRGKRZSA-N 0 0 307.825 4.115 50 0 DIAARN CC(C)(C)c1csc(NC(=O)CCCc2ccccc2)n1 ZINC000000999660 563786286 /nfs/dbraw/zinc/78/62/86/563786286.db2.gz MQWKEJCDGOMPIQ-UHFFFAOYSA-N 0 0 302.443 4.402 50 0 DIAARN COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1C ZINC000001002222 563786705 /nfs/dbraw/zinc/78/67/05/563786705.db2.gz CVFOCOFFCWDYRS-UHFFFAOYSA-N 0 0 317.410 4.219 50 0 DIAARN CC[C@H](C)NC(=O)Cn1c(-c2ccc(C)cc2)csc1=S ZINC000025377356 563787405 /nfs/dbraw/zinc/78/74/05/563787405.db2.gz YLXOKIVQLXDJMP-LBPRGKRZSA-N 0 0 320.483 4.169 50 0 DIAARN CN(C(=O)Nc1nccs1)C1CCC(c2ccccc2)CC1 ZINC000052460533 563788320 /nfs/dbraw/zinc/78/83/20/563788320.db2.gz ASGCTGHTOOGTSO-UHFFFAOYSA-N 0 0 315.442 4.333 50 0 DIAARN C[C@@H](N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C(C)(C)C ZINC000052448593 563788447 /nfs/dbraw/zinc/78/84/47/563788447.db2.gz ZXKFJVUUYGSGFO-GFCCVEGCSA-N 0 0 317.458 4.041 50 0 DIAARN Fc1cc(Br)c(C(F)F)cc1Br ZINC000263623191 563794413 /nfs/dbraw/zinc/79/44/13/563794413.db2.gz FMHINYIZKDLDEA-UHFFFAOYSA-N 0 0 303.903 4.288 50 0 DIAARN CC(=O)c1cc(C(F)(F)F)c(Br)cc1Cl ZINC000263624403 563794625 /nfs/dbraw/zinc/79/46/25/563794625.db2.gz QDYPFFXQHMXMII-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN CC(=O)c1cc(Br)c(Cl)c(C(F)(F)F)c1 ZINC000263623978 563794669 /nfs/dbraw/zinc/79/46/69/563794669.db2.gz MHMIKHUHVYVCAD-UHFFFAOYSA-N 0 0 301.489 4.324 50 0 DIAARN Fc1cc(Br)c(C(F)F)c(Br)c1 ZINC000263624360 563794792 /nfs/dbraw/zinc/79/47/92/563794792.db2.gz PSFUPQYBXULAGU-UHFFFAOYSA-N 0 0 303.903 4.288 50 0 DIAARN O[C@H](Cn1c2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000012507446 563796644 /nfs/dbraw/zinc/79/66/44/563796644.db2.gz PPHNRHPNBPXPPZ-HXUWFJFHSA-N 0 0 314.388 4.437 50 0 DIAARN O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2ccccc21 ZINC000012521475 563797464 /nfs/dbraw/zinc/79/74/64/563797464.db2.gz QJGJGHKMTLUMEO-QGZVFWFLSA-N 0 0 324.767 4.454 50 0 DIAARN COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(C)n3)ccc2c1 ZINC000012527452 563797703 /nfs/dbraw/zinc/79/77/03/563797703.db2.gz IQHOTRXMBCSPHI-CQSZACIVSA-N 0 0 320.392 4.294 50 0 DIAARN O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000012528268 563798529 /nfs/dbraw/zinc/79/85/29/563798529.db2.gz XDGKMYABMBEXCT-UHFFFAOYSA-N 0 0 302.377 4.366 50 0 DIAARN CCN(c1ccc(NC(=O)c2ccc(OC)cc2)cc1)C(C)C ZINC000003252584 563799542 /nfs/dbraw/zinc/79/95/42/563799542.db2.gz JBLATQKNMMHISR-UHFFFAOYSA-N 0 0 312.413 4.182 50 0 DIAARN C[C@H]1CCCN(C(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000003252362 563799573 /nfs/dbraw/zinc/79/95/73/563799573.db2.gz UFVXQGLLDOVARI-VIFPVBQESA-N 0 0 303.258 4.422 50 0 DIAARN Cc1cc(C(=O)CSc2ccc(C(F)(F)F)cn2)c(C)[nH]1 ZINC000012545509 563800174 /nfs/dbraw/zinc/80/01/74/563800174.db2.gz GENPPJTUXXRKAS-UHFFFAOYSA-N 0 0 314.332 4.020 50 0 DIAARN O=C(CCC1CCCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000012546038 563800617 /nfs/dbraw/zinc/80/06/17/563800617.db2.gz VFVWDNXJCYZAJK-UHFFFAOYSA-N 0 0 323.440 4.149 50 0 DIAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(C)cc3)nc(=O)c2c1C ZINC000012554569 563801335 /nfs/dbraw/zinc/80/13/35/563801335.db2.gz ISLPIGYRROVKGV-LLVKDONJSA-N 0 0 313.426 4.083 50 0 DIAARN Cc1ccc2c(CC(=O)NCc3ccc(Cl)cc3)coc2c1 ZINC000003524897 563801656 /nfs/dbraw/zinc/80/16/56/563801656.db2.gz GSTLAXYOMIJEGR-UHFFFAOYSA-N 0 0 313.784 4.254 50 0 DIAARN Cc1ccc(C)c(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000012562527 563802002 /nfs/dbraw/zinc/80/20/02/563802002.db2.gz LHFBZLLFFSAHDI-UHFFFAOYSA-N 0 0 306.409 4.078 50 0 DIAARN C[C@H]1CCc2ccccc2N1Cc1nc(-c2ccccc2)no1 ZINC000012595450 563802670 /nfs/dbraw/zinc/80/26/70/563802670.db2.gz JGCADWCBDZKCRG-AWEZNQCLSA-N 0 0 305.381 4.078 50 0 DIAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)[C@H]1CC=CCC1 ZINC000012596363 563802922 /nfs/dbraw/zinc/80/29/22/563802922.db2.gz OTTMXDFNIBYWCM-ZDUSSCGKSA-N 0 0 304.821 4.235 50 0 DIAARN Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000012615843 563803362 /nfs/dbraw/zinc/80/33/62/563803362.db2.gz OERRZUJLNAKBDZ-UHFFFAOYSA-N 0 0 318.376 4.044 50 0 DIAARN CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000012607456 563803599 /nfs/dbraw/zinc/80/35/99/563803599.db2.gz DBDDGSCEBASVIF-FQEVSTJZSA-N 0 0 316.404 4.163 50 0 DIAARN O=C(c1cccc(-c2ccncc2F)c1)N1CCCCCCC1 ZINC000299770934 563805823 /nfs/dbraw/zinc/80/58/23/563805823.db2.gz OCQREYCGWHQQEL-UHFFFAOYSA-N 0 0 312.388 4.294 50 0 DIAARN COc1cccc(NC(=O)NCCc2ccc(C(C)C)cc2)c1 ZINC000012621717 563807442 /nfs/dbraw/zinc/80/74/42/563807442.db2.gz PCUOKDZOZPQMNJ-UHFFFAOYSA-N 0 0 312.413 4.183 50 0 DIAARN Cc1nc2cc(NC(=O)CSCc3cccs3)ccc2o1 ZINC000012622294 563807668 /nfs/dbraw/zinc/80/76/68/563807668.db2.gz JHCOSJWKDHDUIW-UHFFFAOYSA-N 0 0 318.423 4.070 50 0 DIAARN COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 ZINC000045120407 563807683 /nfs/dbraw/zinc/80/76/83/563807683.db2.gz JIRGTWLKTWNDAO-CRAIPNDOSA-N 0 0 324.424 4.221 50 0 DIAARN CC(=O)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000001236773 563808950 /nfs/dbraw/zinc/80/89/50/563808950.db2.gz GZZGDUGQEWMYGN-UHFFFAOYSA-N 0 0 314.724 4.039 50 0 biogenic DIAARN Cc1noc(C)c1CNc1cc(Cl)ccc1N1CCCC1 ZINC000052918046 563810587 /nfs/dbraw/zinc/81/05/87/563810587.db2.gz KJINJVOMRFTPEJ-UHFFFAOYSA-N 0 0 305.809 4.157 50 0 DIAARN Cc1ccc2c(c1)[C@H](O)C[C@H](C)N2C(=O)c1ccc(Cl)cc1 ZINC000001315220 563811499 /nfs/dbraw/zinc/81/14/99/563811499.db2.gz AZGHPONYURSMKP-YVEFUNNKSA-N 0 0 315.800 4.121 50 0 DIAARN CC(C)c1cc(C(=O)Nc2ccc(O)cc2)c2ccccc2n1 ZINC000032104458 563811733 /nfs/dbraw/zinc/81/17/33/563811733.db2.gz ROMCFTYHOXRQTP-UHFFFAOYSA-N 0 0 306.365 4.316 50 0 DIAARN Cc1occc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000131451007 563811777 /nfs/dbraw/zinc/81/17/77/563811777.db2.gz JINSWEKEWYPFPH-GFCCVEGCSA-N 0 0 307.440 4.105 50 0 DIAARN COc1cc2ncnc(Nc3cc(C)ccc3C)c2cc1OC ZINC000001386800 563814942 /nfs/dbraw/zinc/81/49/42/563814942.db2.gz GXOXVSHIWIPFMC-UHFFFAOYSA-N 0 0 309.369 4.007 50 0 DIAARN COC(=O)c1cc(Sc2c(Cl)cccc2Cl)ccn1 ZINC000001389112 563814994 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ZINC000002271182 563921011 /nfs/dbraw/zinc/92/10/11/563921011.db2.gz DBCAXWXCUHTHFN-SECBINFHSA-N 0 0 307.488 4.291 50 0 DIAARN CC(C)C[C@@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 ZINC000016966982 563923684 /nfs/dbraw/zinc/92/36/84/563923684.db2.gz QYFXPGHTFHCECJ-QGZVFWFLSA-N 0 0 313.445 4.347 50 0 DIAARN COC(=O)c1cc2oc(C)cc2c(Nc2cccc(Cl)c2)n1 ZINC000019928683 563923755 /nfs/dbraw/zinc/92/37/55/563923755.db2.gz IZIKELOCURXRNZ-UHFFFAOYSA-N 0 0 316.744 4.320 50 0 DIAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000033833382 563923900 /nfs/dbraw/zinc/92/39/00/563923900.db2.gz YWYQTGBBEZQBGO-QUNSLWISSA-N 0 0 320.517 4.387 50 0 DIAARN Cc1ccc([S@](=O)/C(F)=C\COCc2ccccc2)cc1 ZINC000195822439 563924370 /nfs/dbraw/zinc/92/43/70/563924370.db2.gz YFGXJTYNLNXOEZ-LRJKXPEMSA-N 0 0 304.386 4.130 50 0 DIAARN Cc1cccc(OP(N)(=O)Oc2cccc(C)c2C)c1C ZINC000002290801 563925488 /nfs/dbraw/zinc/92/54/88/563925488.db2.gz KPJTZJXAANQOFU-UHFFFAOYSA-N 0 0 305.314 4.445 50 0 DIAARN Cc1ccc(S(=O)(=O)c2csc(-c3cccs3)n2)cc1 ZINC000027562122 563925865 /nfs/dbraw/zinc/92/58/65/563925865.db2.gz OKJDXBYLCRXMBI-UHFFFAOYSA-N 0 0 321.448 4.013 50 0 DIAARN CN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000055049336 563926098 /nfs/dbraw/zinc/92/60/98/563926098.db2.gz UGWBGGWPPXAPNS-UHFFFAOYSA-N 0 0 322.433 4.108 50 0 DIAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 ZINC000253498770 563926483 /nfs/dbraw/zinc/92/64/83/563926483.db2.gz SPPQPIJYSMWOGE-QYYVTAPASA-N 0 0 316.485 4.469 50 0 biogenic DIAARN Cc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccco2)cc1 ZINC000002356681 563927235 /nfs/dbraw/zinc/92/72/35/563927235.db2.gz ZNWQLZOANJQIBK-QGZVFWFLSA-N 0 0 309.365 4.019 50 0 DIAARN CCCCn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21 ZINC000002400416 563927852 /nfs/dbraw/zinc/92/78/52/563927852.db2.gz UQMRTQJDPDJABA-UHFFFAOYSA-N 0 0 324.428 4.369 50 0 DIAARN CC[C@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn31)CCC2 ZINC000002442253 563928651 /nfs/dbraw/zinc/92/86/51/563928651.db2.gz WMAJCZDQNGXZKD-ZDUSSCGKSA-N 0 0 320.440 4.404 50 0 DIAARN O=C(Nc1ccc2c(c1)COC2)N1CCC=C(c2ccccc2)C1 ZINC000225477745 563928663 /nfs/dbraw/zinc/92/86/63/563928663.db2.gz JBGGUFZCOIEFNX-UHFFFAOYSA-N 0 0 320.392 4.038 50 0 DIAARN NC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1 ZINC000012960516 563929031 /nfs/dbraw/zinc/92/90/31/563929031.db2.gz TZKUTJQWOHHKCN-UHFFFAOYSA-N 0 0 322.311 4.081 50 0 DIAARN Brc1ccccc1CN1C=C[C@H](c2ccccc2)O1 ZINC000012959711 563929084 /nfs/dbraw/zinc/92/90/84/563929084.db2.gz UQURVZFEZRYKFY-MRXNPFEDSA-N 0 0 316.198 4.451 50 0 DIAARN Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(Cl)c1 ZINC000013041387 563929225 /nfs/dbraw/zinc/92/92/25/563929225.db2.gz YDBYOWLSFKBZFK-UHFFFAOYSA-N 0 0 314.816 4.040 50 0 DIAARN Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(Cl)c1 ZINC000013038973 563929306 /nfs/dbraw/zinc/92/93/06/563929306.db2.gz HAAFIBRCJOWUOS-UHFFFAOYSA-N 0 0 316.832 4.027 50 0 DIAARN Cc1csc(C2(NC(=O)Nc3ccc(F)cc3)CCCC2)n1 ZINC000078821439 563929932 /nfs/dbraw/zinc/92/99/32/563929932.db2.gz WUFLOPXECAOLRR-UHFFFAOYSA-N 0 0 319.405 4.182 50 0 DIAARN COc1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1C ZINC000079104201 563930243 /nfs/dbraw/zinc/93/02/43/563930243.db2.gz ARMZJIFXWVJJGZ-UHFFFAOYSA-N 0 0 302.418 4.333 50 0 DIAARN Cc1ccc(CN(C(=O)N[C@@H](C)c2ncc(C)s2)C(C)C)o1 ZINC000079081405 563930291 /nfs/dbraw/zinc/93/02/91/563930291.db2.gz MFTZNSALGYUHEM-ZDUSSCGKSA-N 0 0 321.446 4.034 50 0 DIAARN CC(=O)N(c1nc(CSc2ccccc2C)cs1)C1CC1 ZINC000079350791 563930520 /nfs/dbraw/zinc/93/05/20/563930520.db2.gz LXCBTLPPZROIOT-UHFFFAOYSA-N 0 0 318.467 4.259 50 0 DIAARN O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H]2CCCC[C@@H]21 ZINC000079538489 563930554 /nfs/dbraw/zinc/93/05/54/563930554.db2.gz ONHANSWVRKTECF-MFKMUULPSA-N 0 0 315.310 4.249 50 0 DIAARN Cc1cc(C(=O)NCc2nc(C3CCCCC3)cs2)c(C)o1 ZINC000390832132 563930686 /nfs/dbraw/zinc/93/06/86/563930686.db2.gz XNFRZDKGMJUIMB-UHFFFAOYSA-N 0 0 318.442 4.331 50 0 DIAARN O=C(/C=C/c1cccs1)NC1(c2cccs2)CCCC1 ZINC000390828484 563930810 /nfs/dbraw/zinc/93/08/10/563930810.db2.gz RGXZPTSEIKGDFB-BQYQJAHWSA-N 0 0 303.452 4.409 50 0 DIAARN O=C(NCCc1ccc(-c2ccoc2)s1)c1ccsc1 ZINC000390832115 563930814 /nfs/dbraw/zinc/93/08/14/563930814.db2.gz XJHUFQPWGGGMRN-UHFFFAOYSA-N 0 0 303.408 4.042 50 0 DIAARN Cc1c(-c2ccccc2)nn2c1nccc2-c1ccccc1O ZINC000095477810 563931824 /nfs/dbraw/zinc/93/18/24/563931824.db2.gz HJYNTAXXYKXFHC-UHFFFAOYSA-N 0 0 301.349 4.077 50 0 DIAARN Cc1ccccc1NC(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000020985424 563931827 /nfs/dbraw/zinc/93/18/27/563931827.db2.gz FTIKFENTTJICIH-HNNXBMFYSA-N 0 0 307.397 4.016 50 0 DIAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1ccccc1CC ZINC000021051222 563931913 /nfs/dbraw/zinc/93/19/13/563931913.db2.gz LMOWYIOUBSCPFZ-SFHVURJKSA-N 0 0 311.429 4.439 50 0 DIAARN C[C@H](Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)nc1 ZINC000095940747 563931983 /nfs/dbraw/zinc/93/19/83/563931983.db2.gz UBVVQNVTOPIUFP-ZDUSSCGKSA-N 0 0 312.804 4.153 50 0 DIAARN CC(C)C[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000095949716 563932120 /nfs/dbraw/zinc/93/21/20/563932120.db2.gz WZWHHZCLRSANTB-KDOFPFPSSA-N 0 0 323.440 4.294 50 0 DIAARN Fc1ccc(-c2cn3nc(NC4CCCCC4)sc3n2)cc1 ZINC000095951608 563932127 /nfs/dbraw/zinc/93/21/27/563932127.db2.gz VVGZDUIRDKDYGA-UHFFFAOYSA-N 0 0 316.405 4.342 50 0 DIAARN CC(C)C[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000095949714 563932131 /nfs/dbraw/zinc/93/21/31/563932131.db2.gz WZWHHZCLRSANTB-KSSFIOAISA-N 0 0 323.440 4.294 50 0 DIAARN COc1cc(Cl)ccc1C(=O)N[C@H]1CCCc2sccc21 ZINC000095944831 563932222 /nfs/dbraw/zinc/93/22/22/563932222.db2.gz WPOBTHSJKRUIIM-ZDUSSCGKSA-N 0 0 321.829 4.218 50 0 DIAARN CC(C)n1ccc(=O)nc1S[C@H](C)c1cccc(Cl)c1 ZINC000095948590 563932246 /nfs/dbraw/zinc/93/22/46/563932246.db2.gz GCKHMUQIZOTTKT-LLVKDONJSA-N 0 0 308.834 4.331 50 0 DIAARN CC(C)c1ocnc1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000095956691 563932392 /nfs/dbraw/zinc/93/23/92/563932392.db2.gz LHPDUTIIQLNDDO-UHFFFAOYSA-N 0 0 316.254 4.208 50 0 DIAARN CC(C)c1noc([C@H](C)Oc2ccccc2Br)n1 ZINC000095961288 563932505 /nfs/dbraw/zinc/93/25/05/563932505.db2.gz PAMNTVXJKJQCRJ-VIFPVBQESA-N 0 0 311.179 4.096 50 0 DIAARN COc1ccc([C@@H](Nc2nccc(C)n2)c2ccc(F)cc2)cc1 ZINC000095960465 563932519 /nfs/dbraw/zinc/93/25/19/563932519.db2.gz HUZQHAGPVJCAOA-SFHVURJKSA-N 0 0 323.371 4.134 50 0 DIAARN Cc1cnc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)cn1 ZINC000095967373 563933011 /nfs/dbraw/zinc/93/30/11/563933011.db2.gz XYIPYUARQQEDOS-NRFANRHFSA-N 0 0 317.436 4.249 50 0 DIAARN c1[nH]nc2c1cccc2CNc1cccc(N2CCCCC2)c1 ZINC000095971902 563933390 /nfs/dbraw/zinc/93/33/90/563933390.db2.gz XKVSPZUFEBQAMG-UHFFFAOYSA-N 0 0 306.413 4.165 50 0 DIAARN CCc1noc(CC)c1CN[C@H](C)c1cnc2ccsc2c1 ZINC000095969162 563933507 /nfs/dbraw/zinc/93/35/07/563933507.db2.gz ZLEUUIREYPEPKD-LLVKDONJSA-N 0 0 315.442 4.260 50 0 DIAARN CCc1cc(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)sc1C ZINC000095994001 563934394 /nfs/dbraw/zinc/93/43/94/563934394.db2.gz AYZFTYPXHHOUIC-CVEARBPZSA-N 0 0 323.502 4.333 50 0 DIAARN CC(=O)c1csc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1 ZINC000095973286 563933752 /nfs/dbraw/zinc/93/37/52/563933752.db2.gz ICDWDSFDQXDPQG-MEDUHNTESA-N 0 0 313.422 4.319 50 0 DIAARN O=C(Nc1ccc2cccc(Cl)c2n1)c1n[nH]c2ccccc21 ZINC000096003437 563934559 /nfs/dbraw/zinc/93/45/59/563934559.db2.gz XJGRVFJARZXOJK-UHFFFAOYSA-N 0 0 322.755 4.017 50 0 DIAARN CC/C(=C\C(=O)N(C)Cc1cccc(OC)c1)c1ccc(C)cc1 ZINC000096035777 563935327 /nfs/dbraw/zinc/93/53/27/563935327.db2.gz RKQSFSAMPPWVGB-NBVRZTHBSA-N 0 0 323.436 4.456 50 0 DIAARN CCC[C@@]1(CCNC(=O)Cc2ccccc2)CCOC(C)(C)C1 ZINC000096116038 563935401 /nfs/dbraw/zinc/93/54/01/563935401.db2.gz GWHQTZWSVXHIJY-HXUWFJFHSA-N 0 0 317.473 4.111 50 0 biogenic DIAARN CC(C)CC(=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096116116 563935452 /nfs/dbraw/zinc/93/54/52/563935452.db2.gz VYVIIZWBVONXJX-AWEZNQCLSA-N 0 0 304.821 4.361 50 0 biogenic DIAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccsc1 ZINC000096120193 563935499 /nfs/dbraw/zinc/93/54/99/563935499.db2.gz ZDZHSULZFRPMPE-UHFFFAOYSA-N 0 0 313.344 4.016 50 0 DIAARN O=C(c1ccc2ncsc2c1)N(Cc1ccsc1)C1CC1 ZINC000096120287 563935507 /nfs/dbraw/zinc/93/55/07/563935507.db2.gz WIZRMHNCOZQZNX-UHFFFAOYSA-N 0 0 314.435 4.163 50 0 DIAARN CC[C@@](CNC(=O)c1ccc(Cl)s1)(OC)c1ccccc1 ZINC000096123698 563935607 /nfs/dbraw/zinc/93/56/07/563935607.db2.gz TYGCNZXBNFMRKL-INIZCTEOSA-N 0 0 323.845 4.083 50 0 DIAARN O=C(CSC/C=C\c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000096121263 563935608 /nfs/dbraw/zinc/93/56/08/563935608.db2.gz CTWVUNFSWZVWBQ-DAXSKMNVSA-N 0 0 319.376 4.350 50 0 DIAARN CCN(CC)C(=O)/C=C\c1cccc(OCc2ccccc2)c1 ZINC000096129575 563935644 /nfs/dbraw/zinc/93/56/44/563935644.db2.gz IKWVVAMUVZBIMG-YPKPFQOOSA-N 0 0 309.409 4.147 50 0 DIAARN Cc1cc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c(C)o1 ZINC000096124485 563935668 /nfs/dbraw/zinc/93/56/68/563935668.db2.gz AFYMBEWIWIHEKE-UHFFFAOYSA-N 0 0 314.366 4.492 50 0 DIAARN O=C(NCc1ccccc1)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183959 563935795 /nfs/dbraw/zinc/93/57/95/563935795.db2.gz GUCSWWALNRRPPI-UHFFFAOYSA-N 0 0 311.312 4.141 50 0 DIAARN O=C(/C=C\c1ccccn1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000096179381 563935873 /nfs/dbraw/zinc/93/58/73/563935873.db2.gz WUUDNQIILMDVFE-CBUFDYBVSA-N 0 0 324.399 4.282 50 0 DIAARN COc1ccccc1Oc1ncnc(-c2cc(C)cc(C)c2)c1N ZINC000096286955 563936130 /nfs/dbraw/zinc/93/61/30/563936130.db2.gz UGQZDNIHNBQGPO-UHFFFAOYSA-N 0 0 321.380 4.144 50 0 DIAARN c1ccc(-c2nnc(-c3cccnc3N3CCCCCC3)o2)cc1 ZINC000096338958 563936382 /nfs/dbraw/zinc/93/63/82/563936382.db2.gz MIJNAKFNSNYYNH-UHFFFAOYSA-N 0 0 320.396 4.179 50 0 DIAARN O=[S@@](Cc1coc(-c2ccccc2)n1)CC1CCCCC1 ZINC000096403875 563936654 /nfs/dbraw/zinc/93/66/54/563936654.db2.gz ROARTXXIYGALEN-NRFANRHFSA-N 0 0 303.427 4.171 50 0 DIAARN CC(C)CCN(CCC(C)C)C(=O)c1cc(-c2ccco2)on1 ZINC000022325981 563937586 /nfs/dbraw/zinc/93/75/86/563937586.db2.gz JEVBSAFKODHMNH-UHFFFAOYSA-N 0 0 318.417 4.469 50 0 DIAARN COc1ccc(Cc2nnc(/C=C\c3ccc(C)cc3)o2)cc1 ZINC000096585062 563937674 /nfs/dbraw/zinc/93/76/74/563937674.db2.gz DYNYPPBGZGOTAQ-XFXZXTDPSA-N 0 0 306.365 4.148 50 0 DIAARN CN(C(=O)c1cscn1)c1ccc(C(F)(F)F)cc1Cl ZINC000225531768 563937945 /nfs/dbraw/zinc/93/79/45/563937945.db2.gz YSIQBUWCFAUVOF-UHFFFAOYSA-N 0 0 320.723 4.092 50 0 DIAARN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2cccs2)on1 ZINC000002465652 563938138 /nfs/dbraw/zinc/93/81/38/563938138.db2.gz BUPBLRDHZNOXEC-UHFFFAOYSA-N 0 0 320.757 4.014 50 0 DIAARN CCCCCOc1ccccc1Cn1c2ccccc2oc1=O ZINC000002502444 563938162 /nfs/dbraw/zinc/93/81/62/563938162.db2.gz BAYDIWRRQGAEFQ-UHFFFAOYSA-N 0 0 311.381 4.212 50 0 DIAARN Cc1ccc(CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000002484912 563938244 /nfs/dbraw/zinc/93/82/44/563938244.db2.gz CVFHIKAWXVSYQW-UHFFFAOYSA-N 0 0 306.394 4.107 50 0 DIAARN COc1ccc(NCCC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000002520995 563938463 /nfs/dbraw/zinc/93/84/63/563938463.db2.gz JCPPPKFBTRRFHO-UHFFFAOYSA-N 0 0 319.788 4.042 50 0 DIAARN CO[C@@H](CSc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000225777593 563938563 /nfs/dbraw/zinc/93/85/63/563938563.db2.gz HLXSLBMZFWMADU-VIFPVBQESA-N 0 0 320.361 4.037 50 0 DIAARN Cc1ccccc1OCc1ccc(C(=O)N2CCCCCC2)o1 ZINC000028236011 563939052 /nfs/dbraw/zinc/93/90/52/563939052.db2.gz QCCNIBRPSBAEDJ-UHFFFAOYSA-N 0 0 313.397 4.183 50 0 DIAARN O=C(NCC1CCCCC1)c1cccc(-c2ccc(O)cc2)c1 ZINC000002622351 563939519 /nfs/dbraw/zinc/93/95/19/563939519.db2.gz GHXRGVSUUCZSMZ-UHFFFAOYSA-N 0 0 309.409 4.369 50 0 DIAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2ccccc2n1 ZINC000002624060 563939551 /nfs/dbraw/zinc/93/95/51/563939551.db2.gz SPAJQTWZQJVLDA-UHFFFAOYSA-N 0 0 300.720 4.280 50 0 DIAARN CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000002633153 563939814 /nfs/dbraw/zinc/93/98/14/563939814.db2.gz SLGUXKYLMNBFPV-HNNXBMFYSA-N 0 0 317.454 4.021 50 0 DIAARN COc1ccc(C(=O)COc2ccc3ccccc3c2)c(OC)c1 ZINC000002650453 563940025 /nfs/dbraw/zinc/94/00/25/563940025.db2.gz YVYGBHKIYBDXAG-UHFFFAOYSA-N 0 0 322.360 4.119 50 0 DIAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccccc1F ZINC000002653882 563940222 /nfs/dbraw/zinc/94/02/22/563940222.db2.gz ROQYWUKADKZVKM-UHFFFAOYSA-N 0 0 315.388 4.313 50 0 DIAARN CCN(C(=O)c1ccccc1F)c1nc2c(cccc2C)s1 ZINC000002656873 563940225 /nfs/dbraw/zinc/94/02/25/563940225.db2.gz KKYDSBGJKUGAMO-UHFFFAOYSA-N 0 0 314.385 4.411 50 0 DIAARN Cc1cc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc2n1 ZINC000002726137 563940417 /nfs/dbraw/zinc/94/04/17/563940417.db2.gz LEADKIJXXRRZNB-UHFFFAOYSA-N 0 0 324.811 4.169 50 0 DIAARN CCCC[C@H](CC)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002750153 563940524 /nfs/dbraw/zinc/94/05/24/563940524.db2.gz PDYJEIDEPSKHKB-HNNXBMFYSA-N 0 0 322.880 4.205 50 0 DIAARN C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccn1 ZINC000028779011 563940674 /nfs/dbraw/zinc/94/06/74/563940674.db2.gz KPNCBMXHVCRECC-ZDUSSCGKSA-N 0 0 314.454 4.293 50 0 DIAARN Cc1sc2ncn3nc([C@H]4C[C@H]4c4ccccc4)nc3c2c1C ZINC000002808687 563940989 /nfs/dbraw/zinc/94/09/89/563940989.db2.gz BXGFPNXNEPLFSP-KBPBESRZSA-N 0 0 320.421 4.227 50 0 DIAARN CC(=O)c1c(C)n(CC(=O)Nc2cccc(C)c2)c2ccccc21 ZINC000002875576 563941123 /nfs/dbraw/zinc/94/11/23/563941123.db2.gz DWHDNAZQWVAIAU-UHFFFAOYSA-N 0 0 320.392 4.099 50 0 DIAARN CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCCc2ccccc21 ZINC000029257969 563941229 /nfs/dbraw/zinc/94/12/29/563941229.db2.gz SXPJHLWYRCVRER-KRWDZBQOSA-N 0 0 301.336 4.114 50 0 DIAARN CC(C)(C)c1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC000262379791 563941516 /nfs/dbraw/zinc/94/15/16/563941516.db2.gz YPKWTUGOWRUVQJ-QEJZJMRPSA-N 0 0 321.486 4.263 50 0 DIAARN Cc1ccccc1CSCCC(=O)NC1CCCCCC1 ZINC000003031816 563941591 /nfs/dbraw/zinc/94/15/91/563941591.db2.gz VZICBBSMYSQLHK-UHFFFAOYSA-N 0 0 305.487 4.457 50 0 DIAARN Cc1ccc(C(=O)N2CCSc3cc(Cl)ccc32)cc1 ZINC000003016159 563941637 /nfs/dbraw/zinc/94/16/37/563941637.db2.gz XADSTUSKQMTZDB-UHFFFAOYSA-N 0 0 303.814 4.401 50 0 DIAARN COc1ccccc1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000030116582 563942280 /nfs/dbraw/zinc/94/22/80/563942280.db2.gz NLMFTVJHFNXSLV-NSHDSACASA-N 0 0 323.314 4.205 50 0 DIAARN CC(C)(CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000003127766 563942349 /nfs/dbraw/zinc/94/23/49/563942349.db2.gz UHTLBVLYKJPPKF-UHFFFAOYSA-N 0 0 310.397 4.070 50 0 DIAARN Cc1nc2sc3c(c2c(N2CCCCCC2)n1)CCCC3 ZINC000003164129 563942544 /nfs/dbraw/zinc/94/25/44/563942544.db2.gz NSYSDMZRORSIAE-UHFFFAOYSA-N 0 0 301.459 4.259 50 0 DIAARN CC(C)c1ccc2nc(CO[C@@H]3CCCC[C@@H]3C)[nH]c(=O)c2c1 ZINC000057771816 563942646 /nfs/dbraw/zinc/94/26/46/563942646.db2.gz XTZCLJRKOHCWAS-SUMWQHHRSA-N 0 0 314.429 4.142 50 0 DIAARN CC(C)c1ccc2nc(CO[C@H]3CCCC[C@@H]3C)[nH]c(=O)c2c1 ZINC000057771813 563942697 /nfs/dbraw/zinc/94/26/97/563942697.db2.gz XTZCLJRKOHCWAS-GUYCJALGSA-N 0 0 314.429 4.142 50 0 DIAARN CC(C)c1ccc(O[P@](N)(=O)Oc2ccccc2F)cc1 ZINC000003195761 563942852 /nfs/dbraw/zinc/94/28/52/563942852.db2.gz IXSPFZDAJVAOMU-NRFANRHFSA-N 0 0 309.277 4.474 50 0 DIAARN Cc1ccc(SC(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000003230514 563942966 /nfs/dbraw/zinc/94/29/66/563942966.db2.gz NXUNSSNGSOSELQ-UHFFFAOYSA-N 0 0 302.786 4.229 50 0 DIAARN CN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000057891690 563943114 /nfs/dbraw/zinc/94/31/14/563943114.db2.gz KDORDZXJXNBZNJ-UHFFFAOYSA-N 0 0 323.440 4.341 50 0 DIAARN CCOC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)cc1C ZINC000003236035 563943164 /nfs/dbraw/zinc/94/31/64/563943164.db2.gz NYKNFHWBSXYNKJ-UHFFFAOYSA-N 0 0 317.410 4.102 50 0 DIAARN O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000003264184 563943354 /nfs/dbraw/zinc/94/33/54/563943354.db2.gz PMVKNDQCVZYHKV-UHFFFAOYSA-N 0 0 311.765 4.142 50 0 DIAARN C[C@@H](NC(=O)CSc1ccccc1Cl)c1ccccc1 ZINC000003258640 563943367 /nfs/dbraw/zinc/94/33/67/563943367.db2.gz CBECEEDDLVMXDI-GFCCVEGCSA-N 0 0 305.830 4.310 50 0 DIAARN C[C@H](Oc1ccccc1Cl)C(=O)N1CCCc2ccccc21 ZINC000003328904 563943428 /nfs/dbraw/zinc/94/34/28/563943428.db2.gz PNWYRMITOWQCOW-ZDUSSCGKSA-N 0 0 315.800 4.087 50 0 DIAARN CCN(c1ccc(NC(=O)c2sc(C)nc2C)cc1)C(C)C ZINC000030675956 563943476 /nfs/dbraw/zinc/94/34/76/563943476.db2.gz MUEAPGHONPAOTN-UHFFFAOYSA-N 0 0 317.458 4.247 50 0 DIAARN Cc1ccc(NC(=O)COc2c(C)cccc2C)c2cccnc12 ZINC000031094245 563944220 /nfs/dbraw/zinc/94/42/20/563944220.db2.gz ZRXOQCREZCBRBL-UHFFFAOYSA-N 0 0 320.392 4.178 50 0 DIAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc2ccccc2o1 ZINC000031536484 563944519 /nfs/dbraw/zinc/94/45/19/563944519.db2.gz CTPQNCQWCXKYSQ-UHFFFAOYSA-N 0 0 303.321 4.075 50 0 DIAARN Cc1ccc([C@@H](NC(=O)NCc2ccccc2F)C2CC2)cc1 ZINC000031725723 563944736 /nfs/dbraw/zinc/94/47/36/563944736.db2.gz PPZOQBFXIJXDCV-GOSISDBHSA-N 0 0 312.388 4.085 50 0 DIAARN C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000032037691 563945087 /nfs/dbraw/zinc/94/50/87/563945087.db2.gz LRQQGHWJBSMGHK-SSDOTTSWSA-N 0 0 301.745 4.171 50 0 DIAARN O=C(Oc1ccc2c(c1)onc2-c1ccc(F)cc1)c1ccco1 ZINC000032072072 563945118 /nfs/dbraw/zinc/94/51/18/563945118.db2.gz KZMLWWOEDHXNRW-UHFFFAOYSA-N 0 0 323.279 4.446 50 0 DIAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004081586 563945174 /nfs/dbraw/zinc/94/51/74/563945174.db2.gz JRNSSSJKIGAFCT-LZBJGFFQSA-N 0 0 302.458 4.125 50 0 biogenic DIAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2c1C ZINC000032277758 563945493 /nfs/dbraw/zinc/94/54/93/563945493.db2.gz MHHYEKCRCADZPY-IBGZPJMESA-N 0 0 319.408 4.157 50 0 DIAARN O[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccncc1 ZINC000004247743 563945582 /nfs/dbraw/zinc/94/55/82/563945582.db2.gz JAYZZRNUIXTTLZ-HXUWFJFHSA-N 0 0 300.361 4.312 50 0 DIAARN CC1(C)CCc2ccccc2[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000263431200 563945650 /nfs/dbraw/zinc/94/56/50/563945650.db2.gz SFCGZOAGOLORHA-HTWSVDAQSA-N 0 0 315.457 4.323 50 0 DIAARN CC1(C)CCc2ccccc2[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000263431203 563945660 /nfs/dbraw/zinc/94/56/60/563945660.db2.gz SFCGZOAGOLORHA-LEOMRAHMSA-N 0 0 315.457 4.323 50 0 DIAARN COc1ccc(C)cc1NC(=O)CNc1cc(Cl)ccc1C ZINC000007975560 563945680 /nfs/dbraw/zinc/94/56/80/563945680.db2.gz TVPYSTHWAJJYPH-UHFFFAOYSA-N 0 0 318.804 4.016 50 0 DIAARN Cc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)nc1 ZINC000032488956 563945695 /nfs/dbraw/zinc/94/56/95/563945695.db2.gz CKTHZSCZOLVNEC-UHFFFAOYSA-N 0 0 321.380 4.006 50 0 DIAARN CC(C)[C@H](NC(=O)CCOc1cccc(F)c1)c1cccs1 ZINC000032421889 563945747 /nfs/dbraw/zinc/94/57/47/563945747.db2.gz VSENUIGLSMKZHY-KRWDZBQOSA-N 0 0 321.417 4.170 50 0 DIAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc[nH]c1=S ZINC000007986762 563945938 /nfs/dbraw/zinc/94/59/38/563945938.db2.gz RLOPXIWZVRYKPR-UHFFFAOYSA-N 0 0 320.417 4.264 50 0 DIAARN O=C(Cc1c(F)cccc1Cl)NC1(c2ccccc2)CCC1 ZINC000007987971 563945976 /nfs/dbraw/zinc/94/59/76/563945976.db2.gz NSAOSWSRPBEDIB-UHFFFAOYSA-N 0 0 317.791 4.217 50 0 DIAARN O=C(NCCc1ccccc1)c1ccc(-c2ccccc2F)o1 ZINC000007987479 563945986 /nfs/dbraw/zinc/94/59/86/563945986.db2.gz WDVFZUTWOFBQRJ-UHFFFAOYSA-N 0 0 309.340 4.058 50 0 DIAARN CCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 ZINC000007996294 563946103 /nfs/dbraw/zinc/94/61/03/563946103.db2.gz SAWLVJIFLBDQQO-UHFFFAOYSA-N 0 0 317.439 4.184 50 0 DIAARN CCOc1ccccc1NCc1cc(=O)oc2cc(C)ccc12 ZINC000008024468 563946348 /nfs/dbraw/zinc/94/63/48/563946348.db2.gz MSPVEMHUICWCBQ-UHFFFAOYSA-N 0 0 309.365 4.112 50 0 DIAARN O=C(CCc1cccnc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008071437 563946416 /nfs/dbraw/zinc/94/64/16/563946416.db2.gz YSKBUHYOUMLOEQ-UHFFFAOYSA-N 0 0 318.376 4.445 50 0 DIAARN Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000008062439 563946430 /nfs/dbraw/zinc/94/64/30/563946430.db2.gz RSZDOXZZKSXFGY-HNNXBMFYSA-N 0 0 323.392 4.306 50 0 DIAARN CN(CC(=O)Nc1ccccc1F)Cc1ccc2ccccc2c1 ZINC000008127529 563946737 /nfs/dbraw/zinc/94/67/37/563946737.db2.gz TWZOWJZOQVSCIX-UHFFFAOYSA-N 0 0 322.383 4.049 50 0 DIAARN Cc1ccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc1 ZINC000008127375 563946859 /nfs/dbraw/zinc/94/68/59/563946859.db2.gz LFAHTBWFRLNBCP-UHFFFAOYSA-N 0 0 318.420 4.219 50 0 DIAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1F ZINC000008131653 563946873 /nfs/dbraw/zinc/94/68/73/563946873.db2.gz FNZBLHWCDWAEPK-LLVKDONJSA-N 0 0 314.385 4.269 50 0 DIAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(CO)c1 ZINC000008166140 563946942 /nfs/dbraw/zinc/94/69/42/563946942.db2.gz YOIWVGCCMNWINA-FNORWQNLSA-N 0 0 322.191 4.138 50 0 DIAARN CCc1ccc2c(CC(=O)Nc3cc(F)ccc3F)coc2c1 ZINC000008156398 563947013 /nfs/dbraw/zinc/94/70/13/563947013.db2.gz KGJFYEIUZGIAGT-UHFFFAOYSA-N 0 0 315.319 4.455 50 0 DIAARN C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C1CC1 ZINC000008185001 563947142 /nfs/dbraw/zinc/94/71/42/563947142.db2.gz LAMIUEUPYAZZPS-GFCCVEGCSA-N 0 0 306.365 4.023 50 0 DIAARN C[C@H](SC1CCCC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000008206880 563947230 /nfs/dbraw/zinc/94/72/30/563947230.db2.gz HGBBPNYWEGYQOH-QMMMGPOBSA-N 0 0 319.257 4.391 50 0 DIAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2[nH]1 ZINC000008265354 563947447 /nfs/dbraw/zinc/94/74/47/563947447.db2.gz FNNOGOZFKDSZLF-UHFFFAOYSA-N 0 0 321.405 4.050 50 0 DIAARN Cc1cccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 ZINC000008297474 563947499 /nfs/dbraw/zinc/94/74/99/563947499.db2.gz ORSYAGJPUDBGQT-UHFFFAOYSA-N 0 0 322.389 4.116 50 0 DIAARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008368439 563948026 /nfs/dbraw/zinc/94/80/26/563948026.db2.gz RSZBMGRLIBQOHQ-FUHWJXTLSA-N 0 0 308.425 4.130 50 0 DIAARN C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1ccc(F)cc1 ZINC000008342577 563948042 /nfs/dbraw/zinc/94/80/42/563948042.db2.gz RXHQJRWCVKNDNY-GFCCVEGCSA-N 0 0 323.396 4.436 50 0 DIAARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008368441 563948092 /nfs/dbraw/zinc/94/80/92/563948092.db2.gz RSZBMGRLIBQOHQ-WMZOPIPTSA-N 0 0 308.425 4.130 50 0 DIAARN CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccccc21 ZINC000038486573 563948295 /nfs/dbraw/zinc/94/82/95/563948295.db2.gz MTHFDFDBMBFTAQ-UHFFFAOYSA-N 0 0 322.364 4.164 50 0 DIAARN Cc1ccccc1NC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000038698809 563948742 /nfs/dbraw/zinc/94/87/42/563948742.db2.gz AJZFQNHEFWNVGR-UHFFFAOYSA-N 0 0 323.396 4.156 50 0 DIAARN Cc1ccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 ZINC000008480740 563948879 /nfs/dbraw/zinc/94/88/79/563948879.db2.gz AAKWRXPMPJUPKT-INIZCTEOSA-N 0 0 301.430 4.077 50 0 DIAARN Clc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1 ZINC000067284741 563948895 /nfs/dbraw/zinc/94/88/95/563948895.db2.gz ARLQWUYVEAKYKK-UHFFFAOYSA-N 0 0 312.804 4.040 50 0 DIAARN c1ccn(C2CCN(Cc3ncc(-c4cccs4)o3)CC2)c1 ZINC000067378636 563949264 /nfs/dbraw/zinc/94/92/64/563949264.db2.gz XHXJAMOTFYMWHW-UHFFFAOYSA-N 0 0 313.426 4.042 50 0 DIAARN Cc1ccc(NC(=O)CSc2nccn2C2CCCC2)cc1 ZINC000008602121 563949462 /nfs/dbraw/zinc/94/94/62/563949462.db2.gz QLLKGYJODJFFHU-UHFFFAOYSA-N 0 0 315.442 4.037 50 0 DIAARN CCN(C(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1C ZINC000067659063 563949517 /nfs/dbraw/zinc/94/95/17/563949517.db2.gz GMHDKUVNILZJSK-UHFFFAOYSA-N 0 0 317.392 4.119 50 0 DIAARN C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000008719009 563950110 /nfs/dbraw/zinc/95/01/10/563950110.db2.gz MCFCZMBDHIDVMU-GFCCVEGCSA-N 0 0 318.804 4.188 50 0 DIAARN CC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(OC)cc1 ZINC000008735123 563950399 /nfs/dbraw/zinc/95/03/99/563950399.db2.gz WXTJBYMIJNATDD-KRWDZBQOSA-N 0 0 320.392 4.125 50 0 DIAARN O=C(Cc1csc(-c2ccsc2)n1)NCC1CCCCC1 ZINC000008769110 563950753 /nfs/dbraw/zinc/95/07/53/563950753.db2.gz FVBRRQZTWICFTD-UHFFFAOYSA-N 0 0 320.483 4.111 50 0 DIAARN CCc1ccsc1C(=O)Nc1ccc(NC(C)=O)cc1Cl ZINC000067945109 563950773 /nfs/dbraw/zinc/95/07/73/563950773.db2.gz DAAYNRCJXVDZHS-UHFFFAOYSA-N 0 0 322.817 4.175 50 0 DIAARN CC(=O)N[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C ZINC000008778463 563950819 /nfs/dbraw/zinc/95/08/19/563950819.db2.gz RVQBLSZHIHUVCZ-KRWDZBQOSA-N 0 0 318.461 4.033 50 0 DIAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000008780351 563950846 /nfs/dbraw/zinc/95/08/46/563950846.db2.gz UVJLBTAXJYUWDP-LBPRGKRZSA-N 0 0 318.804 4.178 50 0 DIAARN O=C(Nc1cccc(Cl)c1Cl)c1cnc2ccccc2n1 ZINC000008849716 563950993 /nfs/dbraw/zinc/95/09/93/563950993.db2.gz RALICJQWGZJSFO-UHFFFAOYSA-N 0 0 318.163 4.189 50 0 DIAARN O=C(c1cnc(-c2ccco2)s1)N1CC2(CC2)c2ccccc21 ZINC000172432045 563951177 /nfs/dbraw/zinc/95/11/77/563951177.db2.gz ZRBMXQMJXYLEQV-UHFFFAOYSA-N 0 0 322.389 4.095 50 0 DIAARN O=C(c1cc2c(cccc2F)s1)N1CCOc2ccccc21 ZINC000040090302 563951471 /nfs/dbraw/zinc/95/14/71/563951471.db2.gz PUJGZNVIEFIFPN-UHFFFAOYSA-N 0 0 313.353 4.080 50 0 DIAARN 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