smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(-c2n[nH]cc2-c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000000027354 560176897 /nfs/dbraw/zinc/17/68/97/560176897.db2.gz MQERCRUBCCKCNG-UHFFFAOYSA-N 0 0 324.252 5.041 1 0 in-vitro DKAFRN Cc1csc2sc(C(=O)c3ccc(Cl)cc3)c(C)c12 ZINC000000126071 180700966 /nfs/dbraw/zinc/70/09/66/180700966.db2.gz ZIPXQZFAYXSTRC-UHFFFAOYSA-N 0 0 306.839 5.464 1 0 DKAFRN CC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)C)c1O ZINC000001542215 180872855 /nfs/dbraw/zinc/87/28/55/180872855.db2.gz LMLDPXXCYIXDSG-MDZDMXLPSA-N 0 0 309.453 5.553 1 0 DKAFRN CC1(C)Nc2ccc(-c3cccc(Cl)c3)cc2C(C)(C)O1 ZINC000001549657 180872407 /nfs/dbraw/zinc/87/24/07/180872407.db2.gz UOSQTHOCALGTIP-UHFFFAOYSA-N 0 0 301.817 5.420 1 0 DKAFRN CCCCC1=CSC(c2ccccc2)=C(c2ccccc2)S1 ZINC000001617173 180879658 /nfs/dbraw/zinc/87/96/58/180879658.db2.gz AGELAKVYFZHFTN-UHFFFAOYSA-N 0 0 324.514 7.024 1 0 DKAFRN CC[C@]1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O ZINC000001638076 180882014 /nfs/dbraw/zinc/88/20/14/180882014.db2.gz RRYRKNNNMOVSRI-HXUWFJFHSA-N 0 0 319.429 5.071 1 0 DKAFRN c1ccc(COc2ccc(CC3SCCCS3)cc2)cc1 ZINC000001643421 180882868 /nfs/dbraw/zinc/88/28/68/180882868.db2.gz PQENHLGBQQLYJZ-UHFFFAOYSA-N 0 0 316.491 5.004 1 0 DKAFRN CCCc1[nH]c2ccccc2c1-c1c2ccccc2[nH]c1CCC ZINC000001653517 180884029 /nfs/dbraw/zinc/88/40/29/180884029.db2.gz DQPQLUBLJYSDMS-UHFFFAOYSA-N 0 0 316.448 6.221 1 0 DKAFRN OC[C@@H]1CCCCCCCCCCC12SCCCS2 ZINC000001854977 180899143 /nfs/dbraw/zinc/89/91/43/180899143.db2.gz RGADCAJAGVIHLP-HNNXBMFYSA-N 0 0 302.549 5.076 1 0 DKAFRN Cn1c(-c2cccs2)cc(-c2ccccc2)c1-c1cccs1 ZINC000001861871 180899792 /nfs/dbraw/zinc/89/97/92/180899792.db2.gz MNWIRETYJBMPHC-UHFFFAOYSA-N 0 0 321.470 6.149 1 0 DKAFRN CCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CCS2 ZINC000001896515 581097180 /nfs/dbraw/zinc/09/71/80/581097180.db2.gz UUUXOINBGSTWMN-UHFFFAOYSA-N 0 0 318.526 6.130 1 0 DKAFRN Cc1cc(CCCOc2c(C)cc(-c3ccccc3)cc2C)on1 ZINC000003590536 181038053 /nfs/dbraw/zinc/03/80/53/181038053.db2.gz AZIPAVAEKCTJBC-UHFFFAOYSA-N 0 0 321.420 5.278 1 0 DKAFRN Clc1ccc(-c2nsc(-c3ccc(Cl)cc3)n2)cc1 ZINC000003642419 181043540 /nfs/dbraw/zinc/04/35/40/181043540.db2.gz SQUYZYUNOGVBCT-UHFFFAOYSA-N 0 0 307.205 5.179 1 0 DKAFRN Clc1ccccc1-c1nsc(-c2ccccc2Cl)n1 ZINC000003643446 181043604 /nfs/dbraw/zinc/04/36/04/181043604.db2.gz YZJMJRZUCJHBTC-UHFFFAOYSA-N 0 0 307.205 5.179 1 0 DKAFRN CC[C@@H](C)c1c(=O)[nH]c2ccc(Cl)cc2c1OC1CCCC1 ZINC000003648763 181043410 /nfs/dbraw/zinc/04/34/10/181043410.db2.gz KNVUQLXNBQMORU-LLVKDONJSA-N 0 0 319.832 5.016 1 0 DKAFRN CC[C@H](C)c1c(=O)[nH]c2ccc(Cl)cc2c1OC1CCCC1 ZINC000003648765 181043343 /nfs/dbraw/zinc/04/33/43/181043343.db2.gz KNVUQLXNBQMORU-NSHDSACASA-N 0 0 319.832 5.016 1 0 DKAFRN CSc1ccc(-c2c(-c3ccccc3)nc3sccn32)cc1 ZINC000003814814 181047282 /nfs/dbraw/zinc/04/72/82/181047282.db2.gz SOKZUMXDTXODPI-UHFFFAOYSA-N 0 0 322.458 5.452 1 0 DKAFRN C[C@H](Nc1ncnc2c3ccccc3sc21)c1ccccc1 ZINC000003815356 181047066 /nfs/dbraw/zinc/04/70/66/181047066.db2.gz WXXYNGFRGPWDFC-LBPRGKRZSA-N 0 0 305.406 5.018 1 0 DKAFRN O=C(Nc1ccc2ncccc2c1)c1ccc(-c2ccccc2)cc1 ZINC000003816931 181046982 /nfs/dbraw/zinc/04/69/82/181046982.db2.gz ILRKCGZKHPZTBG-UHFFFAOYSA-N 0 0 324.383 5.154 1 0 DKAFRN Clc1ccccc1Nc1ccc2c(c1)[nH]nc2-c1ccccc1 ZINC000003816998 181047337 /nfs/dbraw/zinc/04/73/37/181047337.db2.gz DFRPRNRPOSSJQZ-UHFFFAOYSA-N 0 0 319.795 5.627 1 0 DKAFRN CC(C)(Cl)CC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2(C)C ZINC000003824838 181046731 /nfs/dbraw/zinc/04/67/31/181046731.db2.gz NPNBSWGEGKXDPD-UHFFFAOYSA-N 0 0 322.876 5.244 1 0 DKAFRN CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1OCC2(C)C ZINC000003824839 581094987 /nfs/dbraw/zinc/09/49/87/581094987.db2.gz DAEKZKUAFVMFKP-UHFFFAOYSA-N 0 0 314.469 5.417 1 0 DKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](C)Oc1ccc(F)cc1-3 ZINC000003831986 181047601 /nfs/dbraw/zinc/04/76/01/181047601.db2.gz UAXYYPCBGHLJKQ-LBPRGKRZSA-N 0 0 309.384 5.554 1 0 DKAFRN Fc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 ZINC000003832053 181047666 /nfs/dbraw/zinc/04/76/66/181047666.db2.gz HECGYLJLTJNLNO-UHFFFAOYSA-N 0 0 314.363 5.550 1 0 DKAFRN Fc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 ZINC000003832057 181047730 /nfs/dbraw/zinc/04/77/30/181047730.db2.gz PCKHVSFIAUCJDO-UHFFFAOYSA-N 0 0 314.363 5.550 1 0 DKAFRN Fc1ccccc1-c1cc(-c2ccncc2)c(-c2ccccc2)[nH]1 ZINC000003832072 181047567 /nfs/dbraw/zinc/04/75/67/181047567.db2.gz LCGDEQAHPOXNRB-UHFFFAOYSA-N 0 0 314.363 5.550 1 0 DKAFRN Fc1cccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)c1 ZINC000003832075 181047603 /nfs/dbraw/zinc/04/76/03/181047603.db2.gz CSPWYQCJGVUWAJ-UHFFFAOYSA-N 0 0 314.363 5.550 1 0 DKAFRN CN1Cc2ccccc2[C@@H](c2ccccc2Cl)c2ccccc21 ZINC000003940249 181058125 /nfs/dbraw/zinc/05/81/25/181058125.db2.gz MPZRHCCMEAYJJU-NRFANRHFSA-N 0 0 319.835 5.470 1 0 DKAFRN C[C@H]1Cc2c(c(-c3ccccc3)[nH]c2-c2ccccc2)C[C@@H]1C ZINC000003941123 181058046 /nfs/dbraw/zinc/05/80/46/181058046.db2.gz PEIGDJODVZVECV-HOTGVXAUSA-N 0 0 301.433 5.720 1 0 DKAFRN CCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CCO2 ZINC000003979056 181059381 /nfs/dbraw/zinc/05/93/81/181059381.db2.gz HVYBUZHWBDDVSO-UHFFFAOYSA-N 0 0 302.458 5.417 1 0 DKAFRN C[C@@H](Cc1ccc(O)cc1)[C@H]1CC[C@@H](C)[C@@H](c2ccc(O)cc2)C1 ZINC000004759157 181149255 /nfs/dbraw/zinc/14/92/55/181149255.db2.gz FOCBRSKUUQCFGB-VFIVLBOOSA-N 0 0 324.464 5.496 1 0 DKAFRN C[C@@H](Cc1ccc(O)cc1)[C@H]1CC[C@H](C)[C@@H](c2ccc(O)cc2)C1 ZINC000004759158 181148854 /nfs/dbraw/zinc/14/88/54/181148854.db2.gz FOCBRSKUUQCFGB-ZLFOXAAKSA-N 0 0 324.464 5.496 1 0 DKAFRN C[C@@H](Cc1ccc(O)cc1)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(O)cc2)C1 ZINC000004759159 181148887 /nfs/dbraw/zinc/14/88/87/181148887.db2.gz FOCBRSKUUQCFGB-LQLPYNBSSA-N 0 0 324.464 5.496 1 0 DKAFRN C[C@@H](Cc1ccc(O)cc1)[C@@H]1CC[C@H](C)[C@@H](c2ccc(O)cc2)C1 ZINC000004759160 181149141 /nfs/dbraw/zinc/14/91/41/181149141.db2.gz FOCBRSKUUQCFGB-RZJBWQBDSA-N 0 0 324.464 5.496 1 0 DKAFRN Fc1cccc(F)c1-c1csc(Nc2ccc(Cl)cc2)n1 ZINC000005109767 181204296 /nfs/dbraw/zinc/20/42/96/181204296.db2.gz HCIZHAPJEROEHE-UHFFFAOYSA-N 0 0 322.767 5.485 1 0 DKAFRN COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1CC=C(C)C ZINC000005158950 181211930 /nfs/dbraw/zinc/21/19/30/181211930.db2.gz MRJQFSZVXAESPR-UHFFFAOYSA-N 0 0 324.376 5.028 1 0 endogenous,in-man DKAFRN COc1ccc(-c2nc3c([nH]2)c(C(C)C)cc2ccccc32)cc1 ZINC000005424111 560201941 /nfs/dbraw/zinc/20/19/41/560201941.db2.gz ZFRQMIPKEPUCBX-UHFFFAOYSA-N 0 0 316.404 5.515 1 0 in-vitro DKAFRN CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)C=COC=C(C)[C@H]2[C@@H]1O ZINC000005497676 181250134 /nfs/dbraw/zinc/25/01/34/181250134.db2.gz HFYSUZOICYWQHK-ZKIDJSGLSA-N 0 0 304.474 5.210 1 0 DKAFRN CC[C@@]1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O ZINC000005499973 181250782 /nfs/dbraw/zinc/25/07/82/181250782.db2.gz RRYRKNNNMOVSRI-FQEVSTJZSA-N 0 0 319.429 5.071 1 0 DKAFRN CCCCCc1cc(O)c2c(c1)O[C@@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C ZINC000005513523 181251767 /nfs/dbraw/zinc/25/17/67/181251767.db2.gz IGHTZQUIFGUJTG-HUMBJQDLSA-N 0 0 314.469 5.426 1 0 DKAFRN CCC/C=C/C/C=C/CCCCCCCc1cccc(O)c1 ZINC000005523221 571689356 /nfs/dbraw/zinc/68/93/56/571689356.db2.gz FAYVLNWNMNHXGA-AOSYACOCSA-N 0 0 300.486 6.578 1 0 endogenous,in-man DKAFRN Clc1cc(Cl)cc([C@@H]2SCc3nc4ccccc4n32)c1 ZINC000005545931 181255366 /nfs/dbraw/zinc/25/53/66/181255366.db2.gz AHXUUJOITLLYDA-HNNXBMFYSA-N 0 0 321.232 5.137 1 0 DKAFRN OC[C@H]1CCCCCCCCCCC12SCCCS2 ZINC000005566841 181257726 /nfs/dbraw/zinc/25/77/26/181257726.db2.gz RGADCAJAGVIHLP-OAHLLOKOSA-N 0 0 302.549 5.076 1 0 DKAFRN Cn1c([C@@H]2CCCc3c2c2ccccc2n3C)cc2ccccc21 ZINC000005580141 181259945 /nfs/dbraw/zinc/25/99/45/181259945.db2.gz KYLCCIGFJWPEHU-KRWDZBQOSA-N 0 0 314.432 5.138 1 0 DKAFRN Fc1ccccc1[C@@H]1SCc2nc3cc4ccccc4cc3n21 ZINC000005580501 181259817 /nfs/dbraw/zinc/25/98/17/181259817.db2.gz CXGVQVQQIKIQAC-IBGZPJMESA-N 0 0 320.392 5.122 1 0 DKAFRN Fc1cccc([C@@H]2SCc3nc4cc5ccccc5cc4n32)c1 ZINC000005580553 181259738 /nfs/dbraw/zinc/25/97/38/181259738.db2.gz XFCJWFQELKDFGS-IBGZPJMESA-N 0 0 320.392 5.122 1 0 DKAFRN Cc1cccc(Nc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000005589666 181261232 /nfs/dbraw/zinc/26/12/32/181261232.db2.gz BBMRDCBMRNUOKY-UHFFFAOYSA-N 0 0 311.388 5.349 1 0 DKAFRN C[C@@H]1C[C@]2(C)C(=S)Nc3ccccc3[C@@H]2Nc2ccccc21 ZINC000005741553 181279501 /nfs/dbraw/zinc/27/95/01/181279501.db2.gz GIOXOKCOEIYGEN-LWLIDHTLSA-N 0 0 308.450 5.106 1 0 DKAFRN C[C@H]1C[C@]2(C)C(=S)Nc3ccccc3[C@@H]2Nc2ccccc21 ZINC000005741556 181279113 /nfs/dbraw/zinc/27/91/13/181279113.db2.gz GIOXOKCOEIYGEN-KHDYIWLOSA-N 0 0 308.450 5.106 1 0 DKAFRN CC(C)CCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000005758066 560202813 /nfs/dbraw/zinc/20/28/13/560202813.db2.gz AYZBMIJCGJIGNK-UHFFFAOYSA-N 0 0 320.517 6.587 1 0 in-vitro DKAFRN O=NC1c2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O ZINC000005770835 181282104 /nfs/dbraw/zinc/28/21/04/181282104.db2.gz RZBLUDCBHZNVQF-UHFFFAOYSA-N 0 0 321.163 5.100 1 0 DKAFRN Fc1cc(-c2cc(-c3ccccc3)n[nH]2)c(Cl)cc1Cl ZINC000005800985 181285105 /nfs/dbraw/zinc/28/51/05/181285105.db2.gz CXBOFRUFCSVWMB-UHFFFAOYSA-N 0 0 307.155 5.190 1 0 DKAFRN COC(=O)N1C=Cc2c(C)c3[nH]c4ccccc4c3c(C)c2[C@H]1C ZINC000005810692 181285611 /nfs/dbraw/zinc/28/56/11/181285611.db2.gz ACLHFPGAOVTLOA-CYBMUJFWSA-N 0 0 320.392 5.052 1 0 DKAFRN CCCC/C=C/CCCCCCCc1cc(O)c(C)c(O)c1 ZINC000005819782 290941495 /nfs/dbraw/zinc/94/14/95/290941495.db2.gz AAFWHAONVYRTMW-VOTSOKGWSA-N 0 0 304.474 6.036 1 0 biogenic,in-vitro DKAFRN CCCCO[P@@](=O)(SCC)SCc1ccccc1 ZINC000005821552 181286709 /nfs/dbraw/zinc/28/67/09/181286709.db2.gz WRIYPTGFYKBSFU-INIZCTEOSA-N 0 0 304.417 5.598 1 0 in-man DKAFRN CCCCO[P@](=O)(SCC)SCc1ccccc1 ZINC000005821560 181286908 /nfs/dbraw/zinc/28/69/08/181286908.db2.gz WRIYPTGFYKBSFU-MRXNPFEDSA-N 0 0 304.417 5.598 1 0 in-man DKAFRN CCCCc1cc(OC)c2c(C)cc(C)c(C)c2c1OC(C)=O ZINC000005831921 181287650 /nfs/dbraw/zinc/28/76/50/181287650.db2.gz HLFSRZQHRJPAAC-UHFFFAOYSA-N 0 0 314.425 5.042 1 0 DKAFRN CC1(C)[C@H]2C[C@@H]1[C@@](C)(/C=C/CCSc1ccccc1)CC2=O ZINC000005842166 181288652 /nfs/dbraw/zinc/28/86/52/181288652.db2.gz HADBQWULFRJYEL-RUHLXCAISA-N 0 0 314.494 5.366 1 0 DKAFRN S=c1sc2c(s1)S[C@H](c1ccccc1)CS2 ZINC000005883199 181293151 /nfs/dbraw/zinc/29/31/51/181293151.db2.gz KAZNFIJVLOEIFR-QMMMGPOBSA-N 0 0 300.520 5.478 1 0 DKAFRN CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c4ocnc4c(C)c1c32 ZINC000005923686 181296654 /nfs/dbraw/zinc/29/66/54/181296654.db2.gz HTRVXIUUWGLCAT-DARAHFNDSA-N 0 0 309.453 6.207 1 0 DKAFRN Cc1cc(C2CCCCC2)nc2c1cccc2C1CCCCC1 ZINC000005930804 181297403 /nfs/dbraw/zinc/29/74/03/181297403.db2.gz SFQWYDOIDCFGQN-UHFFFAOYSA-N 0 0 307.481 6.639 1 0 DKAFRN CC(C)c1c(O)ccc2c1C(=O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000005963319 181301471 /nfs/dbraw/zinc/30/14/71/181301471.db2.gz AYKJSPZJUSBRBO-OXJNMPFZSA-N 0 0 300.442 5.186 1 0 DKAFRN CC(C)c1c(O)ccc2c1[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000005963334 181301613 /nfs/dbraw/zinc/30/16/13/181301613.db2.gz KTESLAVYKYMODC-TWOQFEAHSA-N 0 0 302.458 5.037 1 0 DKAFRN CC(C)c1cc(Sc2ccc(O)c(C(C)C)c2)ccc1O ZINC000005963381 181301250 /nfs/dbraw/zinc/30/12/50/181301250.db2.gz NEMLLZAROZVCCE-UHFFFAOYSA-N 0 0 302.439 5.496 1 0 in-vivo DKAFRN COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000005963390 181301400 /nfs/dbraw/zinc/30/14/00/181301400.db2.gz MFLORYHKYXIQMH-PZJWPPBQSA-N 0 0 300.486 5.849 1 0 DKAFRN COc1c2occc2c(O)c(-c2ccccc2)c1-c1ccccc1 ZINC000005998582 181304415 /nfs/dbraw/zinc/30/44/15/181304415.db2.gz OIMNNTAJKKFDMC-UHFFFAOYSA-N 0 0 316.356 5.481 1 0 DKAFRN CC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036038 181306905 /nfs/dbraw/zinc/30/69/05/181306905.db2.gz COSKITFSCAETCX-BIBIXIOVSA-N 0 0 316.529 5.582 1 0 DKAFRN CNc1nc([C@H](C)c2ccc(-c3ccccc3)c(F)c2)cs1 ZINC000006037087 181307071 /nfs/dbraw/zinc/30/70/71/181307071.db2.gz ZTFDMDJGJVUYQE-GFCCVEGCSA-N 0 0 312.413 5.143 1 0 DKAFRN Fc1ccc(Oc2ccnc3c(Cl)cccc23)c(Cl)c1 ZINC000006094311 181311877 /nfs/dbraw/zinc/31/18/77/181311877.db2.gz ZXLMSTBJMZJAAH-UHFFFAOYSA-N 0 0 308.139 5.473 1 0 investigational DKAFRN C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]23Oc2ccc(O)cc2C[C@]13C ZINC000006481177 181344200 /nfs/dbraw/zinc/34/42/00/181344200.db2.gz UYLGYRGJFUJKFM-XVPDYNCKSA-N 0 0 314.469 5.328 1 0 DKAFRN C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(O)cc2C[C@]13C ZINC000006481246 181344346 /nfs/dbraw/zinc/34/43/46/181344346.db2.gz UYLGYRGJFUJKFM-PXNLJIHASA-N 0 0 314.469 5.328 1 0 DKAFRN Cc1cc(O)c(C(C)C)cc1C(=S)Nc1ccc(Cl)cc1 ZINC000006521590 181348899 /nfs/dbraw/zinc/34/88/99/181348899.db2.gz XOKYRVIVUVAFGK-UHFFFAOYSA-N 0 0 319.857 5.265 1 0 DKAFRN CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c3ocnc3c(C)cc21 ZINC000006522173 181348833 /nfs/dbraw/zinc/34/88/33/181348833.db2.gz HXPRVILAXUEVFC-YQQAZPJKSA-N 0 0 311.469 6.500 1 0 DKAFRN Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1c[nH]c3ccccc31)N2 ZINC000006583739 181357118 /nfs/dbraw/zinc/35/71/18/181357118.db2.gz YAKHACPTOIOVQC-AGRHKRQWSA-N 0 0 324.811 5.066 1 0 DKAFRN Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000006583748 181357325 /nfs/dbraw/zinc/35/73/25/181357325.db2.gz YAKHACPTOIOVQC-BKTGTZMESA-N 0 0 324.811 5.066 1 0 DKAFRN S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccs1 ZINC000006583906 181357001 /nfs/dbraw/zinc/35/70/01/181357001.db2.gz GZQQAKFFXBGHQA-UHFFFAOYSA-N 0 0 309.415 5.435 1 0 DKAFRN Clc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1 ZINC000006584502 181357270 /nfs/dbraw/zinc/35/72/70/181357270.db2.gz JSHGSMJLIWPONH-UHFFFAOYSA-N 0 0 321.232 5.229 1 0 DKAFRN c1csc(-c2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000006710049 181375755 /nfs/dbraw/zinc/37/57/55/181375755.db2.gz IELJCFNWBRXBQF-UHFFFAOYSA-N 0 0 303.390 5.102 1 0 DKAFRN CC1=C(C)C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2O)C1 ZINC000007992264 181516455 /nfs/dbraw/zinc/51/64/55/181516455.db2.gz ZXTUYMPZGDVKCD-RTBURBONSA-N 0 0 306.405 5.105 1 0 DKAFRN Fc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 ZINC000008536521 581098447 /nfs/dbraw/zinc/09/84/47/581098447.db2.gz VPVLUCZRDCBSCN-UHFFFAOYSA-N 0 0 321.399 5.326 1 0 DKAFRN CC(C)(C)Nc1oc(-c2ccccc2)nc1-c1ccccc1F ZINC000008860593 181588266 /nfs/dbraw/zinc/58/82/66/181588266.db2.gz PBALAVHFJRZRFP-UHFFFAOYSA-N 0 0 310.372 5.358 1 0 DKAFRN CC(C)=CCC/C(C)=C\CC/C(=C\CC/C(C)=C\CO)CO ZINC000011616544 560211306 /nfs/dbraw/zinc/21/13/06/560211306.db2.gz SUWYPNNPLSRNPS-IDLUJMRCSA-N 0 0 306.490 5.097 1 0 in-vitro DKAFRN CC(C)=CCC/C(C)=C\CC/C(=C/CC/C(C)=C\CO)CO ZINC000011616546 560211342 /nfs/dbraw/zinc/21/13/42/560211342.db2.gz SUWYPNNPLSRNPS-QNYXFLBSSA-N 0 0 306.490 5.097 1 0 in-vitro DKAFRN Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)cc2)cc1 ZINC000012403173 181757205 /nfs/dbraw/zinc/75/72/05/181757205.db2.gz JBXHOLXTKQJDPG-KQQUZDAGSA-N 0 0 314.384 5.439 1 0 DKAFRN C(=C/c1ccnc2ccccc12)\c1cc2c3c(c1)CC=CN3CC=C2 ZINC000012941673 563375051 /nfs/dbraw/zinc/37/50/51/563375051.db2.gz RZFDWFVUHPVRGD-MDZDMXLPSA-N 0 0 322.411 5.308 1 0 DKAFRN C[C@@H]1S[C@H](c2c(F)cccc2Cl)n2c3ccccc3nc21 ZINC000013216359 181837815 /nfs/dbraw/zinc/83/78/15/181837815.db2.gz ANWLALHSVVQOAU-XXFAHNHDSA-N 0 0 318.804 5.184 1 0 DKAFRN COc1c(O)c2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C ZINC000013301952 560213868 /nfs/dbraw/zinc/21/38/68/560213868.db2.gz QSVFHUPTMSJXTL-KKSFZXQISA-N 0 0 314.469 5.635 1 0 biogenic,in-vitro DKAFRN CCCC[C@@H](C)CCC[C@@H](C)CCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000013351753 560214856 /nfs/dbraw/zinc/21/48/56/560214856.db2.gz XUEGBDYRUYWZMY-SQNIBIBYSA-N 0 0 313.526 5.372 1 0 in-vitro DKAFRN CCCC[C@H](C)CCC[C@@H](C)CCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000013351757 560214862 /nfs/dbraw/zinc/21/48/62/560214862.db2.gz XUEGBDYRUYWZMY-BZSNNMDCSA-N 0 0 313.526 5.372 1 0 in-vitro DKAFRN CCCC[C@@H](C)CCC[C@H](C)CCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000013351761 560214864 /nfs/dbraw/zinc/21/48/64/560214864.db2.gz XUEGBDYRUYWZMY-KURKYZTESA-N 0 0 313.526 5.372 1 0 in-vitro DKAFRN CCCC[C@H](C)CCC[C@H](C)CCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000013351766 560214813 /nfs/dbraw/zinc/21/48/13/560214813.db2.gz XUEGBDYRUYWZMY-KSZLIROESA-N 0 0 313.526 5.372 1 0 in-vitro DKAFRN CC1=C2CC/C(C)=C\CC/C(C)=C\CC/C(C)=C/[C@@H]2OC1=O ZINC000013384702 181847474 /nfs/dbraw/zinc/84/74/74/181847474.db2.gz ZFHCMDPHJINNOE-CMSIEFJCSA-N 0 0 300.442 5.421 1 0 DKAFRN Cc1ccccc1N1CCc2c1c1cccc(C)c1nc2Cl ZINC000013454961 181851828 /nfs/dbraw/zinc/85/18/28/181851828.db2.gz UMSFRNYBNXEUCY-UHFFFAOYSA-N 0 0 308.812 5.199 1 0 DKAFRN Cc1ccccc1N1CCc2c1nc1c(C)cccc1c2Cl ZINC000013454995 181852400 /nfs/dbraw/zinc/85/24/00/181852400.db2.gz WRTGBIQQOBIKPF-UHFFFAOYSA-N 0 0 308.812 5.199 1 0 DKAFRN S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCC2 ZINC000013488894 581101664 /nfs/dbraw/zinc/10/16/64/581101664.db2.gz MKIGJOKMZUSJGM-UHFFFAOYSA-N 0 0 313.853 5.572 1 0 DKAFRN CCC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 ZINC000013489978 181855645 /nfs/dbraw/zinc/85/56/45/181855645.db2.gz IZCPYZKASNDPHY-UHFFFAOYSA-N 0 0 301.748 5.016 1 0 DKAFRN Cc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cocn1 ZINC000013490416 181855558 /nfs/dbraw/zinc/85/55/58/181855558.db2.gz JTGIYAVSHXWALX-UHFFFAOYSA-N 0 0 317.348 5.049 1 0 DKAFRN C=C1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013490424 181855445 /nfs/dbraw/zinc/85/54/45/181855445.db2.gz JSBQQOOLRVTWCM-UHFFFAOYSA-N 0 0 307.368 5.463 1 0 DKAFRN C[C@@H]1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3 ZINC000013490457 581097743 /nfs/dbraw/zinc/09/77/43/581097743.db2.gz QWPDENUMNMUTHR-SNVBAGLBSA-N 0 0 315.363 5.222 1 0 DKAFRN C[C@H]1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3 ZINC000013490458 181855419 /nfs/dbraw/zinc/85/54/19/181855419.db2.gz QWPDENUMNMUTHR-JTQLQIEISA-N 0 0 315.363 5.222 1 0 DKAFRN Oc1ccc(C(c2ccc(O)cc2)=C2C3CCCC2CCC3)cc1 ZINC000013517894 560218321 /nfs/dbraw/zinc/21/83/21/560218321.db2.gz HKDFNAQPYYZDPP-UHFFFAOYSA-N 0 0 320.432 5.500 1 0 in-vitro DKAFRN CSc1sc(-c2ccccc2)c2c1C(=O)CC(C)(C)C2 ZINC000013520421 181857801 /nfs/dbraw/zinc/85/78/01/181857801.db2.gz UTAFYYODHNXNBD-UHFFFAOYSA-N 0 0 302.464 5.292 1 0 DKAFRN CCCC[C@H]1c2cc(O)ccc2C(CC)=C1c1ccc(O)cc1 ZINC000013555424 181861130 /nfs/dbraw/zinc/86/11/30/181861130.db2.gz WJXKUOXQBINDTR-IBGZPJMESA-N 0 0 308.421 5.706 1 0 DKAFRN CCCC[C@@H]1c2cc(O)ccc2C(CC)=C1c1ccc(O)cc1 ZINC000013555430 181861492 /nfs/dbraw/zinc/86/14/92/181861492.db2.gz WJXKUOXQBINDTR-LJQANCHMSA-N 0 0 308.421 5.706 1 0 DKAFRN CC(C)n1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21 ZINC000013586340 181865528 /nfs/dbraw/zinc/86/55/28/181865528.db2.gz GOVUQMINVPOQRS-UHFFFAOYSA-N 0 0 320.314 5.009 1 0 DKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)c1ccccc1 ZINC000013600122 181867142 /nfs/dbraw/zinc/86/71/42/181867142.db2.gz HMYWKXTYKRCPFQ-UHFFFAOYSA-N 0 0 323.436 5.145 1 0 DKAFRN CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1 ZINC000013607305 181868202 /nfs/dbraw/zinc/86/82/02/181868202.db2.gz DQKYFUQALKVCHH-VOTSOKGWSA-N 0 0 312.409 5.053 1 0 DKAFRN CCCCOc1ccc(/C=C\c2cc(OC)cc(OC)c2)cc1 ZINC000013607319 181868486 /nfs/dbraw/zinc/86/84/86/181868486.db2.gz DQKYFUQALKVCHH-SREVYHEPSA-N 0 0 312.409 5.053 1 0 DKAFRN Oc1ccc(-c2ccc3c(ccc(O)c3-c3ccccc3)c2)cc1 ZINC000013645021 181872227 /nfs/dbraw/zinc/87/22/27/181872227.db2.gz INNGVLJQICTRAF-UHFFFAOYSA-N 0 0 312.368 5.585 1 0 in-vivo DKAFRN CCCc1ccc([C@H]2c3c(c(C)c(C)c(N)c3C)OC2(C)C)cc1 ZINC000013652134 181874482 /nfs/dbraw/zinc/87/44/82/181874482.db2.gz FHHQKODTTRIOKB-IBGZPJMESA-N 0 0 323.480 5.449 1 0 DKAFRN CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c(O)c1 ZINC000013681074 181878366 /nfs/dbraw/zinc/87/83/66/181878366.db2.gz PCXRACLQFPRCBB-ZWKOTPCHSA-N 0 0 316.485 5.926 1 0 DKAFRN CO[C@@H]1CCc2ccc(OCc3ccc4ccccc4c3)cc21 ZINC000013733418 181885892 /nfs/dbraw/zinc/88/58/92/181885892.db2.gz NOIMGYIQUGMMEX-OAQYLSRUSA-N 0 0 304.389 5.053 1 0 DKAFRN CO[C@H]1CCc2ccc(OCc3ccc4ccccc4c3)cc21 ZINC000013733421 181886080 /nfs/dbraw/zinc/88/60/80/181886080.db2.gz NOIMGYIQUGMMEX-NRFANRHFSA-N 0 0 304.389 5.053 1 0 DKAFRN CN(c1ccccc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000013743188 181887806 /nfs/dbraw/zinc/88/78/06/181887806.db2.gz YKNPNQJIOWPXNY-UHFFFAOYSA-N 0 0 311.388 5.065 1 0 DKAFRN c1ccc(CNc2nc(C3CCCCC3)nc3ccccc32)cc1 ZINC000013743198 181888557 /nfs/dbraw/zinc/88/85/57/181888557.db2.gz OUTYHQZODRJVIL-UHFFFAOYSA-N 0 0 317.436 5.290 1 0 DKAFRN CCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 ZINC000013756286 181891037 /nfs/dbraw/zinc/89/10/37/181891037.db2.gz FACSJNDEAKXXDF-XTMJBTMZSA-N 0 0 314.513 5.935 1 0 DKAFRN CCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CCN2C ZINC000013779225 581097058 /nfs/dbraw/zinc/09/70/58/581097058.db2.gz VVYDUAYNVQZALE-UHFFFAOYSA-N 0 0 315.501 5.475 1 0 DKAFRN c1cc2nc(CC3CCCC3)nc(NCc3ccccc3)c2s1 ZINC000013781378 181895576 /nfs/dbraw/zinc/89/55/76/181895576.db2.gz YCEREBUFXGBUFZ-UHFFFAOYSA-N 0 0 323.465 5.036 1 0 DKAFRN CCSc1nnc(-c2cc(C(C)C)c(O)c(C(C)C)c2)s1 ZINC000013796304 181898318 /nfs/dbraw/zinc/89/83/18/181898318.db2.gz WKHFKMPKSNNFBK-UHFFFAOYSA-N 0 0 322.499 5.270 1 0 DKAFRN CCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000013813987 181900833 /nfs/dbraw/zinc/90/08/33/181900833.db2.gz WIRGEKDFDJEPRE-UHFFFAOYSA-N 0 0 324.464 6.073 1 0 DKAFRN Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1 ZINC000013819994 581093063 /nfs/dbraw/zinc/09/30/63/581093063.db2.gz ATCDQXHPIGQADP-CMDGGOBGSA-N 0 0 313.441 5.454 1 0 DKAFRN C[C@@H]1Cc2c(c(-c3ccccc3)[nH]c2-c2ccccc2)C[C@@H]1C ZINC000013835375 181904940 /nfs/dbraw/zinc/90/49/40/181904940.db2.gz PEIGDJODVZVECV-IYBDPMFKSA-N 0 0 301.433 5.720 1 0 DKAFRN Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1 ZINC000013835382 181905277 /nfs/dbraw/zinc/90/52/77/181905277.db2.gz BVZXSBMLTOYNIL-GASCZTMLSA-N 0 0 321.370 5.992 1 0 DKAFRN Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@H]2C=C[C@@H]3C2)cc1 ZINC000013835384 181904874 /nfs/dbraw/zinc/90/48/74/181904874.db2.gz IMVOJEMXLCTUSD-GASCZTMLSA-N 0 0 319.354 5.768 1 0 DKAFRN C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C ZINC000014505781 560222178 /nfs/dbraw/zinc/22/21/78/560222178.db2.gz OMLCVLLJDMSGPQ-GDVLXBNMSA-N 0 0 306.490 5.383 1 0 biogenic,in-vitro DKAFRN C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO)CO ZINC000014654634 560224026 /nfs/dbraw/zinc/22/40/26/560224026.db2.gz CLOPQFCHWDTGFD-BMTMAWCHSA-N 0 0 306.490 5.097 1 0 in-vitro DKAFRN CC(C)=CCC/C(C)=C\CC/C(=C/CC/C(C)=C/CO)CO ZINC000014654687 290940942 /nfs/dbraw/zinc/94/09/42/290940942.db2.gz SUWYPNNPLSRNPS-BVXVAVRLSA-N 0 0 306.490 5.097 1 0 biogenic,in-vitro DKAFRN CC[C@@H](C)CCCCCCCCCCCCC(=O)N1CCCC1 ZINC000014684362 560100362 /nfs/dbraw/zinc/10/03/62/560100362.db2.gz VRAFLAJRBDTYBS-HXUWFJFHSA-N 0 0 323.565 6.336 1 0 endogenous,in-man DKAFRN CC(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000014721940 290940622 /nfs/dbraw/zinc/94/06/22/290940622.db2.gz CGONEINYOMPEIT-UHFFFAOYSA-N 0 0 320.460 5.268 1 0 biogenic,in-vitro DKAFRN CC[C@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 ZINC000014946918 181977324 /nfs/dbraw/zinc/97/73/24/181977324.db2.gz VTGGNLFKRWMFCH-DPFFENIGSA-N 0 0 302.502 5.336 1 0 DKAFRN CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1 ZINC000014974958 181979274 /nfs/dbraw/zinc/97/92/74/181979274.db2.gz LZJXRGACEWFHIR-UHFFFAOYSA-N 0 0 313.441 5.675 1 0 DKAFRN CC[C@@H](C)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C ZINC000014975009 181979443 /nfs/dbraw/zinc/97/94/43/181979443.db2.gz CZVIQHWCCHQPPN-MRXNPFEDSA-N 0 0 313.441 5.593 1 0 DKAFRN C/C1=C\C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC/C(C)=C\CC1 ZINC000015154124 181990789 /nfs/dbraw/zinc/99/07/89/181990789.db2.gz SSBZLMMXFQMHDP-LRQRMEBUSA-N 0 0 306.490 5.168 1 0 DKAFRN C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C[C@@H]2C)[C@@]1(C)CCc1ccoc1 ZINC000015155024 571733032 /nfs/dbraw/zinc/73/30/32/571733032.db2.gz SXSAPQYSINCHJK-LEEVSCAKSA-N 0 0 302.458 5.270 1 0 endogenous,in-man DKAFRN C[C@H]1CC[C@]2(C)[C@H](CC(=O)C[C@@H]2C)[C@@]1(C)CCc1ccoc1 ZINC000015155026 571733008 /nfs/dbraw/zinc/73/30/08/571733008.db2.gz SXSAPQYSINCHJK-ZVMONYEMSA-N 0 0 302.458 5.270 1 0 endogenous,in-man DKAFRN C[C@@H]1CC[C@@]2(C)[C@H](CC(=O)C[C@@H]2C)[C@@]1(C)CCc1ccoc1 ZINC000015155029 571732975 /nfs/dbraw/zinc/73/29/75/571732975.db2.gz SXSAPQYSINCHJK-RNEXODBNSA-N 0 0 302.458 5.270 1 0 endogenous,in-man DKAFRN C[C@H]1CC(=O)C[C@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 ZINC000015155032 571733035 /nfs/dbraw/zinc/73/30/35/571733035.db2.gz SXSAPQYSINCHJK-WOCWYEKDSA-N 0 0 302.458 5.270 1 0 endogenous,in-man DKAFRN CC/C=C/C[C@@H](O)/C=C/C=C/CCCCCCCc1ccco1 ZINC000015221810 290941032 /nfs/dbraw/zinc/94/10/32/290941032.db2.gz GTXGAFVOCLTKJL-FGIUKSABSA-N 0 0 316.485 5.992 1 0 biogenic,in-vitro DKAFRN CC/C=C/C[C@H](O)/C=C/C=C/CCCCCCCc1ccco1 ZINC000015221813 560229552 /nfs/dbraw/zinc/22/95/52/560229552.db2.gz GTXGAFVOCLTKJL-CBJDEKPLSA-N 0 0 316.485 5.992 1 0 biogenic,in-vitro DKAFRN CCCCC[C@@H](O)/C=C/C=C/CCCCCCCc1ccco1 ZINC000015221816 560229578 /nfs/dbraw/zinc/22/95/78/560229578.db2.gz BJWDPOVZXYPCQL-BZXVQCDMSA-N 0 0 318.501 6.216 1 0 biogenic,in-vitro DKAFRN c1ccc(-c2sc(-c3ccccc3)c3c2[C@@H]2CC[C@H]3C2)cc1 ZINC000018043844 182090186 /nfs/dbraw/zinc/09/01/86/182090186.db2.gz KYMBUBVYNREWMP-CALCHBBNSA-N 0 0 302.442 6.447 1 0 DKAFRN CC(C)c1c(=O)[nH]c2ccc(Cl)cc2c1OC1CCCCC1 ZINC000018518455 182101878 /nfs/dbraw/zinc/10/18/78/182101878.db2.gz OQCFORGSZJSAEL-UHFFFAOYSA-N 0 0 319.832 5.016 1 0 in-vivo DKAFRN CC(=O)c1ccc2c(c1)Cc1cc3c(cc1-2)C(C)=CC(C)(C)N3 ZINC000024611185 182385086 /nfs/dbraw/zinc/38/50/86/182385086.db2.gz QROLJIOISIOIPO-UHFFFAOYSA-N 0 0 303.405 5.068 1 0 DKAFRN CCCCn1c2ccccc2c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000024611282 182385451 /nfs/dbraw/zinc/38/54/51/182385451.db2.gz GIYVQJUFCNEEDW-UHFFFAOYSA-N 0 0 318.464 6.202 1 0 DKAFRN CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1O ZINC000025987226 182427579 /nfs/dbraw/zinc/42/75/79/182427579.db2.gz STLOQHDLBLPKOZ-OUKQBFOZSA-N 0 0 308.465 6.158 1 0 DKAFRN CC(C)(C)c1cc(/C=C/c2ccsc2)cc(C(C)(C)C)c1O ZINC000025990808 182427851 /nfs/dbraw/zinc/42/78/51/182427851.db2.gz URZYTKXXNNZQDN-BQYQJAHWSA-N 0 0 314.494 6.219 1 0 DKAFRN Cc1ccc(NC(=O)N(C2CCCC2)C2CCCC2)c(C)c1 ZINC000026389189 182439096 /nfs/dbraw/zinc/43/90/96/182439096.db2.gz LZWRJCKRKIAVRA-UHFFFAOYSA-N 0 0 300.446 5.023 1 0 DKAFRN Clc1ccc2c(c1)CCNc1cc(Cl)cc(Cl)c1O2 ZINC000026396569 182439777 /nfs/dbraw/zinc/43/97/77/182439777.db2.gz CIGNJSBYEXMKHS-UHFFFAOYSA-N 0 0 314.599 5.407 1 0 DKAFRN CCCN1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 ZINC000026401860 182440564 /nfs/dbraw/zinc/44/05/64/182440564.db2.gz UGQXBXRBESFYMX-UHFFFAOYSA-N 0 0 322.235 5.558 1 0 DKAFRN COc1cc(/C=C/c2ccc3ccccc3c2)cc(OC)c1OC ZINC000026507013 182444290 /nfs/dbraw/zinc/44/42/90/182444290.db2.gz GOOTUFTVCKSZRA-CMDGGOBGSA-N 0 0 320.388 5.036 1 0 DKAFRN CC/C=C/C/C=C/C/C=C/CCCCCCCCCC(N)=O ZINC000026577868 182447534 /nfs/dbraw/zinc/44/75/34/182447534.db2.gz BWADZBIKQNRUPR-IUQGRGSQSA-N 0 0 305.506 5.841 1 0 DKAFRN Clc1ccc2nc(-c3c[nH]c4c3cccc4Cl)ccc2c1 ZINC000026579762 182447625 /nfs/dbraw/zinc/44/76/25/182447625.db2.gz DCMCQXIFQCAKBJ-UHFFFAOYSA-N 0 0 313.187 5.690 1 0 DKAFRN Oc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 ZINC000026580255 182447339 /nfs/dbraw/zinc/44/73/39/182447339.db2.gz DGBLAQLVJBSWLW-UHFFFAOYSA-N 0 0 312.372 5.116 1 0 DKAFRN COc1ccc2[nH]cc(-c3ccc4cc(Cl)ccc4n3)c2c1 ZINC000026636866 182448513 /nfs/dbraw/zinc/44/85/13/182448513.db2.gz QJBUFQRLKIFUQB-UHFFFAOYSA-N 0 0 308.768 5.045 1 0 DKAFRN CC1(C)CCC(C)(C)c2cc(/C=C/c3cccc(N)c3)ccc21 ZINC000026638895 182448451 /nfs/dbraw/zinc/44/84/51/182448451.db2.gz ZBWJQQJPCVBEEV-CMDGGOBGSA-N 0 0 305.465 5.788 1 0 DKAFRN CC1(C)CCC(C)(C)c2cc(/C=C\c3cccc(N)c3)ccc21 ZINC000026648038 182448021 /nfs/dbraw/zinc/44/80/21/182448021.db2.gz ZBWJQQJPCVBEEV-HJWRWDBZSA-N 0 0 305.465 5.788 1 0 DKAFRN C[C@H](CO)[C@H]1CC[C@H]2/C(=C/C=C3CCCCC3)CCC[C@@]21C ZINC000026648918 182448292 /nfs/dbraw/zinc/44/82/92/182448292.db2.gz GKMYAKKYJYFRRP-ZBLCJWFXSA-N 0 0 302.502 5.648 1 0 DKAFRN CC1=CC(C)(C)Nc2cc3c(c(Cl)c21)-c1ccccc1[C@H]3O ZINC000026652732 182448924 /nfs/dbraw/zinc/44/89/24/182448924.db2.gz LFTFHMAAAIFIPU-GOSISDBHSA-N 0 0 311.812 5.010 1 0 DKAFRN Oc1ccc2c(c1)CC(c1ccccc1F)=C2c1ccccc1 ZINC000026653820 182448918 /nfs/dbraw/zinc/44/89/18/182448918.db2.gz YJPVGHHKWZLCLU-UHFFFAOYSA-N 0 0 302.348 5.047 1 0 DKAFRN Oc1ccc2c(c1)CC(c1ccccc1)=C2c1ccccc1F ZINC000026654230 182448855 /nfs/dbraw/zinc/44/88/55/182448855.db2.gz MYYGYXAKVFZOCS-UHFFFAOYSA-N 0 0 302.348 5.047 1 0 DKAFRN c1ccc(-c2ccc(CCNc3cccc4ccccc43)cc2)cc1 ZINC000026740240 182451289 /nfs/dbraw/zinc/45/12/89/182451289.db2.gz KPLCRLWGNJOJTH-UHFFFAOYSA-N 0 0 323.439 6.161 1 0 DKAFRN c1ccc(-c2nc3c(cccc3-c3nc4ccccc4o3)o2)cc1 ZINC000026979930 182460129 /nfs/dbraw/zinc/46/01/29/182460129.db2.gz BEBACPIIZGRKGG-UHFFFAOYSA-N 0 0 312.328 5.303 1 0 DKAFRN CC1=N[C@H](c2ccccc2)Cc2ccccc2N1c1ccccc1 ZINC000027089926 182462102 /nfs/dbraw/zinc/46/21/02/182462102.db2.gz JYQHRPSWMMQQKB-NRFANRHFSA-N 0 0 312.416 5.541 1 0 DKAFRN CC(C)(C)c1cc(/C=C\c2ccccn2)cc2c1OCC2(C)C ZINC000027102342 182462321 /nfs/dbraw/zinc/46/23/21/182462321.db2.gz LRFHHVKEBXOZFS-KTKRTIGZSA-N 0 0 307.437 5.220 1 0 DKAFRN Cc1cc(/C=C\c2cc3c(c(C(C)(C)C)c2)OCC3(C)C)on1 ZINC000027104696 182462640 /nfs/dbraw/zinc/46/26/40/182462640.db2.gz CDWLFSMYIDXCOT-FPLPWBNLSA-N 0 0 311.425 5.121 1 0 DKAFRN c1[nH]c(CC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000027106397 182463051 /nfs/dbraw/zinc/46/30/51/182463051.db2.gz LAHDQEJNOQBNSA-UHFFFAOYSA-N 0 0 316.448 5.867 1 0 in-vivo DKAFRN CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C1\CCCc2ccccc21 ZINC000027205200 182465441 /nfs/dbraw/zinc/46/54/41/182465441.db2.gz MHDNROXISMPMDB-RPJLLJSMSA-N 0 0 322.448 5.418 1 0 DKAFRN Cc1c2nccc(C(F)(F)F)c2cc2c1NC(C)(C)C[C@H]2C ZINC000027406708 182471556 /nfs/dbraw/zinc/47/15/56/182471556.db2.gz ANSIHTJRWWICOO-SECBINFHSA-N 0 0 308.347 5.260 1 0 DKAFRN O=C1C2=C(CCCCCCC2)OCC1[C@H](c1ccccc1)C1CC1 ZINC000027518719 581101757 /nfs/dbraw/zinc/10/17/57/581101757.db2.gz PCZCQSPJMSSYBP-OAQYLSRUSA-N 0 0 324.464 6.021 1 0 DKAFRN O=C1C2=C(CCCCCCC2)OCC1[C@@H](c1ccccc1)C1CC1 ZINC000027518720 581101716 /nfs/dbraw/zinc/10/17/16/581101716.db2.gz PCZCQSPJMSSYBP-NRFANRHFSA-N 0 0 324.464 6.021 1 0 DKAFRN Oc1ccc([C@@H]2CC[C@H]3C[C@@H]2CC[C@@H]3c2ccc(O)cc2)cc1 ZINC000027519209 190655009 /nfs/dbraw/zinc/65/50/09/190655009.db2.gz KOXOKIHAUUSXLB-IDPBPBMLSA-N 0 0 308.421 5.175 1 0 DKAFRN CSc1ccc(-c2nc3sccn3c2-c2ccccc2)cc1 ZINC000027560874 581099668 /nfs/dbraw/zinc/09/96/68/581099668.db2.gz LGGOJTFFASIAEW-UHFFFAOYSA-N 0 0 322.458 5.452 1 0 DKAFRN CC[C@@H](c1cc(O)ccc1F)[C@@H](CC)c1cc(O)ccc1F ZINC000027650089 182485959 /nfs/dbraw/zinc/48/59/59/182485959.db2.gz NKQMBQTYGYKEGK-ZIAGYGMSSA-N 0 0 306.352 5.063 1 0 DKAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000027654324 182486054 /nfs/dbraw/zinc/48/60/54/182486054.db2.gz NEBZNJDFIPBXCS-CQSZACIVSA-N 0 0 314.469 5.870 1 0 DKAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000027654328 182485410 /nfs/dbraw/zinc/48/54/10/182485410.db2.gz NEBZNJDFIPBXCS-AWEZNQCLSA-N 0 0 314.469 5.870 1 0 DKAFRN Clc1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1 ZINC000027657196 581098818 /nfs/dbraw/zinc/09/88/18/581098818.db2.gz ZEXKREHQAIROAG-UHFFFAOYSA-N 0 0 322.839 5.462 1 0 DKAFRN CCCCCCC(C)(C)c1ccc([C@@H](C)C[C@H](C)O)c(O)c1 ZINC000027756799 182489848 /nfs/dbraw/zinc/48/98/48/182489848.db2.gz QUKVTBKVZRIEPF-HOTGVXAUSA-N 0 0 306.490 5.515 1 0 DKAFRN CCC1=C(c2cccc(C(C)=O)c2)[C@@H](C)c2ccc(C(C)=O)cc21 ZINC000027876969 182495137 /nfs/dbraw/zinc/49/51/37/182495137.db2.gz KNEIDYWYHLLSRP-ZDUSSCGKSA-N 0 0 318.416 5.530 1 0 DKAFRN C[C@H](c1cc(O)ccc1Cl)[C@H](C)c1cc(O)ccc1Cl ZINC000027896285 182496191 /nfs/dbraw/zinc/49/61/91/182496191.db2.gz SLYQRDHXGDDHAO-UWVGGRQHSA-N 0 0 311.208 5.312 1 0 DKAFRN c1ccc(C[C@H](Nc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000028010610 182504541 /nfs/dbraw/zinc/50/45/41/182504541.db2.gz VHBLFRHLLOVWKQ-IBGZPJMESA-N 0 0 314.388 5.224 1 0 DKAFRN CCOC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)CCCC3)cc1 ZINC000028086672 182507492 /nfs/dbraw/zinc/50/74/92/182507492.db2.gz RATOXCFBULZZRZ-JQIJEIRASA-N 0 0 320.432 5.303 1 0 DKAFRN CCCc1cc(C)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O ZINC000028218403 182511994 /nfs/dbraw/zinc/51/19/94/182511994.db2.gz QBJUFUHYFMGSJB-UHFFFAOYSA-N 0 0 324.420 5.307 1 0 DKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@]2(C)CCO ZINC000028359737 182521722 /nfs/dbraw/zinc/52/17/22/182521722.db2.gz KUTIBSYGWMIVIN-YMQHIKHWSA-N 0 0 308.550 6.054 1 0 DKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)CCO ZINC000028359744 182522083 /nfs/dbraw/zinc/52/20/83/182522083.db2.gz KUTIBSYGWMIVIN-SSSFQFABSA-N 0 0 308.550 6.054 1 0 DKAFRN C[C@H](CC(C)(C)C)Oc1cccc2ccc(N3CCCC3)nc21 ZINC000028392223 182522649 /nfs/dbraw/zinc/52/26/49/182522649.db2.gz KIGZEMJNLHNOPR-OAHLLOKOSA-N 0 0 312.457 5.039 1 0 DKAFRN CCc1ccc(C2=NCc3ccc(Cl)cc3-n3cccc32)cc1 ZINC000028463892 182524583 /nfs/dbraw/zinc/52/45/83/182524583.db2.gz CEDNUKHSIIIVKQ-UHFFFAOYSA-N 0 0 320.823 5.044 1 0 DKAFRN CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/CCOC1=O ZINC000028571972 182529668 /nfs/dbraw/zinc/52/96/68/182529668.db2.gz RWBLQHFGBBIOQY-DTFKRFDDSA-N 0 0 302.458 5.049 1 0 DKAFRN CC(C)(C)C(=O)N1N=C(C(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC000028572022 182529931 /nfs/dbraw/zinc/52/99/31/182529931.db2.gz PLIZMYLFTIRZJV-CQSZACIVSA-N 0 0 320.864 5.062 1 0 DKAFRN C/C1=C/CC[C@](C)(O)/C=C\[C@H](C(C)C)CCc2coc(c2)C1 ZINC000028638861 182531943 /nfs/dbraw/zinc/53/19/43/182531943.db2.gz SERTTYWXOQCADY-KKUMVBAPSA-N 0 0 302.458 5.074 1 0 DKAFRN c1csc(-c2cc(-c3ccsc3)cc(-c3cccnc3)n2)c1 ZINC000028647855 182533672 /nfs/dbraw/zinc/53/36/72/182533672.db2.gz VHGWCIXZDIFEMK-UHFFFAOYSA-N 0 0 320.442 5.601 1 0 DKAFRN c1coc(-c2cc(-c3cccs3)nc(-c3cccnc3)c2)c1 ZINC000028647857 182533680 /nfs/dbraw/zinc/53/36/80/182533680.db2.gz ITUHEXGMKBGODF-UHFFFAOYSA-N 0 0 304.374 5.132 1 0 DKAFRN O=Nc1c2ccccc2[nH]c1C1C(=O)Nc2c1cccc2Cl ZINC000028710546 182536327 /nfs/dbraw/zinc/53/63/27/182536327.db2.gz DFPCCEYOLMXHFI-UHFFFAOYSA-N 0 0 311.728 5.073 1 0 DKAFRN c1coc(-c2cc(-c3cccs3)cc(-c3ccccc3)n2)c1 ZINC000028762335 182537772 /nfs/dbraw/zinc/53/77/72/182537772.db2.gz OTERKIMDBPIXER-UHFFFAOYSA-N 0 0 303.386 5.737 1 0 DKAFRN c1coc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c1 ZINC000028762586 182537735 /nfs/dbraw/zinc/53/77/35/182537735.db2.gz GPJSHBVWKNCWGV-UHFFFAOYSA-N 0 0 309.415 5.799 1 0 DKAFRN C/C=C(/c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 ZINC000028766282 182538620 /nfs/dbraw/zinc/53/86/20/182538620.db2.gz OUKZNYMQRNXOCE-VKNLYSTLSA-N 0 0 324.811 5.025 1 0 DKAFRN CC[C@H](c1ccc(O)cc1)[C@@H](CC(F)(F)F)c1ccc(O)cc1 ZINC000028769468 182538573 /nfs/dbraw/zinc/53/85/73/182538573.db2.gz NSRPWIQDERJLSF-SJORKVTESA-N 0 0 324.342 5.328 1 0 DKAFRN CC[C@@H](c1ccc(O)cc1)[C@H](CC(F)(F)F)c1ccc(O)cc1 ZINC000028769473 182538690 /nfs/dbraw/zinc/53/86/90/182538690.db2.gz NSRPWIQDERJLSF-DLBZAZTESA-N 0 0 324.342 5.328 1 0 DKAFRN CC/C(=C(\CC(F)(F)F)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028769713 182538776 /nfs/dbraw/zinc/53/87/76/182538776.db2.gz NTSFMJHPJUZGGK-MSUUIHNZSA-N 0 0 322.326 5.371 1 0 DKAFRN CCc1ncnc(N[C@@H](C)c2cccc3ccccc32)c1Cl ZINC000028887551 182544125 /nfs/dbraw/zinc/54/41/25/182544125.db2.gz HEROKDAMGUOWDA-LBPRGKRZSA-N 0 0 311.816 5.019 1 0 DKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(CO)cc21 ZINC000028974955 182548456 /nfs/dbraw/zinc/54/84/56/182548456.db2.gz IYEASKNQCFYZNW-UXLLHSPISA-N 0 0 302.458 5.248 1 0 DKAFRN COc1ccc2cc(-c3cccc(-c4ccncc4)c3)ccc2c1 ZINC000028979172 182548195 /nfs/dbraw/zinc/54/81/95/182548195.db2.gz CXJFTKWRWQZYKH-UHFFFAOYSA-N 0 0 311.384 5.577 1 0 DKAFRN CC(C)(C)c1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000029040526 182548865 /nfs/dbraw/zinc/54/88/65/182548865.db2.gz IBHNTBDRUPKYHZ-UHFFFAOYSA-N 0 0 320.354 5.428 1 0 DKAFRN CC(C)(C)c1ccc(-c2cc3cc(C(C)(C)C)ccc3[nH]2)cc1 ZINC000029040540 182548983 /nfs/dbraw/zinc/54/89/83/182548983.db2.gz PBUKGCUQLQWIQX-UHFFFAOYSA-N 0 0 305.465 6.430 1 0 DKAFRN CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 ZINC000029061534 182550497 /nfs/dbraw/zinc/55/04/97/182550497.db2.gz YJSDMDYNCMZAED-UHFFFAOYSA-N 0 0 311.208 5.834 1 0 in-vivo DKAFRN COc1c(Nc2ccccc2)cc(C(C)(C)C)cc1C(C)(C)C ZINC000029127451 182552711 /nfs/dbraw/zinc/55/27/11/182552711.db2.gz DZQDWUFWYCFHFX-UHFFFAOYSA-N 0 0 311.469 6.034 1 0 DKAFRN ClC(Cl)(Cl)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000029130256 182553801 /nfs/dbraw/zinc/55/38/01/182553801.db2.gz PZNMGJZBAIOBKY-UHFFFAOYSA-N 0 0 323.610 5.124 1 0 DKAFRN CSc1nc2c(nc3ccccc3c2Nc2ccccc2)s1 ZINC000029130821 182553510 /nfs/dbraw/zinc/55/35/10/182553510.db2.gz HNKVGAPDGUSHRX-UHFFFAOYSA-N 0 0 323.446 5.310 1 0 DKAFRN CC[C@@H](c1ccc(-c2ccc(SC)s2)cc1)n1ccnc1 ZINC000029131214 182553136 /nfs/dbraw/zinc/55/31/36/182553136.db2.gz JFKXOBIVVBDGLI-HNNXBMFYSA-N 0 0 314.479 5.333 1 0 DKAFRN Cc1ccc2c(ccc3c2[C@H](c2ccc(Cl)cc2)CC(=O)O3)c1 ZINC000029135967 182554157 /nfs/dbraw/zinc/55/41/57/182554157.db2.gz RVIQDAMDNMHTDT-KRWDZBQOSA-N 0 0 322.791 5.243 1 0 DKAFRN CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)SC ZINC000029307679 182559006 /nfs/dbraw/zinc/55/90/06/182559006.db2.gz GLAOXGRNDMZBCL-KSTBUPHCSA-N 0 0 312.519 5.390 1 0 DKAFRN CCOC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)(C)SC ZINC000029307684 182559340 /nfs/dbraw/zinc/55/93/40/182559340.db2.gz GLAOXGRNDMZBCL-VQTLTRSMSA-N 0 0 312.519 5.390 1 0 DKAFRN CC[C@@H](C)OC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC ZINC000029315291 182559824 /nfs/dbraw/zinc/55/98/24/182559824.db2.gz PLRGKBXOGVSNCQ-BCLJQKAOSA-N 0 0 324.505 5.452 1 0 DKAFRN CCCCOC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC ZINC000029315846 182559813 /nfs/dbraw/zinc/55/98/13/182559813.db2.gz LCOFCJKJWNIKKO-BFAAOMJKSA-N 0 0 324.505 5.454 1 0 DKAFRN CC(/C=C/C[C@@H](C)CCCC(C)(C)Cl)=C\C(=O)OC(C)C ZINC000029318020 182559911 /nfs/dbraw/zinc/55/99/11/182559911.db2.gz ASVBRZARIHWWTN-CGGQYXJSSA-N 0 0 314.897 5.654 1 0 DKAFRN CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)Cl ZINC000029319205 182560085 /nfs/dbraw/zinc/56/00/85/182560085.db2.gz LSJLPKUAGZEUDP-SIPCROHCSA-N 0 0 300.870 5.266 1 0 DKAFRN CCOC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)(C)Cl ZINC000029319209 182559776 /nfs/dbraw/zinc/55/97/76/182559776.db2.gz LSJLPKUAGZEUDP-DIKQUNAJSA-N 0 0 300.870 5.266 1 0 DKAFRN Cc1c(-c2ccccc2)[nH]c(=S)n1Nc1cccc(Cl)c1 ZINC000029322557 182560360 /nfs/dbraw/zinc/56/03/60/182560360.db2.gz RASNGLPHGURFGJ-UHFFFAOYSA-N 0 0 315.829 5.050 1 0 DKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCO ZINC000029407919 182564629 /nfs/dbraw/zinc/56/46/29/182564629.db2.gz NEYOIHGMUHELNR-GDFIKGLMSA-N 0 0 318.545 6.905 1 0 DKAFRN O=C(c1c2ccccc2oc1-c1ccccc1)c1ccc(O)cc1 ZINC000029409249 182564714 /nfs/dbraw/zinc/56/47/14/182564714.db2.gz RDWUDKIZLACHKY-UHFFFAOYSA-N 0 0 314.340 5.036 1 0 DKAFRN Oc1ccc(-c2c3ccc(O)cc3oc2-c2ccccc2)cc1 ZINC000029416410 182565442 /nfs/dbraw/zinc/56/54/42/182565442.db2.gz IKZXFAFCANMYFQ-UHFFFAOYSA-N 0 0 302.329 5.178 1 0 DKAFRN C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CCC[C@H](C)[C@]21C ZINC000033831070 290938797 /nfs/dbraw/zinc/93/87/97/290938797.db2.gz IDKJGEXZZAIZPB-ZBVMZCLZSA-N 0 0 316.441 5.137 1 0 biogenic,in-vitro DKAFRN CCOC(=O)CCCCCCCCCCCCCCC(C)C ZINC000033831111 560088517 /nfs/dbraw/zinc/08/85/17/560088517.db2.gz DMMXZLMYEUEJFT-UHFFFAOYSA-N 0 0 312.538 6.667 1 0 biogenic,in-vitro DKAFRN CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)OC ZINC000033842008 182723394 /nfs/dbraw/zinc/72/33/94/182723394.db2.gz QHATYOWJCAQINT-SPOHZTNBSA-N 0 0 320.517 6.529 1 0 DKAFRN CC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@@H]2OC1=O ZINC000034348868 182732138 /nfs/dbraw/zinc/73/21/38/182732138.db2.gz ZFHCMDPHJINNOE-DKTDWJLLSA-N 0 0 300.442 5.421 1 0 DKAFRN c1ccc(COc2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000034412355 182732298 /nfs/dbraw/zinc/73/22/98/182732298.db2.gz OJUYBSPIFYOBBL-UHFFFAOYSA-N 0 0 311.384 5.481 1 0 DKAFRN CSc1ccc(Nc2ccc(N(C)C)c3ccccc23)cc1 ZINC000034946460 182745904 /nfs/dbraw/zinc/74/59/04/182745904.db2.gz LXJUAPYGVUPERI-UHFFFAOYSA-N 0 0 308.450 5.371 1 0 DKAFRN Cc1ccc(Oc2c3ccccc3nc3c2CCCC3)cc1C ZINC000035015310 182747648 /nfs/dbraw/zinc/74/76/48/182747648.db2.gz NVRUJDIDYURQHU-UHFFFAOYSA-N 0 0 303.405 5.523 1 0 DKAFRN CCCCCc1c2c(c(C)c3c1Oc1ccccc1O3)C(=O)OC2 ZINC000035090763 182752112 /nfs/dbraw/zinc/75/21/12/182752112.db2.gz TYKQOVIBIKFBJH-UHFFFAOYSA-N 0 0 324.376 5.296 1 0 DKAFRN CC(C)(C)c1cc(/C=C\c2cccs2)cc2c1OCC2(C)C ZINC000036126904 581095097 /nfs/dbraw/zinc/09/50/97/581095097.db2.gz CVHYSZGLJBKYOG-HJWRWDBZSA-N 0 0 312.478 5.886 1 0 DKAFRN CCCC(=O)N(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000036381218 563455457 /nfs/dbraw/zinc/45/54/57/563455457.db2.gz CCRDLVVFMKVQTP-OBGWFSINSA-N 0 0 303.405 5.017 1 0 DKAFRN CC(C)=CC[C@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO ZINC000036462270 560086639 /nfs/dbraw/zinc/08/66/39/560086639.db2.gz CHBFGYKXOFQFQP-UGGRNDNRSA-N 0 0 306.490 5.095 1 0 biogenic,in-vitro DKAFRN CCCCC(CCCC)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000037632961 182915353 /nfs/dbraw/zinc/91/53/53/182915353.db2.gz WTZJRGZLBBRGOT-UHFFFAOYSA-N 0 0 312.453 5.764 1 0 DKAFRN COc1ccc(-c2ccccc2-c2cc(OC)cc(OC)c2)cc1 ZINC000038156618 182994430 /nfs/dbraw/zinc/99/44/30/182994430.db2.gz YTEAKYDIQLKHMB-UHFFFAOYSA-N 0 0 320.388 5.046 1 0 in-vivo DKAFRN CC(C)=CCC/C(C)=C/[C@@H](O)C/C(C)=C/CC/C(C)=C/CO ZINC000038213823 182996552 /nfs/dbraw/zinc/99/65/52/182996552.db2.gz FVDBKWBFRSVIAW-JVPHMFOWSA-N 0 0 306.490 5.095 1 0 DKAFRN CCn1c2c(=S)ssc2c2ssc(=S)c21 ZINC000038259447 182996279 /nfs/dbraw/zinc/99/62/79/182996279.db2.gz QFQHPVZUQPOPJB-UHFFFAOYSA-N 0 0 307.537 5.519 1 0 DKAFRN CC(C)=CCC[C@@H](C)CC(=O)OCC[C@@H](C)CCC=C(C)C ZINC000038635261 183004567 /nfs/dbraw/zinc/00/45/67/183004567.db2.gz HUZXZYWMBWQTNX-RBUKOAKNSA-N 0 0 308.506 6.075 1 0 DKAFRN Clc1cc2[nH]nc(Nc3ccccn3)c2cc1-c1ccccc1 ZINC000038820437 183010243 /nfs/dbraw/zinc/01/02/43/183010243.db2.gz LWPWJTRRZSRIKZ-UHFFFAOYSA-N 0 0 320.783 5.022 1 0 DKAFRN CC(C)(C)c1cc(C(=O)C2CCCC2)cc2c1OCC2(C)C ZINC000038958115 183013445 /nfs/dbraw/zinc/01/34/45/183013445.db2.gz QANZAMYXMMRTLZ-UHFFFAOYSA-N 0 0 300.442 5.027 1 0 DKAFRN CC[C@H](C)CCCCCC/C=C\CC/C=C\CCCC(=O)OC ZINC000038983665 183013513 /nfs/dbraw/zinc/01/35/13/183013513.db2.gz VXBNMFSUHNIDOK-YEEQPXGRSA-N 0 0 322.533 6.609 1 0 DKAFRN Cc1cc(Nc2ccc(C(C)C)cc2)c2c3nc[nH]c3ccc2n1 ZINC000039214805 183015001 /nfs/dbraw/zinc/01/50/01/183015001.db2.gz KGJMPEZQMAGTPV-UHFFFAOYSA-N 0 0 316.408 5.287 1 0 DKAFRN Cc1cc(Nc2cccc3ccccc32)c2c3nc[nH]c3ccc2n1 ZINC000039214811 183015083 /nfs/dbraw/zinc/01/50/83/183015083.db2.gz RLBFUWIZSBGKIM-UHFFFAOYSA-N 0 0 324.387 5.316 1 0 DKAFRN Cc1cc(Nc2ccc3ccccc3c2)c2c3nc[nH]c3ccc2n1 ZINC000039214812 183015027 /nfs/dbraw/zinc/01/50/27/183015027.db2.gz DVNWSXRCWAGKDB-UHFFFAOYSA-N 0 0 324.387 5.316 1 0 DKAFRN Cc1ccc(Cl)c(Nc2cc(C)nc3ccc4[nH]cnc4c32)c1 ZINC000039214813 183014894 /nfs/dbraw/zinc/01/48/94/183014894.db2.gz WDYDSIQMFICSQV-UHFFFAOYSA-N 0 0 322.799 5.125 1 0 DKAFRN Cc1cc(Nc2ccc(C)c(Cl)c2)c2c3nc[nH]c3ccc2n1 ZINC000039214816 183014993 /nfs/dbraw/zinc/01/49/93/183014993.db2.gz LDMMNZIHKFLMBQ-UHFFFAOYSA-N 0 0 322.799 5.125 1 0 DKAFRN Cc1cc(Nc2ccc(Cl)cc2C)c2c3nc[nH]c3ccc2n1 ZINC000039214817 183014871 /nfs/dbraw/zinc/01/48/71/183014871.db2.gz FJPJLZAIQMLLDN-UHFFFAOYSA-N 0 0 322.799 5.125 1 0 DKAFRN Cc1cc(Nc2cccc(Cl)c2C)c2c3nc[nH]c3ccc2n1 ZINC000039214818 183015210 /nfs/dbraw/zinc/01/52/10/183015210.db2.gz UEAACGCDUXBVAK-UHFFFAOYSA-N 0 0 322.799 5.125 1 0 DKAFRN CC[C@@H](c1ccc(O)cc1F)[C@@H](CC)c1ccc(O)cc1F ZINC000039408104 183018167 /nfs/dbraw/zinc/01/81/67/183018167.db2.gz WMMQBWOPQZTKIL-ZIAGYGMSSA-N 0 0 306.352 5.063 1 0 DKAFRN CC[C@H](c1ccc(O)cc1F)[C@H](CC)c1ccc(O)cc1F ZINC000039408105 183018745 /nfs/dbraw/zinc/01/87/45/183018745.db2.gz WMMQBWOPQZTKIL-KBPBESRZSA-N 0 0 306.352 5.063 1 0 DKAFRN CCCCCC[C@@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000039971777 183025992 /nfs/dbraw/zinc/02/59/92/183025992.db2.gz LZEOEDOPOXITOO-LLVKDONJSA-N 0 0 316.873 5.124 1 0 DKAFRN CO[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc(O)c(C(C)C)c21 ZINC000040380001 183057785 /nfs/dbraw/zinc/05/77/85/183057785.db2.gz KEZJULFFBNQVPA-XGHQBKJUSA-N 0 0 316.485 5.691 1 0 DKAFRN Cc1ccc(-c2csc(NC(=S)c3ccccc3)n2)c(C)c1 ZINC000040393670 183060960 /nfs/dbraw/zinc/06/09/60/183060960.db2.gz MYXUCYCPPUSEBK-UHFFFAOYSA-N 0 0 324.474 5.215 1 0 DKAFRN c1ccc2c(c1)sc1c2Sc2c(sc3ccccc32)C=C1 ZINC000040394384 183060622 /nfs/dbraw/zinc/06/06/22/183060622.db2.gz QTRNPSUTHGEZRR-UHFFFAOYSA-N 0 0 322.479 6.751 1 0 DKAFRN FC(F)(F)c1cccc(-c2c[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000040394988 183060741 /nfs/dbraw/zinc/06/07/41/183060741.db2.gz NEKKFGFJEMKNNF-UHFFFAOYSA-N 0 0 322.717 5.416 1 0 DKAFRN CC1(C)c2c3ccccc3[nH]c2Sc2[nH]c3ccccc3c21 ZINC000040395501 183060578 /nfs/dbraw/zinc/06/05/78/183060578.db2.gz LNBVLGLWJANVHU-UHFFFAOYSA-N 0 0 304.418 5.440 1 0 DKAFRN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1 ZINC000040401268 183061611 /nfs/dbraw/zinc/06/16/11/183061611.db2.gz PBEPQAXWDKVQOU-UHFFFAOYSA-N 0 0 312.244 5.279 1 0 DKAFRN Clc1ccccc1[C@@H]1C[C@@H]2Cc3ccc4ccccc4c3N1O2 ZINC000040401937 183061255 /nfs/dbraw/zinc/06/12/55/183061255.db2.gz JTIZXHQHSHVUDZ-KXBFYZLASA-N 0 0 321.807 5.301 1 0 DKAFRN Cc1ccc(-c2c(=O)ssc2-c2ccc(Cl)cc2)cc1 ZINC000040404306 183062400 /nfs/dbraw/zinc/06/24/00/183062400.db2.gz CUFDVUQUYHTZLD-UHFFFAOYSA-N 0 0 318.850 5.466 1 0 in-vivo DKAFRN O=c1cc(-c2ccccc2)c2ccc3oc4c(c3c2o1)CCCC4 ZINC000040406077 183062510 /nfs/dbraw/zinc/06/25/10/183062510.db2.gz RWJHZHYXHWXZGT-UHFFFAOYSA-N 0 0 316.356 5.085 1 0 DKAFRN CC(C)CCOc1ccc(C2=Nc3ccccc3SC2)cc1 ZINC000040410577 183062945 /nfs/dbraw/zinc/06/29/45/183062945.db2.gz KJYOJYBEFKQLBU-UHFFFAOYSA-N 0 0 311.450 5.338 1 0 DKAFRN c1ccc(CCC2=NO[C@H](Cc3cccc4ccccc43)C2)cc1 ZINC000040410659 183062933 /nfs/dbraw/zinc/06/29/33/183062933.db2.gz SVYYHEIHCZJHOG-OAQYLSRUSA-N 0 0 315.416 5.160 1 0 DKAFRN c1ccc(CCC2=NO[C@@H](Cc3cccc4ccccc43)C2)cc1 ZINC000040410661 183063009 /nfs/dbraw/zinc/06/30/09/183063009.db2.gz SVYYHEIHCZJHOG-NRFANRHFSA-N 0 0 315.416 5.160 1 0 DKAFRN C/C1=C\C=C(\C(C)(C)O)CC[C@H](C)CC(=O)C/C(C)=C/CC1 ZINC000040420844 183064238 /nfs/dbraw/zinc/06/42/38/183064238.db2.gz KECRMPBXABTDAG-OKTAHGQMSA-N 0 0 304.474 5.136 1 0 DKAFRN Clc1ccc(-c2cnsc2-c2ccc(Cl)cc2)cc1 ZINC000040422459 183064203 /nfs/dbraw/zinc/06/42/03/183064203.db2.gz FCOMTKBRAKMDNZ-UHFFFAOYSA-N 0 0 306.217 5.784 1 0 in-vivo DKAFRN COc1ccc(-c2sncc2-c2ccc(Cl)cc2)cc1 ZINC000040422734 183064470 /nfs/dbraw/zinc/06/44/70/183064470.db2.gz OORIOMOWZWWCHX-UHFFFAOYSA-N 0 0 301.798 5.139 1 0 in-vivo DKAFRN c1cn([C@@H](c2ccc(-c3ccccc3)cc2)C2CCCCC2)cn1 ZINC000040424238 183064992 /nfs/dbraw/zinc/06/49/92/183064992.db2.gz DQTVQWXPIQFVIF-JOCHJYFZSA-N 0 0 316.448 5.720 1 0 DKAFRN c1cn([C@H](c2ccc(-c3ccccc3)cc2)C2CCCCC2)cn1 ZINC000040424239 183065382 /nfs/dbraw/zinc/06/53/82/183065382.db2.gz DQTVQWXPIQFVIF-QFIPXVFZSA-N 0 0 316.448 5.720 1 0 DKAFRN COc1ccc2cc(-c3cncc(-c4ccccc4)c3)ccc2c1 ZINC000040424887 183065366 /nfs/dbraw/zinc/06/53/66/183065366.db2.gz SQTORKYTOSOTPB-UHFFFAOYSA-N 0 0 311.384 5.577 1 0 in-vivo DKAFRN Fc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1F ZINC000040428773 183065431 /nfs/dbraw/zinc/06/54/31/183065431.db2.gz BJPNKNRGZIZMII-GOSISDBHSA-N 0 0 321.370 5.495 1 0 DKAFRN Fc1ccc(-c2ccc3c(c2)CCC[C@H]3c2ccncc2)cc1F ZINC000040428774 183065453 /nfs/dbraw/zinc/06/54/53/183065453.db2.gz BJPNKNRGZIZMII-SFHVURJKSA-N 0 0 321.370 5.495 1 0 DKAFRN CC(C)=CCCc1ccc(C=O)c(-c2ccc(N(C)C)cc2)c1 ZINC000040428857 183065071 /nfs/dbraw/zinc/06/50/71/183065071.db2.gz RMWYKKYNFLDRSW-UHFFFAOYSA-N 0 0 307.437 5.131 1 0 DKAFRN O=c1oc(OCCCC2CCCCC2)c(Cl)c2ccccc12 ZINC000040430145 183066123 /nfs/dbraw/zinc/06/61/23/183066123.db2.gz HEYFFCARPQQPCG-UHFFFAOYSA-N 0 0 320.816 5.186 1 0 DKAFRN CC(C)(C)c1cc(C(=O)C2CCCCC2)cc2c1OCC2(C)C ZINC000040466036 183072453 /nfs/dbraw/zinc/07/24/53/183072453.db2.gz LQCNNHHKNFMVBF-UHFFFAOYSA-N 0 0 314.469 5.417 1 0 DKAFRN O=C(Nc1ccc2cccnc2c1)c1ccc(-c2ccccc2)cc1 ZINC000040565928 183103980 /nfs/dbraw/zinc/10/39/80/183103980.db2.gz INUKFHPJCWULAI-UHFFFAOYSA-N 0 0 324.383 5.154 1 0 DKAFRN O=C(Nc1ccc2ccncc2c1)c1ccc(-c2ccccc2)cc1 ZINC000040567582 183103771 /nfs/dbraw/zinc/10/37/71/183103771.db2.gz ZZPLXXJUOLNNKK-UHFFFAOYSA-N 0 0 324.383 5.154 1 0 DKAFRN O=C(Nc1ccc2cnccc2c1)c1ccc(-c2ccccc2)cc1 ZINC000040575403 183104724 /nfs/dbraw/zinc/10/47/24/183104724.db2.gz DGWAEYPOXSJKDU-UHFFFAOYSA-N 0 0 324.383 5.154 1 0 DKAFRN c1ccc(CSC2=NCc3[nH]c4ccccc4c3S2)cc1 ZINC000040585120 183105673 /nfs/dbraw/zinc/10/56/73/183105673.db2.gz XVFBOXMMRZLHGE-UHFFFAOYSA-N 0 0 310.447 5.063 1 0 DKAFRN COc1cc(/C=C(\C)c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC000040836123 183140225 /nfs/dbraw/zinc/14/02/25/183140225.db2.gz GDWKKQTUWXKJKS-XYOKQWHBSA-N 0 0 322.326 5.283 1 0 DKAFRN Clc1ccc2[nH]c(Nc3cc(Cl)cc(Cl)c3)nc2c1 ZINC000040845301 183141087 /nfs/dbraw/zinc/14/10/87/183141087.db2.gz QULRLINBIIMKHE-UHFFFAOYSA-N 0 0 312.587 5.267 1 0 DKAFRN C[C@H](Nc1cc2c(cn1)onc2-c1ccccc1)c1ccccc1 ZINC000040845375 183140760 /nfs/dbraw/zinc/14/07/60/183140760.db2.gz RLARTPHANIERPF-AWEZNQCLSA-N 0 0 315.376 5.063 1 0 DKAFRN CC/C(=C\c1ccc(C(F)(F)F)cc1)c1cc(O)cc(O)c1 ZINC000040845851 183140898 /nfs/dbraw/zinc/14/08/98/183140898.db2.gz KPMUSPUIKVTNQJ-KPKJPENVSA-N 0 0 308.299 5.067 1 0 DKAFRN c1ccc2[nH]c(N[C@@H]3CCCc4ccc5ccccc5c43)nc2c1 ZINC000040845997 183141457 /nfs/dbraw/zinc/14/14/57/183141457.db2.gz ZBIBQVJNOROCLB-LJQANCHMSA-N 0 0 313.404 5.206 1 0 DKAFRN c1ccc2[nH]c(N[C@H]3CCCc4ccc5ccccc5c43)nc2c1 ZINC000040845999 183141049 /nfs/dbraw/zinc/14/10/49/183141049.db2.gz ZBIBQVJNOROCLB-IBGZPJMESA-N 0 0 313.404 5.206 1 0 DKAFRN CCCOc1c(O)c(-c2ccccc2)c(O)cc1-c1ccccc1 ZINC000040846962 183141361 /nfs/dbraw/zinc/14/13/61/183141361.db2.gz TXRIXIODFALMLJ-UHFFFAOYSA-N 0 0 320.388 5.221 1 0 DKAFRN Clc1ccc2[nH]c(Nc3ccc(Cl)cc3Cl)nc2c1 ZINC000040847980 183141335 /nfs/dbraw/zinc/14/13/35/183141335.db2.gz GQZHDNNOQDMUHG-UHFFFAOYSA-N 0 0 312.587 5.267 1 0 DKAFRN Clc1ccc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000040863535 183144612 /nfs/dbraw/zinc/14/46/12/183144612.db2.gz CKOGLYBSLVAQAO-UHFFFAOYSA-N 0 0 312.587 5.267 1 0 DKAFRN C[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 ZINC000040864841 183144686 /nfs/dbraw/zinc/14/46/86/183144686.db2.gz FEJYVWPFDRSJOL-MRXNPFEDSA-N 0 0 313.404 5.389 1 0 DKAFRN CO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc(O)c(C(C)C)c21 ZINC000040872676 183145458 /nfs/dbraw/zinc/14/54/58/183145458.db2.gz KEZJULFFBNQVPA-LLGFUMIMSA-N 0 0 316.485 5.691 1 0 DKAFRN C=C/C(C)=C/C[C@H](C)/C=C(C)/C=C(C)\C=C\C=C\C(=O)OC ZINC000040872941 183145358 /nfs/dbraw/zinc/14/53/58/183145358.db2.gz PQCBJDJGQTVMJG-ZXUOPKEASA-N 0 0 300.442 5.323 1 0 DKAFRN CC[C@@H](C)CC/C=C/C(C)=C/[C@H](C)C/C=C/C=C/C(=O)OC ZINC000040878297 183145638 /nfs/dbraw/zinc/14/56/38/183145638.db2.gz KDIKGBSGQLBRQP-LACIPOBDSA-N 0 0 304.474 5.627 1 0 DKAFRN Oc1cccc(-c2ccc3c(ccc(O)c3-c3ccccc3)c2)c1 ZINC000040893964 183146962 /nfs/dbraw/zinc/14/69/62/183146962.db2.gz ZYOIQICRHUXCRL-UHFFFAOYSA-N 0 0 312.368 5.585 1 0 in-vivo DKAFRN C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CC[C@@]21CCCC(=O)O1 ZINC000040918884 183148809 /nfs/dbraw/zinc/14/88/09/183148809.db2.gz JFEVGYBOFUOWOA-DGYCAGFBSA-N 0 0 324.464 5.009 1 0 DKAFRN O=C(OC1CCCC1)N1c2ccccc2Sc2ccccc21 ZINC000040935202 134722412 /nfs/dbraw/zinc/72/24/12/134722412.db2.gz NFZAMIJBLBLKQJ-UHFFFAOYSA-N 0 0 311.406 5.369 1 0 in-vivo DKAFRN Clc1cccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)c1 ZINC000040937037 183148990 /nfs/dbraw/zinc/14/89/90/183148990.db2.gz XANJDGAUDBLJJB-HKUYNNGSSA-N 0 0 321.807 5.301 1 0 DKAFRN Clc1ccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)cc1 ZINC000040943676 183150007 /nfs/dbraw/zinc/15/00/07/183150007.db2.gz TUOVQRQAYQULRC-HKUYNNGSSA-N 0 0 321.807 5.301 1 0 DKAFRN c1ccc(Oc2ccc(Nc3ccnc4ccccc43)cc2)cc1 ZINC000040943689 183149558 /nfs/dbraw/zinc/14/95/58/183149558.db2.gz CHAYZJWZKSNHRQ-UHFFFAOYSA-N 0 0 312.372 5.771 1 0 DKAFRN FC(F)(F)c1ccc(CSc2nc3ccccc3o2)cc1 ZINC000040949277 183150958 /nfs/dbraw/zinc/15/09/58/183150958.db2.gz MMUJDPQJZJGRQB-UHFFFAOYSA-N 0 0 309.312 5.139 1 0 DKAFRN COc1ccc(-c2cnsc2-c2ccc(Cl)cc2)cc1 ZINC000040952122 183150550 /nfs/dbraw/zinc/15/05/50/183150550.db2.gz XGOLGQNTCHMSDA-UHFFFAOYSA-N 0 0 301.798 5.139 1 0 in-vivo DKAFRN Fc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1 ZINC000040972450 183153354 /nfs/dbraw/zinc/15/33/54/183153354.db2.gz POVDXWFXVWQPGY-HXUWFJFHSA-N 0 0 303.380 5.356 1 0 DKAFRN Fc1ccc(-c2ccc3c(c2)CCC[C@H]3c2ccncc2)cc1 ZINC000040972452 183153792 /nfs/dbraw/zinc/15/37/92/183153792.db2.gz POVDXWFXVWQPGY-FQEVSTJZSA-N 0 0 303.380 5.356 1 0 DKAFRN Oc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1F ZINC000040974048 183153359 /nfs/dbraw/zinc/15/33/59/183153359.db2.gz NMAVKSKFHMREEO-GOSISDBHSA-N 0 0 319.379 5.062 1 0 DKAFRN Oc1ccc(-c2ccc3c(c2)CCC[C@H]3c2ccncc2)cc1F ZINC000040974050 183153732 /nfs/dbraw/zinc/15/37/32/183153732.db2.gz NMAVKSKFHMREEO-SFHVURJKSA-N 0 0 319.379 5.062 1 0 DKAFRN CCC/C=C(\CCC)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC000040974330 183153832 /nfs/dbraw/zinc/15/38/32/183153832.db2.gz SNYASRAREISMNO-KEWOFRHOSA-N 0 0 301.474 5.417 1 0 DKAFRN c1cn([C@@H](Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cn1 ZINC000040975011 183153237 /nfs/dbraw/zinc/15/32/37/183153237.db2.gz TVOGKVRUROHUOE-QHCPKHFHSA-N 0 0 324.427 5.382 1 0 in-vivo DKAFRN c1cn([C@H](Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cn1 ZINC000040975013 183153809 /nfs/dbraw/zinc/15/38/09/183153809.db2.gz TVOGKVRUROHUOE-HSZRJFAPSA-N 0 0 324.427 5.382 1 0 in-vivo DKAFRN Oc1ccc(N(CCC2CCCCC2)c2ccc(O)cc2)cc1 ZINC000040975931 183153994 /nfs/dbraw/zinc/15/39/94/183153994.db2.gz ANNPLVAGFCRTIX-UHFFFAOYSA-N 0 0 311.425 5.206 1 0 DKAFRN C/C1=C\CC/C(C)=C/C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 ZINC000040976194 183153843 /nfs/dbraw/zinc/15/38/43/183153843.db2.gz SSBZLMMXFQMHDP-REDNKFHQSA-N 0 0 306.490 5.168 1 0 biogenic,in-vitro DKAFRN Fc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1 ZINC000040976508 183153708 /nfs/dbraw/zinc/15/37/08/183153708.db2.gz PHOBLPLUIYOPJE-UHFFFAOYSA-N 0 0 301.364 5.266 1 0 DKAFRN Fc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F ZINC000040976790 183153243 /nfs/dbraw/zinc/15/32/43/183153243.db2.gz DUHMMBQXSJRWRM-UHFFFAOYSA-N 0 0 319.354 5.405 1 0 DKAFRN CCCCCc1cc(O)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000040977011 183153724 /nfs/dbraw/zinc/15/37/24/183153724.db2.gz JFJAMLJGMDJCRJ-SFQUDFHCSA-N 0 0 316.485 6.066 1 0 DKAFRN CCC(CC)(c1ccc(-c2ccc(F)cc2)cc1)n1ccnc1 ZINC000040979162 183154494 /nfs/dbraw/zinc/15/44/94/183154494.db2.gz LBLFYGYIBIIOER-UHFFFAOYSA-N 0 0 308.400 5.253 1 0 DKAFRN Cc1ccc(-c2ssc(=O)c2-c2ccc(Cl)cc2)cc1 ZINC000040980138 183154727 /nfs/dbraw/zinc/15/47/27/183154727.db2.gz NLGIFTIQVVCDPR-UHFFFAOYSA-N 0 0 318.850 5.466 1 0 in-vivo DKAFRN COc1ccc2[nH]c(SCc3ccc4ccccc4c3)nc2c1 ZINC000040980223 183154330 /nfs/dbraw/zinc/15/43/30/183154330.db2.gz WSFARKDYYPRFAQ-UHFFFAOYSA-N 0 0 320.417 5.017 1 0 DKAFRN Clc1ccc2[nH]c3c(c2c1)S[C@H](c1ccccc1Cl)C3 ZINC000042919886 183318444 /nfs/dbraw/zinc/31/84/44/183318444.db2.gz UVWXETGJRKKABN-HNNXBMFYSA-N 0 0 320.244 5.864 1 0 DKAFRN Clc1ccc2[nH]c3c(c2c1)S[C@@H](c1ccccc1Cl)C3 ZINC000042919887 183318192 /nfs/dbraw/zinc/31/81/92/183318192.db2.gz UVWXETGJRKKABN-OAHLLOKOSA-N 0 0 320.244 5.864 1 0 DKAFRN CC[C@H](NC(=O)c1ccccc1C)c1ccc2ccccc2c1 ZINC000042920131 183318539 /nfs/dbraw/zinc/31/85/39/183318539.db2.gz FLAJIDWIIUVVEB-FQEVSTJZSA-N 0 0 303.405 5.029 1 0 DKAFRN CC[C@@H](NC(=O)c1ccccc1C)c1ccc2ccccc2c1 ZINC000042920132 183318261 /nfs/dbraw/zinc/31/82/61/183318261.db2.gz FLAJIDWIIUVVEB-HXUWFJFHSA-N 0 0 303.405 5.029 1 0 DKAFRN COc1ccc([C@H](Sc2ccccc2C)c2cccnc2)cc1 ZINC000042922128 183318197 /nfs/dbraw/zinc/31/81/97/183318197.db2.gz PMJSBVQQYXXWGS-FQEVSTJZSA-N 0 0 321.445 5.280 1 0 DKAFRN COc1ccc([C@@H](Sc2ccccc2C)c2cccnc2)cc1 ZINC000042922130 183318624 /nfs/dbraw/zinc/31/86/24/183318624.db2.gz PMJSBVQQYXXWGS-HXUWFJFHSA-N 0 0 321.445 5.280 1 0 DKAFRN COc1ccc(Nc2cc(C)c3c(C)c(C)sc3c2C)cc1 ZINC000042922308 183318560 /nfs/dbraw/zinc/31/85/60/183318560.db2.gz CNIUUQRJLDRYLL-UHFFFAOYSA-N 0 0 311.450 5.887 1 0 DKAFRN Fc1ccc([C@@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)cc1 ZINC000042923098 183318994 /nfs/dbraw/zinc/31/89/94/183318994.db2.gz QFYPUBREBGJKDD-HNNXBMFYSA-N 0 0 303.789 5.350 1 0 DKAFRN Fc1ccc([C@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)cc1 ZINC000042923101 183319287 /nfs/dbraw/zinc/31/92/87/183319287.db2.gz QFYPUBREBGJKDD-OAHLLOKOSA-N 0 0 303.789 5.350 1 0 DKAFRN Clc1ccc([C@@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)cc1 ZINC000042965312 183324274 /nfs/dbraw/zinc/32/42/74/183324274.db2.gz LLFPVUUZDIPVNH-HNNXBMFYSA-N 0 0 320.244 5.864 1 0 DKAFRN Clc1ccc([C@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)cc1 ZINC000042965314 183324469 /nfs/dbraw/zinc/32/44/69/183324469.db2.gz LLFPVUUZDIPVNH-OAHLLOKOSA-N 0 0 320.244 5.864 1 0 DKAFRN Fc1ccc2[nH]c3c(c2c1)S[C@H](c1ccc(Cl)cc1)C3 ZINC000042988872 183326118 /nfs/dbraw/zinc/32/61/18/183326118.db2.gz DBMHOWCQJAHDMC-HNNXBMFYSA-N 0 0 303.789 5.350 1 0 DKAFRN Fc1ccc2[nH]c3c(c2c1)S[C@@H](c1ccc(Cl)cc1)C3 ZINC000042988874 183326132 /nfs/dbraw/zinc/32/61/32/183326132.db2.gz DBMHOWCQJAHDMC-OAHLLOKOSA-N 0 0 303.789 5.350 1 0 DKAFRN c1cn(CCCCCCn2ccc3ccccc32)c2ccccc12 ZINC000043009730 183326867 /nfs/dbraw/zinc/32/68/67/183326867.db2.gz XLZUAKDSMJZORZ-UHFFFAOYSA-N 0 0 316.448 5.857 1 0 DKAFRN Cc1c2oc([C@@H]3CCCO3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043009851 183327462 /nfs/dbraw/zinc/32/74/62/183327462.db2.gz ZNRDTZHTMYUXEN-HNNXBMFYSA-N 0 0 300.398 5.005 1 0 DKAFRN Cc1c2oc([C@H]3CCCO3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043009854 183327870 /nfs/dbraw/zinc/32/78/70/183327870.db2.gz ZNRDTZHTMYUXEN-OAHLLOKOSA-N 0 0 300.398 5.005 1 0 DKAFRN Cc1c2oc(-c3ccncc3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043015976 183327595 /nfs/dbraw/zinc/32/75/95/183327595.db2.gz CWBRIQFHBKDQRW-UHFFFAOYSA-N 0 0 307.393 5.215 1 0 DKAFRN c1oc(-c2cccc(Oc3ccccc3)c2)nc1-c1ccccc1 ZINC000043017493 183329199 /nfs/dbraw/zinc/32/91/99/183329199.db2.gz HAOQIEQBQJCAMC-UHFFFAOYSA-N 0 0 313.356 5.801 1 0 DKAFRN Cc1c2oc(-c3cccnc3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043059801 183333005 /nfs/dbraw/zinc/33/30/05/183333005.db2.gz KAJWDQMYJRMLRD-UHFFFAOYSA-N 0 0 307.393 5.215 1 0 DKAFRN c1cn(CCCCCn2ccc3ccccc32)c2ccccc12 ZINC000043073358 183334286 /nfs/dbraw/zinc/33/42/86/183334286.db2.gz YYJZJNRCWKBQFQ-UHFFFAOYSA-N 0 0 302.421 5.467 1 0 DKAFRN Cc1c2oc(Cc3cccnc3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043074991 183334512 /nfs/dbraw/zinc/33/45/12/183334512.db2.gz DKFWULRQQXKCRK-UHFFFAOYSA-N 0 0 321.420 5.139 1 0 DKAFRN Cc1c2oc(-c3cccs3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043075898 183334270 /nfs/dbraw/zinc/33/42/70/183334270.db2.gz XHMBDABDYOJXSL-UHFFFAOYSA-N 0 0 312.434 5.882 1 0 DKAFRN Clc1ccc([C@H]2Cc3[nH]c4ccccc4c3S2)c(Cl)c1 ZINC000043076599 183334115 /nfs/dbraw/zinc/33/41/15/183334115.db2.gz GGIRCUPCTNWZIL-OAHLLOKOSA-N 0 0 320.244 5.864 1 0 DKAFRN Clc1ccc([C@@H]2Cc3[nH]c4ccccc4c3S2)c(Cl)c1 ZINC000043076602 183334570 /nfs/dbraw/zinc/33/45/70/183334570.db2.gz GGIRCUPCTNWZIL-HNNXBMFYSA-N 0 0 320.244 5.864 1 0 DKAFRN Cc1cc(-c2noc(-c3sccc3Cl)n2)ccc1Cl ZINC000043076773 183334375 /nfs/dbraw/zinc/33/43/75/183334375.db2.gz KPDIJLFFUDCTBZ-UHFFFAOYSA-N 0 0 311.193 5.080 1 0 DKAFRN Fc1ccc2[nH]c3c(c2c1)S[C@H](c1ccccc1Cl)C3 ZINC000043077965 183334135 /nfs/dbraw/zinc/33/41/35/183334135.db2.gz QWPWMCOROKIQND-HNNXBMFYSA-N 0 0 303.789 5.350 1 0 DKAFRN Fc1ccc2[nH]c3c(c2c1)S[C@@H](c1ccccc1Cl)C3 ZINC000043077968 183334630 /nfs/dbraw/zinc/33/46/30/183334630.db2.gz QWPWMCOROKIQND-OAHLLOKOSA-N 0 0 303.789 5.350 1 0 DKAFRN CC(C)c1ccc([C@@H]2Cc3[nH]c4ccc(F)cc4c3S2)cc1 ZINC000043077971 183334486 /nfs/dbraw/zinc/33/44/86/183334486.db2.gz URGCHRHTWHBQHZ-SFHVURJKSA-N 0 0 311.425 5.820 1 0 DKAFRN CC(C)c1ccc([C@H]2Cc3[nH]c4ccc(F)cc4c3S2)cc1 ZINC000043077974 183334065 /nfs/dbraw/zinc/33/40/65/183334065.db2.gz URGCHRHTWHBQHZ-GOSISDBHSA-N 0 0 311.425 5.820 1 0 DKAFRN COc1ccc([C@H](Sc2ccc(C)cc2)c2ccccn2)cc1 ZINC000043078311 183334800 /nfs/dbraw/zinc/33/48/00/183334800.db2.gz VGFOOJYBHQGXCF-FQEVSTJZSA-N 0 0 321.445 5.280 1 0 DKAFRN COc1ccc([C@@H](Sc2ccc(C)cc2)c2ccccn2)cc1 ZINC000043078314 183335418 /nfs/dbraw/zinc/33/54/18/183335418.db2.gz VGFOOJYBHQGXCF-HXUWFJFHSA-N 0 0 321.445 5.280 1 0 DKAFRN CC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 ZINC000043078778 183334902 /nfs/dbraw/zinc/33/49/02/183334902.db2.gz UASLZUHZQHHBGM-UHFFFAOYSA-N 0 0 312.372 5.100 1 0 DKAFRN COc1ccc([C@H](Sc2ccc(C)cc2)c2cccnc2)cc1 ZINC000043078897 183334792 /nfs/dbraw/zinc/33/47/92/183334792.db2.gz HJESHSUUGLFUSM-FQEVSTJZSA-N 0 0 321.445 5.280 1 0 DKAFRN COc1ccc([C@@H](Sc2ccc(C)cc2)c2cccnc2)cc1 ZINC000043078900 183334900 /nfs/dbraw/zinc/33/49/00/183334900.db2.gz HJESHSUUGLFUSM-HXUWFJFHSA-N 0 0 321.445 5.280 1 0 DKAFRN Cc1c2oc(-c3ccccn3)cc2c2c(c1C)OC(C)(C)CC2 ZINC000043123457 183338824 /nfs/dbraw/zinc/33/88/24/183338824.db2.gz LIXNPPZFMSZBQL-UHFFFAOYSA-N 0 0 307.393 5.215 1 0 DKAFRN C(=C\c1ccc2ccccc2c1)\c1ccc2c(c1)-c1ccccc1C2 ZINC000043967874 183391568 /nfs/dbraw/zinc/39/15/68/183391568.db2.gz SYLRFFUBIKMYAU-KTKRTIGZSA-N 0 0 318.419 6.581 1 0 DKAFRN FC(F)(F)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000044005166 183392151 /nfs/dbraw/zinc/39/21/51/183392151.db2.gz QRROBKNTNKXJDC-UHFFFAOYSA-N 0 0 324.345 6.208 1 0 DKAFRN Cc1ccc(-c2ccc3occ(-c4ccc([C@H](C)O)cc4)c3c2)o1 ZINC000045285868 183495306 /nfs/dbraw/zinc/49/53/06/183495306.db2.gz MGMVBUGQYOEFEX-AWEZNQCLSA-N 0 0 318.372 5.722 1 0 DKAFRN CCCCC[C@@]1(C2=CCc3ccccc32)Cc2ccccc2C1=O ZINC000045286950 183494877 /nfs/dbraw/zinc/49/48/77/183494877.db2.gz JJYOJKDRAYYJHQ-QHCPKHFHSA-N 0 0 316.444 5.632 1 0 DKAFRN CC/C=C/C[C@@]1(C2=CCc3ccccc32)Cc2ccccc2C1=O ZINC000045291346 183495841 /nfs/dbraw/zinc/49/58/41/183495841.db2.gz YJANIKFAHOJHHZ-UXUAMCOBSA-N 0 0 314.428 5.408 1 0 DKAFRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)CC(C)=C2 ZINC000045303319 183496648 /nfs/dbraw/zinc/49/66/48/183496648.db2.gz GKAMZDTUZCJURA-LJQANCHMSA-N 0 0 300.405 5.120 1 0 DKAFRN c1c2cccc(-c3nc4cc[nH]cc-4n3)c2oc1-c1ccccc1 ZINC000045334967 183498475 /nfs/dbraw/zinc/49/84/75/183498475.db2.gz KMLJLOGFPYRKEA-UHFFFAOYSA-N 0 0 311.344 5.038 1 0 DKAFRN CCCCCc1cc(N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000045336700 183498420 /nfs/dbraw/zinc/49/84/20/183498420.db2.gz MKHRIWOFCWQUPT-IAGOWNOFSA-N 0 0 313.485 5.612 1 0 DKAFRN Cc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccsc2)n1 ZINC000045338201 183498146 /nfs/dbraw/zinc/49/81/46/183498146.db2.gz PAVGNYTXQXILSG-UHFFFAOYSA-N 0 0 323.442 6.107 1 0 DKAFRN Cc1cc2cc(OCc3ccccc3)cc3oc(C)cc(n1)c23 ZINC000045348518 183499811 /nfs/dbraw/zinc/49/98/11/183499811.db2.gz IPRFHEIZTPBBAF-UHFFFAOYSA-N 0 0 303.361 5.177 1 0 DKAFRN C/C(=C\COC=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000045349799 183500011 /nfs/dbraw/zinc/50/00/11/183500011.db2.gz MMNBWIOQFVFKGE-GWBOOFJZSA-N 0 0 324.549 6.545 1 0 DKAFRN CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C ZINC000045350463 183499953 /nfs/dbraw/zinc/49/99/53/183499953.db2.gz OIKLWYPNJDWKNL-DQSYDGHTSA-N 0 0 314.469 5.283 1 0 DKAFRN C/C=C1\CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C ZINC000045352269 183499617 /nfs/dbraw/zinc/49/96/17/183499617.db2.gz YCOIXZXLPKORPQ-GRVMBTPOSA-N 0 0 312.453 5.203 1 0 DKAFRN Cc1cccc2c1/C(=C/c1ccc(-c3ccccc3)cc1)C(=O)N2 ZINC000045356629 183500934 /nfs/dbraw/zinc/50/09/34/183500934.db2.gz HQJAWNRTEQHQRM-RGEXLXHISA-N 0 0 311.384 5.155 1 0 DKAFRN Cc1ccc(C)c(NC(=O)c2cccc3c2Cc2ccccc2-3)c1 ZINC000045364955 183501761 /nfs/dbraw/zinc/50/17/61/183501761.db2.gz SLCJVKNKYGAUDT-UHFFFAOYSA-N 0 0 313.400 5.127 1 0 DKAFRN c1csc(-c2cc(-c3ccoc3)cc(-c3cccs3)n2)c1 ZINC000045367669 183501890 /nfs/dbraw/zinc/50/18/90/183501890.db2.gz HCNMYINNCZEXQR-UHFFFAOYSA-N 0 0 309.415 5.799 1 0 in-vivo DKAFRN Cc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccco2)n1 ZINC000045368954 183502268 /nfs/dbraw/zinc/50/22/68/183502268.db2.gz LGZMBKHTWNQOAD-UHFFFAOYSA-N 0 0 307.374 5.639 1 0 DKAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C)CC[C@H]12 ZINC000045389996 183503423 /nfs/dbraw/zinc/50/34/23/183503423.db2.gz BUVSDORPNUVONA-NHGFTMMOSA-N 0 0 318.501 5.208 1 0 DKAFRN c1ccc(CCC2=NO[C@H](Cc3ccc4ccccc4c3)C2)cc1 ZINC000045495526 183511582 /nfs/dbraw/zinc/51/15/82/183511582.db2.gz MGQWOQQWBFWUAL-JOCHJYFZSA-N 0 0 315.416 5.160 1 0 DKAFRN CSc1ccc([C@@](C)(O)/C=C/[C@H]2C(C)=CCCC2(C)C)cc1 ZINC000049049773 183706656 /nfs/dbraw/zinc/70/66/56/183706656.db2.gz QYGBYADKCYWHBD-WECMUCOYSA-N 0 0 316.510 5.555 1 0 DKAFRN CCOc1ccc([C@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000049066906 183709749 /nfs/dbraw/zinc/70/97/49/183709749.db2.gz YJSXYFOJPIAHRH-UACNQURRSA-N 0 0 314.469 5.376 1 0 DKAFRN CCOc1ccc([C@@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000049066908 183709497 /nfs/dbraw/zinc/70/94/97/183709497.db2.gz YJSXYFOJPIAHRH-AXDNMFEOSA-N 0 0 314.469 5.376 1 0 DKAFRN Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000049068772 183709933 /nfs/dbraw/zinc/70/99/33/183709933.db2.gz LARDQALKCMOPHD-UHFFFAOYSA-N 0 0 323.395 5.788 1 0 in-vivo DKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000049069050 183709911 /nfs/dbraw/zinc/70/99/11/183709911.db2.gz PDZNLJVWUYVZLD-AYOQOUSVSA-N 0 0 315.501 5.175 1 0 DKAFRN Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccco3)n2)c1 ZINC000049071069 183710117 /nfs/dbraw/zinc/71/01/17/183710117.db2.gz CYYONTBOQHHDLF-UHFFFAOYSA-N 0 0 313.356 5.381 1 0 in-vivo DKAFRN Oc1ccc(-c2cc(-c3ccco3)nc(-c3ccccc3)c2)cc1 ZINC000049088149 183711956 /nfs/dbraw/zinc/71/19/56/183711956.db2.gz KJLZPCCTEPUQBQ-UHFFFAOYSA-N 0 0 313.356 5.381 1 0 DKAFRN Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccncc3)n2)c1 ZINC000049088246 183711759 /nfs/dbraw/zinc/71/17/59/183711759.db2.gz CBYVMWRLWYKHTF-UHFFFAOYSA-N 0 0 324.383 5.183 1 0 in-vivo DKAFRN O=C(c1ccc(Cl)cc1)c1cc2ccccc2oc1=S ZINC000049803330 183759668 /nfs/dbraw/zinc/75/96/68/183759668.db2.gz ZQUWETBLMZAOKG-UHFFFAOYSA-N 0 0 300.766 5.047 1 0 DKAFRN C(=C/c1ccc2ccccc2n1)\c1cc(-c2ccccc2)cs1 ZINC000049820359 183760074 /nfs/dbraw/zinc/76/00/74/183760074.db2.gz WZWODGMVQCWNAS-OUKQBFOZSA-N 0 0 313.425 6.134 1 0 DKAFRN C[C@H](Cc1ccccn1)c1nc2ccccc2n1C1CCCCC1 ZINC000053243860 183894844 /nfs/dbraw/zinc/89/48/44/183894844.db2.gz MNVVORQQWIDKMM-MRXNPFEDSA-N 0 0 319.452 5.283 1 0 DKAFRN S=c1oc2ccc(Cl)cc2c(=S)n1Cc1ccccc1 ZINC000053246989 183894202 /nfs/dbraw/zinc/89/42/02/183894202.db2.gz SJFHKASOEYOKJO-UHFFFAOYSA-N 0 0 319.838 5.395 1 0 DKAFRN CC(C)=C(c1ccncc1)c1ccc(-c2cccc(N)c2)cc1 ZINC000053296149 183897769 /nfs/dbraw/zinc/89/77/69/183897769.db2.gz ZBBONVVBPSZXJW-UHFFFAOYSA-N 0 0 300.405 5.173 1 0 DKAFRN CCc1ccc(Nc2ccnc3ccc(-c4ccccc4)cc32)cc1 ZINC000058502045 184120792 /nfs/dbraw/zinc/12/07/92/184120792.db2.gz GYNPHGRXVZWBTC-UHFFFAOYSA-N 0 0 324.427 6.208 1 0 DKAFRN Clc1cc(-c2csc(-c3cccnc3)n2)c(Cl)s1 ZINC000058506323 184120841 /nfs/dbraw/zinc/12/08/41/184120841.db2.gz FXBVJTXAZSZYQD-UHFFFAOYSA-N 0 0 313.234 5.240 1 0 DKAFRN CCC/C=C1\CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000058533432 184121261 /nfs/dbraw/zinc/12/12/61/184121261.db2.gz LIFOFJDYOCSIIT-QSPTVBTMSA-N 0 0 310.481 5.975 1 0 DKAFRN CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000058538480 184122231 /nfs/dbraw/zinc/12/22/31/184122231.db2.gz GZSDLXNECOWUFY-FUHWJXTLSA-N 0 0 318.501 5.572 1 0 in-vivo DKAFRN CC[C@H](c1ccc(-c2ccc(OC)cc2)cc1)c1cccnc1 ZINC000058568894 184122964 /nfs/dbraw/zinc/12/29/64/184122964.db2.gz SDMSAVTUYNKHPM-OAQYLSRUSA-N 0 0 303.405 5.299 1 0 DKAFRN Oc1ccc2cc(-c3ccc(Cc4ccncc4)cc3)ccc2c1 ZINC000058569305 184122345 /nfs/dbraw/zinc/12/23/45/184122345.db2.gz OCQPVXWUPNNJIV-UHFFFAOYSA-N 0 0 311.384 5.198 1 0 in-vivo DKAFRN CCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000058575038 184122822 /nfs/dbraw/zinc/12/28/22/184122822.db2.gz GZSDLXNECOWUFY-WMZOPIPTSA-N 0 0 318.501 5.572 1 0 in-vivo DKAFRN FC(F)(F)Oc1ccccc1-c1cccc(-c2cscn2)c1 ZINC000058576073 184122600 /nfs/dbraw/zinc/12/26/00/184122600.db2.gz AJYWSJBYBSJCBJ-UHFFFAOYSA-N 0 0 321.323 5.376 1 0 in-vivo DKAFRN CC[C@@H](c1ccncc1)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000058581886 184123455 /nfs/dbraw/zinc/12/34/55/184123455.db2.gz DURIQWOMVBEIPW-OAQYLSRUSA-N 0 0 303.405 5.299 1 0 in-vivo DKAFRN CCCCn1c2cccc(OC)c2nc1-c1ccc(C(C)C)cc1 ZINC000058582254 184123476 /nfs/dbraw/zinc/12/34/76/184123476.db2.gz LVJOETHJNLSUOP-UHFFFAOYSA-N 0 0 322.452 5.635 1 0 DKAFRN CCCn1c(-c2ccc(C(C)C)cc2)nc2c1c(OC)ccc2C ZINC000058583249 184123595 /nfs/dbraw/zinc/12/35/95/184123595.db2.gz YIRDIZCNLFGHNH-UHFFFAOYSA-N 0 0 322.452 5.554 1 0 DKAFRN Cc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1 ZINC000058583484 184123649 /nfs/dbraw/zinc/12/36/49/184123649.db2.gz ZGGZVRHQQNXZCW-UHFFFAOYSA-N 0 0 319.282 5.216 1 0 DKAFRN c1coc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c1 ZINC000059116534 184134792 /nfs/dbraw/zinc/13/47/92/184134792.db2.gz OZBBMWRTARCJOD-UHFFFAOYSA-N 0 0 312.372 5.422 1 0 DKAFRN CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 ZINC000059228564 184136088 /nfs/dbraw/zinc/13/60/88/184136088.db2.gz FVGZXPPPHOJKSK-UHFFFAOYSA-N 0 0 312.453 5.601 1 0 DKAFRN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccccc1 ZINC000059428987 184138247 /nfs/dbraw/zinc/13/82/47/184138247.db2.gz GYRJMFJIIQWJSF-JOCHJYFZSA-N 0 0 312.416 5.678 1 0 DKAFRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccccc1 ZINC000059428988 184138289 /nfs/dbraw/zinc/13/82/89/184138289.db2.gz GYRJMFJIIQWJSF-QFIPXVFZSA-N 0 0 312.416 5.678 1 0 DKAFRN CC[C@@H](c1ccc(-c2ccc(OC)cc2)cc1)c1cccnc1 ZINC000062224899 184224020 /nfs/dbraw/zinc/22/40/20/184224020.db2.gz SDMSAVTUYNKHPM-NRFANRHFSA-N 0 0 303.405 5.299 1 0 DKAFRN CC[C@H](c1ccncc1)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000062224903 184224143 /nfs/dbraw/zinc/22/41/43/184224143.db2.gz DURIQWOMVBEIPW-NRFANRHFSA-N 0 0 303.405 5.299 1 0 in-vivo DKAFRN CCCCCC(=O)CCCCCCCCCCCC(=O)OC ZINC000064220110 184293378 /nfs/dbraw/zinc/29/33/78/184293378.db2.gz PJELCFQUQJJWGD-UHFFFAOYSA-N 0 0 312.494 5.600 1 0 DKAFRN Clc1ccc(-c2nnc(-c3c[nH]c4ccccc34)s2)cc1 ZINC000064426599 184296556 /nfs/dbraw/zinc/29/65/56/184296556.db2.gz PYPQHNUPHQSFDN-UHFFFAOYSA-N 0 0 311.797 5.007 1 0 DKAFRN Cc1cccc(C)c1Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000064437118 184296640 /nfs/dbraw/zinc/29/66/40/184296640.db2.gz NVSHUMUGNUAIFE-UHFFFAOYSA-N 0 0 315.829 5.219 1 0 DKAFRN Cc1cccc(C)c1Nc1nnc(-c2ccccc2Cl)s1 ZINC000064447741 184297590 /nfs/dbraw/zinc/29/75/90/184297590.db2.gz RLHODIOPOCIQRT-UHFFFAOYSA-N 0 0 315.829 5.219 1 0 DKAFRN COc1ccc(-c2ccc3ccccc3c2)c2c1C(C)=N[C@H](C)C2 ZINC000064448072 184297750 /nfs/dbraw/zinc/29/77/50/184297750.db2.gz FGDIEFQCFMBZNH-CQSZACIVSA-N 0 0 315.416 5.269 1 0 DKAFRN Cc1cccc(Nc2nnc(-c3ccc(Cl)cc3)s2)c1C ZINC000064448755 184297729 /nfs/dbraw/zinc/29/77/29/184297729.db2.gz MFZLDFGYSZEWDW-UHFFFAOYSA-N 0 0 315.829 5.219 1 0 DKAFRN Cc1ccc(Nc2nnc(-c3cccc(Cl)c3)s2)c(C)c1 ZINC000064453894 184297592 /nfs/dbraw/zinc/29/75/92/184297592.db2.gz YRLNXPLSTPESGI-UHFFFAOYSA-N 0 0 315.829 5.219 1 0 DKAFRN COc1ccc(-c2cccc3ccccc32)c2c1C(C)=N[C@H](C)C2 ZINC000064454458 184297782 /nfs/dbraw/zinc/29/77/82/184297782.db2.gz CNJQLNSIIACDJD-CQSZACIVSA-N 0 0 315.416 5.269 1 0 DKAFRN Clc1ccc(/C=C/C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000064485652 184298785 /nfs/dbraw/zinc/29/87/85/184298785.db2.gz XZVRUGOGVRGTGO-OWOJBTEDSA-N 0 0 303.188 5.483 1 0 DKAFRN Oc1ccc(/C=C/c2ccc(/C=C/c3cccc(O)c3)cc2)cc1 ZINC000064539048 184299215 /nfs/dbraw/zinc/29/92/15/184299215.db2.gz ZQLWOGQQESKMDH-BNFZFUHLSA-N 0 0 314.384 5.439 1 0 DKAFRN CCCCCC=Cc1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O ZINC000064539931 184299148 /nfs/dbraw/zinc/29/91/48/184299148.db2.gz RYVJVYUTUSJURA-CMDGGOBGSA-N 0 0 319.832 5.092 1 0 DKAFRN O=c1c(/C=C/C=C/c2ccc(Cl)cc2)coc2ccccc12 ZINC000064553805 184299428 /nfs/dbraw/zinc/29/94/28/184299428.db2.gz BUXQERHEJACRBY-IJIVKGSJSA-N 0 0 308.764 5.173 1 0 DKAFRN Clc1ccc(CNc2ccnc3oc4ccccc4c32)cc1 ZINC000064559058 184299566 /nfs/dbraw/zinc/29/95/66/184299566.db2.gz UAKYYEQJRKJUBT-UHFFFAOYSA-N 0 0 308.768 5.247 1 0 DKAFRN c1ccc2c(c1)oc1nccc(NCc3cccc4ccccc43)c21 ZINC000064559364 184299548 /nfs/dbraw/zinc/29/95/48/184299548.db2.gz YYQLLFCNZXWBJQ-UHFFFAOYSA-N 0 0 324.383 5.746 1 0 DKAFRN Fc1cccc(Cl)c1-c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000064559725 184299412 /nfs/dbraw/zinc/29/94/12/184299412.db2.gz UKPCWBJPYZRHKN-UHFFFAOYSA-N 0 0 307.155 5.190 1 0 DKAFRN O=c1c(/C=C/c2ccc(Cl)cc2)coc2ccc(Cl)cc12 ZINC000064564429 184300118 /nfs/dbraw/zinc/30/01/18/184300118.db2.gz OHESBOIBLYTOJY-DAFODLJHSA-N 0 0 317.171 5.270 1 0 DKAFRN O=c1c(/C=C/C=C/c2ccccc2)coc2ccc(Cl)cc12 ZINC000064564432 184300335 /nfs/dbraw/zinc/30/03/35/184300335.db2.gz RSMDNHXDVZVDBH-KBXRYBNXSA-N 0 0 308.764 5.173 1 0 DKAFRN Clc1cccc(CNc2ccnc3oc4ccccc4c32)c1 ZINC000064573089 184300249 /nfs/dbraw/zinc/30/02/49/184300249.db2.gz GSEZHGJQFPOIDD-UHFFFAOYSA-N 0 0 308.768 5.247 1 0 DKAFRN COc1ccc([C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000066066357 184386557 /nfs/dbraw/zinc/38/65/57/184386557.db2.gz BTEQZWJLBYEBLQ-JOCHJYFZSA-N 0 0 313.400 5.357 1 0 DKAFRN COc1ccc([C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000066066358 184386356 /nfs/dbraw/zinc/38/63/56/184386356.db2.gz BTEQZWJLBYEBLQ-QFIPXVFZSA-N 0 0 313.400 5.357 1 0 DKAFRN O=C(c1cc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000066074243 184386859 /nfs/dbraw/zinc/38/68/59/184386859.db2.gz IIURWIKPXPVONX-UHFFFAOYSA-N 0 0 313.356 5.191 1 0 DKAFRN Cc1cccc2cc(CNc3ccccc3Cl)c(Cl)nc12 ZINC000066074784 184386706 /nfs/dbraw/zinc/38/67/06/184386706.db2.gz GUMVZIFOPKIEGP-UHFFFAOYSA-N 0 0 317.219 5.462 1 0 DKAFRN c1sc(Nc2cc3ccccc3cn2)nc1-c1ccccc1 ZINC000066075455 184387284 /nfs/dbraw/zinc/38/72/84/184387284.db2.gz ZNJMFSDNWYLUGT-UHFFFAOYSA-N 0 0 303.390 5.102 1 0 DKAFRN Cc1cccc2cc(CNc3cccc(Cl)c3)c(Cl)nc12 ZINC000066076835 184387100 /nfs/dbraw/zinc/38/71/00/184387100.db2.gz RFXSUORSQYJOKM-UHFFFAOYSA-N 0 0 317.219 5.462 1 0 DKAFRN Cc1cccc2cc(CNc3ccc(Cl)cc3)c(Cl)nc12 ZINC000066079074 184387756 /nfs/dbraw/zinc/38/77/56/184387756.db2.gz HPGVRJZITWNCQH-UHFFFAOYSA-N 0 0 317.219 5.462 1 0 DKAFRN CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC(C)C ZINC000066079551 184387566 /nfs/dbraw/zinc/38/75/66/184387566.db2.gz JLATWNWMHRJDIY-AGRJPVHOSA-N 0 0 319.533 6.101 1 0 DKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC/C(C)=C/CC[C@@H]2CO[C@@H](O)[C@@H]21 ZINC000066079606 184387661 /nfs/dbraw/zinc/38/76/61/184387661.db2.gz NMBAONOLUPHOQS-KZAHVAOUSA-N 0 0 306.490 5.086 1 0 DKAFRN Cc1cc(C2=C(c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2S3)on1 ZINC000066099443 184389354 /nfs/dbraw/zinc/38/93/54/184389354.db2.gz UNLVZBINAUAFIH-CJNGLKHVSA-N 0 0 317.841 5.215 1 0 DKAFRN Cc1cc(C2=C(c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2S3)on1 ZINC000066099445 184389257 /nfs/dbraw/zinc/38/92/57/184389257.db2.gz UNLVZBINAUAFIH-XJKSGUPXSA-N 0 0 317.841 5.215 1 0 DKAFRN Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)S3)on1 ZINC000066100238 184388940 /nfs/dbraw/zinc/38/89/40/184388940.db2.gz XSRDSAWNNVBILO-TXCZRRACSA-N 0 0 319.857 5.172 1 0 DKAFRN Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)cc2)S3)on1 ZINC000066100240 184389138 /nfs/dbraw/zinc/38/91/38/184389138.db2.gz XSRDSAWNNVBILO-XOSAIJSUSA-N 0 0 319.857 5.172 1 0 DKAFRN CCOc1c(-c2occ(C)c2COC)ccc2c(CC)cccc21 ZINC000066101089 184388973 /nfs/dbraw/zinc/38/89/73/184388973.db2.gz NNLBLYJNUXVMIO-UHFFFAOYSA-N 0 0 324.420 5.516 1 0 DKAFRN c1cn(Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2)cn1 ZINC000066101897 184389745 /nfs/dbraw/zinc/38/97/45/184389745.db2.gz FIWGVWWEORUFCL-UHFFFAOYSA-N 0 0 310.400 5.265 1 0 DKAFRN Oc1cccc(-c2ccc3c(ccc(O)c3-c3ccoc3)c2)c1 ZINC000066103268 184389908 /nfs/dbraw/zinc/38/99/08/184389908.db2.gz JSDSGVSHOBWCCM-UHFFFAOYSA-N 0 0 302.329 5.178 1 0 DKAFRN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCC1 ZINC000066103351 184389879 /nfs/dbraw/zinc/38/98/79/184389879.db2.gz NENSJWMCUTWPHW-UHFFFAOYSA-N 0 0 317.436 5.426 1 0 DKAFRN Clc1ccc2nc3c(c(-c4ccccc4Cl)c2c1)CCO3 ZINC000066104493 184389978 /nfs/dbraw/zinc/38/99/78/184389978.db2.gz WSBLFHVZURHTOZ-UHFFFAOYSA-N 0 0 316.187 5.144 1 0 DKAFRN Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(Cl)cc2)S3)on1 ZINC000066105101 184389560 /nfs/dbraw/zinc/38/95/60/184389560.db2.gz XSRDSAWNNVBILO-YQFWSFKMSA-N 0 0 319.857 5.172 1 0 DKAFRN Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@H]2c2ccc(Cl)cc2)S3)on1 ZINC000066105103 184389584 /nfs/dbraw/zinc/38/95/84/184389584.db2.gz XSRDSAWNNVBILO-XJNFMUPTSA-N 0 0 319.857 5.172 1 0 DKAFRN CCc1cccc2c1ccc(-c1occ(C)c1COC)c2OC ZINC000066113465 184390848 /nfs/dbraw/zinc/39/08/48/184390848.db2.gz LCMDCQDEUQXLAF-UHFFFAOYSA-N 0 0 310.393 5.126 1 0 DKAFRN CCOCc1c(C)coc1-c1ccc2c(CC)cccc2c1OC ZINC000066113467 184390324 /nfs/dbraw/zinc/39/03/24/184390324.db2.gz XNOAMHGVYQCGGN-UHFFFAOYSA-N 0 0 324.420 5.516 1 0 DKAFRN CCC(CC)c1cc(/C=C/C=C/c2cc(O)cc(O)c2)ccc1O ZINC000066251437 184398869 /nfs/dbraw/zinc/39/88/69/184398869.db2.gz ZRXPPULFJNXLEI-KQQUZDAGSA-N 0 0 324.420 5.434 1 0 DKAFRN C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c3ccc(O)cc3oc21 ZINC000066251480 184398880 /nfs/dbraw/zinc/39/88/80/184398880.db2.gz HSGLIAUFPWNLPF-GTXQTCRKSA-N 0 0 312.453 6.120 1 0 DKAFRN CC[C@H]1CCC[C@@]2(C)C1=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000066263808 184399827 /nfs/dbraw/zinc/39/98/27/184399827.db2.gz PRIOAUOJGJMPEM-JPHGXWTRSA-N 0 0 300.486 5.545 1 0 DKAFRN CC1(C)CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C ZINC000069482000 560078443 /nfs/dbraw/zinc/07/84/43/560078443.db2.gz BKBRVSACWJHOFO-NQDKFLQJSA-N 0 0 304.518 5.416 1 0 biogenic,in-vitro DKAFRN CC1(C)CC[C@@]23C[C@@H]1C[C@@H]2CC[C@@H]1C(C)(C)C[C@H](O)C[C@@]13C ZINC000069482003 560078432 /nfs/dbraw/zinc/07/84/32/560078432.db2.gz LRMJWCLZLSHXJA-XYNCURNNSA-N 0 0 304.518 5.416 1 0 biogenic,in-vitro DKAFRN CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CCCc1ccoc1 ZINC000069482399 290941493 /nfs/dbraw/zinc/94/14/93/290941493.db2.gz WFBDEWOEQGWISP-TZMRYXNNSA-N 0 0 316.485 5.372 1 0 biogenic,in-vitro DKAFRN CCCCC[C@@H]1C[C@H]1C[C@@H]1C[C@H]1CCCCCCCC(=O)OC ZINC000070455437 560047269 /nfs/dbraw/zinc/04/72/69/560047269.db2.gz WSVAMWHCPDAWFM-ZRNYENFQSA-N 0 0 322.533 6.133 1 0 biogenic,in-vitro DKAFRN CCCCCC[C@@H]1C[C@H]1CCCCCCCCCC(=O)OC ZINC000070455442 560047281 /nfs/dbraw/zinc/04/72/81/560047281.db2.gz HASAQWANQLNRRS-RTBURBONSA-N 0 0 310.522 6.277 1 0 biogenic,in-vitro DKAFRN Cc1c2ccccc2n2c1[C@H](c1ccco1)Nc1ccccc1-2 ZINC000071331244 190958860 /nfs/dbraw/zinc/95/88/60/190958860.db2.gz WTYBTQAXHOQFRY-IBGZPJMESA-N 0 0 300.361 5.047 1 0 DKAFRN CC(C)C[C@H](c1c[nH]c2ccccc21)N(O)Cc1ccccc1 ZINC000071332452 190959249 /nfs/dbraw/zinc/95/92/49/190959249.db2.gz LWTIOSFRNVNGCK-HXUWFJFHSA-N 0 0 308.425 5.147 1 0 DKAFRN Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)o2)c1 ZINC000071333574 190959231 /nfs/dbraw/zinc/95/92/31/190959231.db2.gz FDAYNZPRBYZBIV-UHFFFAOYSA-N 0 0 319.404 5.433 1 0 DKAFRN Cc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1 ZINC000071340510 190960153 /nfs/dbraw/zinc/96/01/53/190960153.db2.gz CMGSSJWKGPOZDK-UHFFFAOYSA-N 0 0 311.406 5.186 1 0 DKAFRN Cc1cccc(C)c1NC(=O)c1ccc(-c2c(C)cccc2C)o1 ZINC000071341587 190961552 /nfs/dbraw/zinc/96/15/52/190961552.db2.gz JNXQDWUMFRHMFE-UHFFFAOYSA-N 0 0 319.404 5.433 1 0 DKAFRN Cc1cccc2c1cc1n2-c2ccccc2N[C@@]1(C)c1ccccc1 ZINC000071342020 190961006 /nfs/dbraw/zinc/96/10/06/190961006.db2.gz SGODQDMZFCFTEV-QHCPKHFHSA-N 0 0 324.427 5.628 1 0 DKAFRN Cn1ccc2c1c1c(cc2/C=C/c2ccc(F)cc2)[C@H]2CC[C@@H]1O2 ZINC000072102784 191036715 /nfs/dbraw/zinc/03/67/15/191036715.db2.gz UOABJNIFBBMELE-XXTOLPLPSA-N 0 0 319.379 5.394 1 0 DKAFRN Cn1ccc2c1c1c(cc2/C=C/c2ccc(F)cc2)[C@@H]2CC[C@H]1O2 ZINC000072102785 191036553 /nfs/dbraw/zinc/03/65/53/191036553.db2.gz UOABJNIFBBMELE-RESZCWNXSA-N 0 0 319.379 5.394 1 0 DKAFRN CC(C)c1ccc(NCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000072103548 191036603 /nfs/dbraw/zinc/03/66/03/191036603.db2.gz IXICAGMWTDRVSX-UHFFFAOYSA-N 0 0 310.372 5.216 1 0 DKAFRN Cc1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 ZINC000072107260 191037448 /nfs/dbraw/zinc/03/74/48/191037448.db2.gz OOHOVJKNQNTSOG-QFIPXVFZSA-N 0 0 323.480 5.324 1 0 DKAFRN Cc1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 ZINC000072107261 191037868 /nfs/dbraw/zinc/03/78/68/191037868.db2.gz OOHOVJKNQNTSOG-JOCHJYFZSA-N 0 0 323.480 5.324 1 0 DKAFRN Cc1ccccc1NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000072107460 191038347 /nfs/dbraw/zinc/03/83/47/191038347.db2.gz NKRRCKNCFVIFKN-QFIPXVFZSA-N 0 0 323.480 5.324 1 0 DKAFRN Cc1ccccc1NCC[C@@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000072107461 191037641 /nfs/dbraw/zinc/03/76/41/191037641.db2.gz NKRRCKNCFVIFKN-JOCHJYFZSA-N 0 0 323.480 5.324 1 0 DKAFRN CC1(C)C[C@@](CCNc2ccccc2)(c2ccccc2)CCO1 ZINC000072107462 191038166 /nfs/dbraw/zinc/03/81/66/191038166.db2.gz MFKROIOBNYADQQ-NRFANRHFSA-N 0 0 309.453 5.016 1 0 DKAFRN CC1(C)C[C@](CCNc2ccccc2)(c2ccccc2)CCO1 ZINC000072107463 191038230 /nfs/dbraw/zinc/03/82/30/191038230.db2.gz MFKROIOBNYADQQ-OAQYLSRUSA-N 0 0 309.453 5.016 1 0 DKAFRN Cc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000072107567 191037565 /nfs/dbraw/zinc/03/75/65/191037565.db2.gz BLXSCTXCDYHAGY-QFIPXVFZSA-N 0 0 323.480 5.324 1 0 DKAFRN Cc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000072107568 191037709 /nfs/dbraw/zinc/03/77/09/191037709.db2.gz BLXSCTXCDYHAGY-JOCHJYFZSA-N 0 0 323.480 5.324 1 0 DKAFRN CCCCn1c2ccccc2c2cc(-c3ccccc3)oc(=O)c21 ZINC000072108634 191038315 /nfs/dbraw/zinc/03/83/15/191038315.db2.gz XWZDAOJRKGKEQJ-UHFFFAOYSA-N 0 0 317.388 5.215 1 0 DKAFRN Cc1ccc(NC(=O)c2cc(C(C)C)cc(C(C)C)c2O)cc1 ZINC000072108933 191038121 /nfs/dbraw/zinc/03/81/21/191038121.db2.gz OWFIDVMOOPWGNR-UHFFFAOYSA-N 0 0 311.425 5.200 1 0 DKAFRN CN(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000072109922 191038331 /nfs/dbraw/zinc/03/83/31/191038331.db2.gz MBTGVXWTJUAQJY-QFIPXVFZSA-N 0 0 323.480 5.040 1 0 DKAFRN CN(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000072109923 191037672 /nfs/dbraw/zinc/03/76/72/191037672.db2.gz MBTGVXWTJUAQJY-JOCHJYFZSA-N 0 0 323.480 5.040 1 0 DKAFRN CC1(C)C[C@](CCNc2ccccc2)(c2cccs2)CCO1 ZINC000072112014 184930750 /nfs/dbraw/zinc/93/07/50/184930750.db2.gz WPSPLJVSEOCOIW-LJQANCHMSA-N 0 0 315.482 5.077 1 0 DKAFRN Fc1ccc2nc(-c3ccccc3)nc(Nc3ccccc3)c2c1 ZINC000072116875 191039302 /nfs/dbraw/zinc/03/93/02/191039302.db2.gz IIFVVCSZLQUKGX-UHFFFAOYSA-N 0 0 315.351 5.180 1 0 DKAFRN CSc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3O2)cc1 ZINC000072121349 191040362 /nfs/dbraw/zinc/04/03/62/191040362.db2.gz GKFURKNPNNPDAP-MSOLQXFVSA-N 0 0 321.445 5.473 1 0 DKAFRN CSc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3O2)cc1 ZINC000072121350 191039902 /nfs/dbraw/zinc/03/99/02/191039902.db2.gz GKFURKNPNNPDAP-ZWKOTPCHSA-N 0 0 321.445 5.473 1 0 DKAFRN COc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3C2)cc1F ZINC000072122718 191040924 /nfs/dbraw/zinc/04/09/24/191040924.db2.gz GTHYPROXGYDWNY-GXTWGEPZSA-N 0 0 321.395 5.358 1 0 DKAFRN COc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3C2)cc1F ZINC000072122719 191039893 /nfs/dbraw/zinc/03/98/93/191039893.db2.gz GTHYPROXGYDWNY-OCCSQVGLSA-N 0 0 321.395 5.358 1 0 DKAFRN CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c4oc(C)nc4c(C)c1c32 ZINC000072122950 191041908 /nfs/dbraw/zinc/04/19/08/191041908.db2.gz BFNKOERVUNAPBP-WRFANHODSA-N 0 0 323.480 6.515 1 0 DKAFRN CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c4ncoc4c(C)c1c32 ZINC000072124589 191041318 /nfs/dbraw/zinc/04/13/18/191041318.db2.gz LNDXGBJPESTGLQ-WMHQRMGPSA-N 0 0 309.453 6.207 1 0 DKAFRN Cc1ccc(-c2cc3cc(OC4CCCC4)ccc3oc2=O)cc1 ZINC000072124745 191042216 /nfs/dbraw/zinc/04/22/16/191042216.db2.gz KVRCSMCDZXYFSM-UHFFFAOYSA-N 0 0 320.388 5.090 1 0 DKAFRN CCCN(CC1CC1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 ZINC000072134064 191046917 /nfs/dbraw/zinc/04/69/17/191046917.db2.gz RWJMIDPIFZZTCK-CVEARBPZSA-N 0 0 308.469 5.169 1 0 DKAFRN Cn1ccc2c1c1c(cc2-c2ccc3[nH]ccc3c2)[C@H]2CC[C@@H]1O2 ZINC000072135653 191046582 /nfs/dbraw/zinc/04/65/82/191046582.db2.gz XUAKQOIVZKHYJD-MOPGFXCFSA-N 0 0 314.388 5.233 1 0 DKAFRN Cn1ccc2c1c1c(cc2-c2ccc3[nH]ccc3c2)[C@@H]2CC[C@H]1O2 ZINC000072135654 191047132 /nfs/dbraw/zinc/04/71/32/191047132.db2.gz XUAKQOIVZKHYJD-RBUKOAKNSA-N 0 0 314.388 5.233 1 0 DKAFRN CCCCc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000072136200 191047197 /nfs/dbraw/zinc/04/71/97/191047197.db2.gz JVVITXIYYVRGJY-UHFFFAOYSA-N 0 0 316.470 5.158 1 0 DKAFRN CN(c1cccc(F)c1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2C1 ZINC000072137542 191048067 /nfs/dbraw/zinc/04/80/67/191048067.db2.gz NKJAQPOVMWOWRE-UONOGXRCSA-N 0 0 320.411 5.450 1 0 DKAFRN CN(c1cccc(F)c1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 ZINC000072137543 191047858 /nfs/dbraw/zinc/04/78/58/191047858.db2.gz NKJAQPOVMWOWRE-KGLIPLIRSA-N 0 0 320.411 5.450 1 0 DKAFRN COc1cccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3C2)c1 ZINC000072137648 191048363 /nfs/dbraw/zinc/04/83/63/191048363.db2.gz SKNNWHUBOKQFRF-LSDHHAIUSA-N 0 0 303.405 5.219 1 0 DKAFRN COc1cccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3C2)c1 ZINC000072137649 191047809 /nfs/dbraw/zinc/04/78/09/191047809.db2.gz SKNNWHUBOKQFRF-CABCVRRESA-N 0 0 303.405 5.219 1 0 DKAFRN Cn1ccc2c1c1c(cc2-c2cccc3ccccc32)[C@H]2CC[C@@H]1C2 ZINC000072138168 191048481 /nfs/dbraw/zinc/04/84/81/191048481.db2.gz BVPARMWRSWDOGH-DLBZAZTESA-N 0 0 323.439 6.363 1 0 DKAFRN Cn1ccc2c1c1c(cc2-c2cccc3ccccc32)[C@@H]2CC[C@H]1C2 ZINC000072138169 191047708 /nfs/dbraw/zinc/04/77/08/191047708.db2.gz BVPARMWRSWDOGH-SJORKVTESA-N 0 0 323.439 6.363 1 0 DKAFRN CSc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3C2)cc1 ZINC000072138354 191047882 /nfs/dbraw/zinc/04/78/82/191047882.db2.gz AMUJKSGHKOUUKI-LSDHHAIUSA-N 0 0 319.473 5.932 1 0 DKAFRN CSc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3C2)cc1 ZINC000072138355 191048207 /nfs/dbraw/zinc/04/82/07/191048207.db2.gz 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/nfs/dbraw/zinc/04/99/15/191049915.db2.gz XBIKQICSCKNSFC-NEPJUHHUSA-N 0 0 309.359 5.488 1 0 DKAFRN Cc1cccc(Nc2nc(-c3ccnc4ccccc43)cs2)c1 ZINC000072142447 191049744 /nfs/dbraw/zinc/04/97/44/191049744.db2.gz XZNMDUHAMMJKFQ-UHFFFAOYSA-N 0 0 317.417 5.410 1 0 DKAFRN CC(C)(C)c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1 ZINC000072174906 191071098 /nfs/dbraw/zinc/07/10/98/191071098.db2.gz YTGTVRQZKRMBBP-DHZHZOJOSA-N 0 0 324.514 6.945 1 0 DKAFRN c1coc(-c2cc(-c3ccco3)c3c(n2)-c2ccccc2OC3)c1 ZINC000072178399 191071200 /nfs/dbraw/zinc/07/12/00/191071200.db2.gz VWOFTAMNVDDOSM-UHFFFAOYSA-N 0 0 315.328 5.161 1 0 DKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(/C=C/CO)=CCC[C@@]21C ZINC000072178486 191070946 /nfs/dbraw/zinc/07/09/46/191070946.db2.gz WOCMFEDGMYUVHG-FYFHRLICSA-N 0 0 304.518 5.750 1 0 DKAFRN COc1cc(/C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1C ZINC000072179106 191071329 /nfs/dbraw/zinc/07/13/29/191071329.db2.gz YDNWVTUIFJBROE-CYXONCDGSA-N 0 0 322.404 5.020 1 0 in-vitro DKAFRN CCCCCCc1cn(C(c2ccccc2)c2ccccc2)nn1 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COc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1 ZINC000073312651 191303948 /nfs/dbraw/zinc/30/39/48/191303948.db2.gz SGXUDRZYPONHCS-UHFFFAOYSA-N 0 0 312.453 5.275 1 0 DKAFRN COc1ccccc1-c1cc(C(C)(C)C)cc(C(C)C)c1CO ZINC000073312653 191303207 /nfs/dbraw/zinc/30/32/07/191303207.db2.gz OTDBVKIKXYCVDI-UHFFFAOYSA-N 0 0 312.453 5.275 1 0 DKAFRN c1ccc(-c2ccc(-c3nc4cc5ncccc5cc4[nH]3)cc2)cc1 ZINC000073387286 191311239 /nfs/dbraw/zinc/31/12/39/191311239.db2.gz PHGHNJZTQDWUGL-UHFFFAOYSA-N 0 0 321.383 5.445 1 0 DKAFRN Cc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1C ZINC000073387976 191310427 /nfs/dbraw/zinc/31/04/27/191310427.db2.gz XGJTXYKEBKDNCR-UHFFFAOYSA-N 0 0 310.481 5.884 1 0 DKAFRN C[C@H](Nc1nc2cc(Cl)c(F)cc2s1)c1ccc(F)cc1 ZINC000082149430 192361580 /nfs/dbraw/zinc/36/15/80/192361580.db2.gz GYQUPUKKYCOTQT-QMMMGPOBSA-N 0 0 324.783 5.401 1 0 DKAFRN CC[C@H](Nc1nc2cc(Cl)c(F)cc2s1)c1ccccc1 ZINC000082152810 192361829 /nfs/dbraw/zinc/36/18/29/192361829.db2.gz MEXWPJOFTOHMFP-ZDUSSCGKSA-N 0 0 320.820 5.652 1 0 DKAFRN C[C@H](Nc1nc2cc(Cl)c(F)cc2s1)c1ccccc1 ZINC000082152813 192362171 /nfs/dbraw/zinc/36/21/71/192362171.db2.gz IVLMMTNMUAOHDB-VIFPVBQESA-N 0 0 306.793 5.262 1 0 DKAFRN C[C@H](Nc1nc2cc(Cl)c(F)cc2s1)C1CCCCC1 ZINC000082152814 192361818 /nfs/dbraw/zinc/36/18/18/192361818.db2.gz AEZHVCJKJMERBE-VIFPVBQESA-N 0 0 312.841 5.470 1 0 DKAFRN Clc1ccc(-c2nc3cc4ncccc4cc3[nH]2)cc1Cl ZINC000082157976 185174004 /nfs/dbraw/zinc/17/40/04/185174004.db2.gz CKZMRQNFCGICEI-UHFFFAOYSA-N 0 0 314.175 5.085 1 0 DKAFRN CSc1nc2cc(Cl)c(Cl)cc2n1C1CCCC1 ZINC000082160497 185174166 /nfs/dbraw/zinc/17/41/66/185174166.db2.gz HFCFUBVALIMMOD-UHFFFAOYSA-N 0 0 301.242 5.180 1 0 DKAFRN CC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2C1CCCCC1 ZINC000084653164 192452124 /nfs/dbraw/zinc/45/21/24/192452124.db2.gz IZOYFUUNVZTUQF-UHFFFAOYSA-N 0 0 318.420 5.411 1 0 DKAFRN Cn1nc(Nc2ccc(Cl)cc2)c2cc3ccccc3cc21 ZINC000084669487 192452630 /nfs/dbraw/zinc/45/26/30/192452630.db2.gz XFEYUBZZKQBZMY-UHFFFAOYSA-N 0 0 307.784 5.124 1 0 DKAFRN C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C)cc21)CO ZINC000084670747 192453416 /nfs/dbraw/zinc/45/34/16/192453416.db2.gz HHDPTAKYBRENRR-HCHVNFJNSA-N 0 0 302.458 5.036 1 0 DKAFRN Cc1ccc(C(C)C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000084689024 192456576 /nfs/dbraw/zinc/45/65/76/192456576.db2.gz AIIGOAAEZWEFDE-UHFFFAOYSA-N 0 0 309.453 5.668 1 0 DKAFRN CCCCCCc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1 ZINC000084711918 192459410 /nfs/dbraw/zinc/45/94/10/192459410.db2.gz ONLNFTUKIGDSTD-UHFFFAOYSA-N 0 0 305.421 5.318 1 0 DKAFRN Cc1ccc(C(C)C)c(C(=O)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000084738859 192464864 /nfs/dbraw/zinc/46/48/64/192464864.db2.gz WAZLTPIODCGRTJ-UHFFFAOYSA-N 0 0 310.437 5.635 1 0 DKAFRN [NH3+]CCC1=C[C@@H](CCCCCCCC/C=C/CCC(=O)[O-])CC1 ZINC000085489234 290942697 /nfs/dbraw/zinc/94/26/97/290942697.db2.gz WZCHHODILNZHLU-IWHGQQBYSA-N 0 0 321.505 5.213 1 0 biogenic,in-vitro DKAFRN C[NH2+]C/C(=C\CCC(=O)[O-])CCCCCCCC[C@@H]1C=CCC1 ZINC000085489315 560075520 /nfs/dbraw/zinc/07/55/20/560075520.db2.gz QFYSLIFOXDPRKA-UFSZVFTQSA-N 0 0 321.505 5.084 1 0 biogenic,in-vitro DKAFRN [NH3+]CC[C@H](CCCC/C=C\CCC1CCCCC1)CCC(=O)[O-] ZINC000085505959 560074612 /nfs/dbraw/zinc/07/46/12/560074612.db2.gz YCWUTNMSNRYPOU-PJXRAHGQSA-N 0 0 323.521 5.293 1 0 biogenic,in-vitro DKAFRN C[NH2+]C[C@H](CCC/C=C\CCC1CCCCC1)CCCC(=O)[O-] ZINC000085506072 560074611 /nfs/dbraw/zinc/07/46/11/560074611.db2.gz XGHZLDRICPYGES-FFPCURRISA-N 0 0 323.521 5.164 1 0 biogenic,in-vitro DKAFRN C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@H]2CCC[C@H]3Cc2cccc(O)c2)C1 ZINC000085543637 290942665 /nfs/dbraw/zinc/94/26/65/290942665.db2.gz JHGOVHQJNIHSKW-GEPXCNEXSA-N 0 0 324.508 6.124 1 0 biogenic,in-vitro DKAFRN C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CCCC34CCCC4)[C@@H]1CC2 ZINC000085547661 290942655 /nfs/dbraw/zinc/94/26/55/290942655.db2.gz NYKPNHBMSILVPZ-FJWRRNOESA-N 0 0 302.502 5.458 1 0 biogenic,in-vitro DKAFRN CCCCC[C@@H]1CC[C@]2(C[C@@H]3[C@H]2CC[C@]2(C)CCC[C@@]3(O)C2)C1 ZINC000085547670 290942040 /nfs/dbraw/zinc/94/20/40/290942040.db2.gz RTUFOFNEVAEJTC-WHVWYTALSA-N 0 0 318.545 6.095 1 0 biogenic,in-vitro DKAFRN CC1=C2C[C@]3(C[N@@H+]4CC45CCCC5)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548260 560072110 /nfs/dbraw/zinc/07/21/10/560072110.db2.gz VMPQYZWEFFKVHB-XJFRENHSSA-N 0 0 313.529 5.558 1 0 biogenic,in-vitro DKAFRN COC[C@@]12CC3=C(C)CC[C@]3([C@H](C)CC13CCCC3)C2(C)C ZINC000085548316 560072082 /nfs/dbraw/zinc/07/20/82/560072082.db2.gz MVAAOCQVGQYZIY-MAODMQOUSA-N 0 0 302.502 5.746 1 0 biogenic,in-vitro DKAFRN COC[C@@]12CC3=C(C)CC[C@]3([C@H](C3CCCCC3)CC1)C2(C)C ZINC000085548333 560072118 /nfs/dbraw/zinc/07/21/18/560072118.db2.gz ZJMGCKUJRBOQPQ-YUXAGFNASA-N 0 0 316.529 6.136 1 0 biogenic,in-vitro DKAFRN C[C@@H]1CC(=O)C[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 ZINC000085669179 574416749 /nfs/dbraw/zinc/41/67/49/574416749.db2.gz SXSAPQYSINCHJK-MKRDWBOCSA-N 0 0 302.458 5.270 1 0 endogenous,in-man DKAFRN O=C(C1CCCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000090635708 185307674 /nfs/dbraw/zinc/30/76/74/185307674.db2.gz UAJPYGGOEGMMGL-UHFFFAOYSA-N 0 0 323.461 5.786 1 0 DKAFRN CCCCC[C@@H]1CCc2cc(Cl)cc(Br)c2O1 ZINC000095553935 185379267 /nfs/dbraw/zinc/37/92/67/185379267.db2.gz OGBXFWOSHCDWMD-GFCCVEGCSA-N 0 0 317.654 5.376 1 0 DKAFRN CCCCC[C@H]1CCc2cc(Cl)cc(Br)c2O1 ZINC000095553936 185379499 /nfs/dbraw/zinc/37/94/99/185379499.db2.gz OGBXFWOSHCDWMD-LBPRGKRZSA-N 0 0 317.654 5.376 1 0 DKAFRN CCCCC[C@@H]1C=Cc2cc(Cl)cc(Br)c2O1 ZINC000095554990 185379599 /nfs/dbraw/zinc/37/95/99/185379599.db2.gz MTPNMZMVSZBTLK-GFCCVEGCSA-N 0 0 315.638 5.457 1 0 DKAFRN CCCCC[C@H]1C=Cc2cc(Cl)cc(Br)c2O1 ZINC000095554991 185379663 /nfs/dbraw/zinc/37/96/63/185379663.db2.gz MTPNMZMVSZBTLK-LBPRGKRZSA-N 0 0 315.638 5.457 1 0 DKAFRN COc1cc(/C=C/c2ccccc2)c(CC=C(C)C)c(OC)c1 ZINC000095556095 185379808 /nfs/dbraw/zinc/37/98/08/185379808.db2.gz ANBISURJLGIRCT-VAWYXSNFSA-N 0 0 308.421 5.383 1 0 DKAFRN C=C1c2ccccc2C(=O)N(C)c2ccc(CCCCCC)cc21 ZINC000095556195 185379822 /nfs/dbraw/zinc/37/98/22/185379822.db2.gz IAVVWWBAVCVMLO-UHFFFAOYSA-N 0 0 319.448 5.461 1 0 DKAFRN Oc1ccc2ccccc2c1Nc1c(O)ccc2ccccc21 ZINC000095556663 185379668 /nfs/dbraw/zinc/37/96/68/185379668.db2.gz HRZCZDIEEXIEQV-UHFFFAOYSA-N 0 0 301.345 5.148 1 0 DKAFRN Cc1ccc(-c2ccc(Cn3ccc(=S)c(O)c3C)cc2)cc1 ZINC000095558372 185379853 /nfs/dbraw/zinc/37/98/53/185379853.db2.gz SDUXGJIFGACPBA-UHFFFAOYSA-N 0 0 321.445 5.255 1 0 DKAFRN FC(F)(F)c1ccccc1-c1nc(-c2ccccc2)cs1 ZINC000095558460 185379842 /nfs/dbraw/zinc/37/98/42/185379842.db2.gz QRCDLTROMUGMEL-UHFFFAOYSA-N 0 0 305.324 5.496 1 0 DKAFRN O=c1c(-c2ccccc2)cc(-c2ccccc2)cn1-c1ccccc1 ZINC000095558865 185379850 /nfs/dbraw/zinc/37/98/50/185379850.db2.gz AFYRNYAGKRMMCW-UHFFFAOYSA-N 0 0 323.395 5.172 1 0 DKAFRN Clc1ccccc1/C=C/c1ccc2cccc(Cl)c2n1 ZINC000095560230 185380002 /nfs/dbraw/zinc/38/00/02/185380002.db2.gz MJTZWLUDHRUUIO-CSKARUKUSA-N 0 0 300.188 5.712 1 0 DKAFRN Clc1cccc(-c2nc(-c3ccccc3)cs2)c1Cl ZINC000095561292 185379866 /nfs/dbraw/zinc/37/98/66/185379866.db2.gz UWGPIKUUHZLUQA-UHFFFAOYSA-N 0 0 306.217 5.784 1 0 DKAFRN Oc1cc(O)cc(/C=C/c2ccc(NC3CCCCC3)cc2)c1 ZINC000095561313 185380024 /nfs/dbraw/zinc/38/00/24/185380024.db2.gz NSXUIFFVAPMHOI-VOTSOKGWSA-N 0 0 309.409 5.013 1 0 DKAFRN COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000095561728 185379979 /nfs/dbraw/zinc/37/99/79/185379979.db2.gz BQEHYOYOQFMHIH-UHFFFAOYSA-N 0 0 316.813 5.068 1 0 DKAFRN Clc1cccc(Cl)c1-c1nc(-c2ccccc2)cs1 ZINC000095561733 185379987 /nfs/dbraw/zinc/37/99/87/185379987.db2.gz ZJKHMRSLGUSNMK-UHFFFAOYSA-N 0 0 306.217 5.784 1 0 DKAFRN COc1cccc(-c2csc(-c3cc(Cl)ccc3C)n2)c1 ZINC000095562165 185379841 /nfs/dbraw/zinc/37/98/41/185379841.db2.gz ORNRZOBKKJARMJ-UHFFFAOYSA-N 0 0 315.825 5.448 1 0 DKAFRN COc1cccc(-c2csc(-c3cccc(Cl)c3C)n2)c1 ZINC000095562980 185380106 /nfs/dbraw/zinc/38/01/06/185380106.db2.gz RKQMLBIUJXCKAW-UHFFFAOYSA-N 0 0 315.825 5.448 1 0 DKAFRN CCCCc1ccc(-c2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000095563700 185380100 /nfs/dbraw/zinc/38/01/00/185380100.db2.gz NDEPJVUAGRBJGL-UHFFFAOYSA-N 0 0 323.461 5.828 1 0 DKAFRN CSc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(F)cc2)cc1 ZINC000095564016 185380189 /nfs/dbraw/zinc/38/01/89/185380189.db2.gz MRNIVYXKZJASKZ-UHFFFAOYSA-N 0 0 316.426 5.267 1 0 DKAFRN Cn1ccc2c1c1c(cc2-c2cccc(C=O)c2)[C@H]2CC[C@@H]1C2 ZINC000095566687 185380133 /nfs/dbraw/zinc/38/01/33/185380133.db2.gz MRPBOZDNJPMUEI-JKSUJKDBSA-N 0 0 301.389 5.023 1 0 DKAFRN Cn1ccc2c1c1c(cc2-c2cccc(C=O)c2)[C@@H]2CC[C@H]1C2 ZINC000095566688 185380336 /nfs/dbraw/zinc/38/03/36/185380336.db2.gz MRPBOZDNJPMUEI-CVEARBPZSA-N 0 0 301.389 5.023 1 0 DKAFRN CC1(C)Cc2c3nc(-c4ccccc4)[nH]c3c3ccccc3c2O1 ZINC000095573770 185380425 /nfs/dbraw/zinc/38/04/25/185380425.db2.gz BBFMYYYHENQGJC-UHFFFAOYSA-N 0 0 314.388 5.097 1 0 DKAFRN COc1ccc(-c2ccc(Oc3cccc(OC)c3)cc2)cc1 ZINC000095575156 185380547 /nfs/dbraw/zinc/38/05/47/185380547.db2.gz ASBGGDXUXINDRL-UHFFFAOYSA-N 0 0 306.361 5.163 1 0 DKAFRN O=C(c1ccc(Cl)cc1)N1c2ccccc2Oc2ccccc21 ZINC000095576924 185380876 /nfs/dbraw/zinc/38/08/76/185380876.db2.gz KNOFGZVKVUGVOS-UHFFFAOYSA-N 0 0 321.763 5.424 1 0 DKAFRN CC(C)N(C(=O)N1c2ccccc2Oc2ccccc21)C(C)C ZINC000095579118 185380666 /nfs/dbraw/zinc/38/06/66/185380666.db2.gz AZVUVPMLKGFIDP-UHFFFAOYSA-N 0 0 310.397 5.169 1 0 DKAFRN Cc1nnc(-c2cccc(Oc3cc(C)c(Cl)c(C)c3)c2)o1 ZINC000095581263 185381205 /nfs/dbraw/zinc/38/12/05/185381205.db2.gz STBLCECULZERJC-UHFFFAOYSA-N 0 0 314.772 5.108 1 0 DKAFRN CC(C)c1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1 ZINC000095582525 185380879 /nfs/dbraw/zinc/38/08/79/185380879.db2.gz GESZJAMUIKPUAS-GOSISDBHSA-N 0 0 313.828 5.199 1 0 DKAFRN Clc1ccc(C2=NO[C@@H](Cc3cccc4ccccc43)C2)cc1 ZINC000095584609 185381510 /nfs/dbraw/zinc/38/15/10/185381510.db2.gz NXAAHUOVYRPXQH-SFHVURJKSA-N 0 0 321.807 5.229 1 0 DKAFRN CC(C)c1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1 ZINC000095584726 185381581 /nfs/dbraw/zinc/38/15/81/185381581.db2.gz GESZJAMUIKPUAS-SFHVURJKSA-N 0 0 313.828 5.199 1 0 DKAFRN Clc1ccc(C2=NO[C@H](Cc3cccc4ccccc43)C2)cc1 ZINC000095585166 185381820 /nfs/dbraw/zinc/38/18/20/185381820.db2.gz NXAAHUOVYRPXQH-GOSISDBHSA-N 0 0 321.807 5.229 1 0 DKAFRN Cc1ccc(CCc2cccc(CCc3ccc(C)cc3)n2)cc1 ZINC000095585262 185381775 /nfs/dbraw/zinc/38/17/75/185381775.db2.gz AOAOXSUNFXXSGI-UHFFFAOYSA-N 0 0 315.460 5.269 1 0 DKAFRN Cc1cc(-c2ccc(O)cc2F)sc1-c1ccc(O)cc1F ZINC000095586534 185381482 /nfs/dbraw/zinc/38/14/82/185381482.db2.gz GNILTJBSDFLHKN-UHFFFAOYSA-N 0 0 318.344 5.080 1 0 DKAFRN Oc1ccc(-c2ccc(-c3ccc(O)cc3Cl)o2)c(Cl)c1 ZINC000095588192 185381702 /nfs/dbraw/zinc/38/17/02/185381702.db2.gz GTBPLESAZYJDGC-UHFFFAOYSA-N 0 0 321.159 5.332 1 0 DKAFRN CCCCCOc1cc(C)cc(Oc2cc(C)cc(O)c2)c1 ZINC000095588819 185381990 /nfs/dbraw/zinc/38/19/90/185381990.db2.gz HGSYMVPMOVVMFD-UHFFFAOYSA-N 0 0 300.398 5.370 1 0 DKAFRN Cc1cc(-c2ccc(-c3cc(C)c(O)c(C)c3)s2)cc(C)c1O ZINC000095589363 185382240 /nfs/dbraw/zinc/38/22/40/185382240.db2.gz OXXSIFOXULWEAD-UHFFFAOYSA-N 0 0 324.445 5.727 1 0 DKAFRN CCCCN1c2ccccc2S[C@H](c2cccs2)CC1=O ZINC000095589590 185382256 /nfs/dbraw/zinc/38/22/56/185382256.db2.gz AKHAZNSIHZNGLB-INIZCTEOSA-N 0 0 317.479 5.118 1 0 DKAFRN CCCCN1c2ccccc2S[C@@H](c2cccs2)CC1=O ZINC000095589591 185382194 /nfs/dbraw/zinc/38/21/94/185382194.db2.gz AKHAZNSIHZNGLB-MRXNPFEDSA-N 0 0 317.479 5.118 1 0 DKAFRN COc1ccc(-c2cc3cc4c(cc3o2)OC(C)(C)C=C4)cc1 ZINC000095590124 185382033 /nfs/dbraw/zinc/38/20/33/185382033.db2.gz UDHFTJHEOIOAAC-UHFFFAOYSA-N 0 0 306.361 5.293 1 0 DKAFRN Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2Cl)s1 ZINC000095590209 185382027 /nfs/dbraw/zinc/38/20/27/185382027.db2.gz PXXCXFQBMVJSRQ-UHFFFAOYSA-N 0 0 316.809 5.455 1 0 DKAFRN Oc1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1 ZINC000095590211 185382074 /nfs/dbraw/zinc/38/20/74/185382074.db2.gz XJYKKIXCQQOKHH-UHFFFAOYSA-N 0 0 321.159 5.332 1 0 in-vitro DKAFRN Cc1cc(-c2cscc2-c2cc(C)c(O)c(C)c2)cc(C)c1O ZINC000095590376 185381959 /nfs/dbraw/zinc/38/19/59/185381959.db2.gz FKVQFIDDJONZIO-UHFFFAOYSA-N 0 0 324.445 5.727 1 0 DKAFRN c1nc2ccccc2n1[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000095590594 185381981 /nfs/dbraw/zinc/38/19/81/185381981.db2.gz ASWHZPQPGCIRDS-QFIPXVFZSA-N 0 0 324.383 5.420 1 0 DKAFRN c1nc2ccccc2n1[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000095590595 185381882 /nfs/dbraw/zinc/38/18/82/185381882.db2.gz ASWHZPQPGCIRDS-JOCHJYFZSA-N 0 0 324.383 5.420 1 0 DKAFRN Cc1cc(-c2ccc(O)cc2C)sc1-c1ccc(O)cc1C ZINC000095592052 185382238 /nfs/dbraw/zinc/38/22/38/185382238.db2.gz BDPFAHPWEFSOHU-UHFFFAOYSA-N 0 0 310.418 5.419 1 0 DKAFRN CCCCn1c2cc(OCC(C)C)ccc2c2ccnc(C)c21 ZINC000095596730 193447915 /nfs/dbraw/zinc/44/79/15/193447915.db2.gz RGOAWOXUKGTRIN-UHFFFAOYSA-N 0 0 310.441 5.333 1 0 DKAFRN CCCCn1cc(C)cc(Oc2nc3ccccc3o2)c1=S ZINC000095601067 185382414 /nfs/dbraw/zinc/38/24/14/185382414.db2.gz VBRMCRQNTBKAOC-UHFFFAOYSA-N 0 0 314.410 5.260 1 0 DKAFRN Oc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000095602817 185382304 /nfs/dbraw/zinc/38/23/04/185382304.db2.gz JNLMLXHVKQIVSC-UHFFFAOYSA-N 0 0 323.097 5.510 1 0 DKAFRN CCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S ZINC000095603649 185382401 /nfs/dbraw/zinc/38/24/01/185382401.db2.gz YONHVALIYGFSKZ-UHFFFAOYSA-N 0 0 314.410 5.178 1 0 DKAFRN CCCCn1ccc(C)c(Oc2nc3ccccc3o2)c1=S ZINC000095604173 185382291 /nfs/dbraw/zinc/38/22/91/185382291.db2.gz XARMKWATHNGOHD-UHFFFAOYSA-N 0 0 314.410 5.260 1 0 DKAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](C)C(C)(C)[C@@H]1CC2 ZINC000095911902 560057731 /nfs/dbraw/zinc/05/77/31/560057731.db2.gz LALPCMLATIUNSE-ONTRVFCTSA-N 0 0 300.486 5.792 1 0 biogenic,in-vitro DKAFRN CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1CC[C@H](C)C(=O)C1 ZINC000095912352 290940940 /nfs/dbraw/zinc/94/09/40/290940940.db2.gz ZXKWZJSBNPLXNW-HEQCUEITSA-N 0 0 306.490 5.216 1 0 biogenic,in-vitro DKAFRN C=C/C(C)=C/C[C@H]1C(C(=O)OC)=CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000095912700 560055023 /nfs/dbraw/zinc/05/50/23/560055023.db2.gz CTBUCQNTSSOSEL-ATLHBMIKSA-N 0 0 316.485 5.461 1 0 biogenic,in-vitro DKAFRN C/C=C(\C)[C@@H]1C[C@H]2C(=CC[C@@H]3C(C)(C)CCC[C@]23C)C(=O)O1 ZINC000095912703 290938846 /nfs/dbraw/zinc/93/88/46/290938846.db2.gz ASEBSYWRZMWAJU-HWCXBFGISA-N 0 0 302.458 5.047 1 0 biogenic,in-vitro DKAFRN COC(=O)/C=C(\C)CC[C@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000095913671 560056464 /nfs/dbraw/zinc/05/64/64/560056464.db2.gz KUFCXCJOXPZWCV-PFJVBUEZSA-N 0 0 320.517 5.765 1 0 biogenic,in-vitro DKAFRN CCCC/C=C/C/C=C/CCCCCCCCC(=O)OCC ZINC000095913972 290941496 /nfs/dbraw/zinc/94/14/96/290941496.db2.gz QAAGUCRGWOVTQZ-ZDVGBALWSA-N 0 0 308.506 6.363 1 0 biogenic,in-vitro DKAFRN COc1ccc2ccc(-c3cncc4ccccc43)c(Cl)c2c1 ZINC000096282811 193609028 /nfs/dbraw/zinc/60/90/28/193609028.db2.gz MCOVGPFVWGBXTJ-UHFFFAOYSA-N 0 0 319.791 5.717 1 0 DKAFRN c1ccc(-c2cncc(Cc3ccc(-c4ccccc4)nc3)c2)cc1 ZINC000096282867 193609646 /nfs/dbraw/zinc/60/96/46/193609646.db2.gz GVIQYPDPVMBMME-UHFFFAOYSA-N 0 0 322.411 5.401 1 0 DKAFRN C[P@](=O)(Nc1ccc(Cl)cc1Cl)Oc1ccccc1 ZINC000096901179 185390412 /nfs/dbraw/zinc/39/04/12/185390412.db2.gz KQVIOBLPRZPNTQ-LJQANCHMSA-N 0 0 316.124 5.307 1 0 DKAFRN C=Cc1ccc2c(c1)NC(=O)C2c1[nH]c2ccccc2c1N=O ZINC000096903979 185390716 /nfs/dbraw/zinc/39/07/16/185390716.db2.gz GMHOTJPHDRSKTA-UHFFFAOYSA-N 0 0 303.321 5.063 1 0 DKAFRN FC(F)(F)c1ccc2c(c1)Sc1cc3ccccc3nc1N2 ZINC000096905921 185390656 /nfs/dbraw/zinc/39/06/56/185390656.db2.gz PWCKRCKZFYTIHB-UHFFFAOYSA-N 0 0 318.323 5.462 1 0 DKAFRN FC(F)(F)c1ccc2c(c1)Nc1nc3ccccc3cc1S2 ZINC000096905924 185390784 /nfs/dbraw/zinc/39/07/84/185390784.db2.gz JDXFNYTZPVGHPG-UHFFFAOYSA-N 0 0 318.323 5.462 1 0 DKAFRN FC(F)(F)c1cccc2c1Sc1cc3ccccc3nc1N2 ZINC000096905927 185390820 /nfs/dbraw/zinc/39/08/20/185390820.db2.gz XSPCTABXAONSAO-UHFFFAOYSA-N 0 0 318.323 5.462 1 0 DKAFRN FC(F)(F)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1 ZINC000096909028 185391029 /nfs/dbraw/zinc/39/10/29/185391029.db2.gz PAJDTRQTUSXNOW-UHFFFAOYSA-N 0 0 313.662 5.274 1 0 DKAFRN CC(C)c1ccccc1N(C)C(=O)N(C)c1ccccc1C(C)C ZINC000096909533 185391075 /nfs/dbraw/zinc/39/10/75/185391075.db2.gz SBAWSJCKDGYWLC-UHFFFAOYSA-N 0 0 324.468 5.626 1 0 DKAFRN c1nc2ccccc2n1Cc1c2ccccc2oc1-c1ccccc1 ZINC000096911282 185391099 /nfs/dbraw/zinc/39/10/99/185391099.db2.gz 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COc1cc2c(cc1[C@H](C)OCc1ccccc1)C=CC(C)(C)O2 ZINC000096932024 185392540 /nfs/dbraw/zinc/39/25/40/185392540.db2.gz MBNAYZQNJNGVHG-HNNXBMFYSA-N 0 0 324.420 5.157 1 0 DKAFRN COc1cc2c(cc1[C@@H](C)OCc1ccccc1)C=CC(C)(C)O2 ZINC000096932026 185392627 /nfs/dbraw/zinc/39/26/27/185392627.db2.gz MBNAYZQNJNGVHG-OAHLLOKOSA-N 0 0 324.420 5.157 1 0 DKAFRN O=c1cc(-c2ccc(-c3ccc(F)cc3)cc2)oc2ccccc12 ZINC000096937342 185393032 /nfs/dbraw/zinc/39/30/32/185393032.db2.gz NHGVCPFCFWDKAT-UHFFFAOYSA-N 0 0 316.331 5.266 1 0 DKAFRN COc1ccc(-c2cccc3ncccc32)cc1OC1CCCC1 ZINC000096937567 185393103 /nfs/dbraw/zinc/39/31/03/185393103.db2.gz VWDAALUEGMIHJA-UHFFFAOYSA-N 0 0 319.404 5.232 1 0 DKAFRN Cc1ccc(-c2ccc3oc(=O)cc(-c4ccccc4)c3c2)cc1 ZINC000096940124 185393230 /nfs/dbraw/zinc/39/32/30/185393230.db2.gz PGIFPMVASZUWRS-UHFFFAOYSA-N 0 0 312.368 5.435 1 0 DKAFRN c1ccc2c3nc(C4CCCC4)[nH]c3c(NC3CCCC3)nc2c1 ZINC000100655666 193802291 /nfs/dbraw/zinc/80/22/91/193802291.db2.gz UUZKKLNSNBKGBB-UHFFFAOYSA-N 0 0 320.440 5.075 1 0 DKAFRN CC(C)c1cc2c(cc1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O ZINC000100782616 571838243 /nfs/dbraw/zinc/83/82/43/571838243.db2.gz UIJOYOSDYSTACV-QUCCMNQESA-N 0 0 300.442 5.512 1 0 endogenous,in-man DKAFRN CC(C)c1cc2c(cc1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000100782619 571838250 /nfs/dbraw/zinc/83/82/50/571838250.db2.gz UIJOYOSDYSTACV-ICSRJNTNSA-N 0 0 300.442 5.512 1 0 endogenous,in-man DKAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O ZINC000100782622 571838100 /nfs/dbraw/zinc/83/81/00/571838100.db2.gz UIJOYOSDYSTACV-UYAOXDASSA-N 0 0 300.442 5.512 1 0 endogenous,in-man DKAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000100782623 571838174 /nfs/dbraw/zinc/83/81/74/571838174.db2.gz UIJOYOSDYSTACV-AZUAARDMSA-N 0 0 300.442 5.512 1 0 endogenous,in-man DKAFRN O=C1C[C@@H](c2ccccc2)CC2=Nc3ccc(F)cc3SC12 ZINC000100796353 193804446 /nfs/dbraw/zinc/80/44/46/193804446.db2.gz GTGNKSQLSHZJEC-LBPRGKRZSA-N 0 0 311.381 5.351 1 0 DKAFRN O=C1C[C@H](c2ccccc2)CC2=Nc3ccc(F)cc3SC12 ZINC000100796354 193804644 /nfs/dbraw/zinc/80/46/44/193804644.db2.gz GTGNKSQLSHZJEC-GFCCVEGCSA-N 0 0 311.381 5.351 1 0 DKAFRN CC(C)(O)CCCC[C@H]1CC[C@@H](/C=C/[C@@]2(C)CC[C@H](O)CC2)C1 ZINC000101247844 193810146 /nfs/dbraw/zinc/81/01/46/193810146.db2.gz BYQZXCIJRTWGDK-YDHRBXRASA-N 0 0 322.533 5.231 1 0 DKAFRN CC(C)(O)CCCC[C@H]1CC[C@@H](CC[C@@]2(C)CC[C@H](O)CC2)C1 ZINC000101248780 193809565 /nfs/dbraw/zinc/80/95/65/193809565.db2.gz CNUWESQQIPXZDH-VNYTWHDVSA-N 0 0 324.549 5.455 1 0 DKAFRN Clc1ccc(/C=C\c2[nH]ccc3c4ccccc4nc2-3)cc1 ZINC000101587519 193826425 /nfs/dbraw/zinc/82/64/25/193826425.db2.gz NYZZLZBOJXDDQX-YFHOEESVSA-N 0 0 304.780 5.492 1 0 DKAFRN C[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCCC4)CC1 ZINC000101623511 193828817 /nfs/dbraw/zinc/82/88/17/193828817.db2.gz JPBVNSVFRMNFNJ-WKILWMFISA-N 0 0 321.464 5.513 1 0 DKAFRN CC(C)(C)Cn1cncc1-c1cccc(OCc2ccccc2)c1 ZINC000103177388 185436977 /nfs/dbraw/zinc/43/69/77/185436977.db2.gz UELBRMVZYVFIOA-UHFFFAOYSA-N 0 0 320.436 5.175 1 0 DKAFRN CC1=C[C@@H]2SC(=C1)/C=C(/C)CC/C=C(/C)CC[C@H]2C(C)C ZINC000103183649 185437125 /nfs/dbraw/zinc/43/71/25/185437125.db2.gz CDCCHUJOQQLBNW-YVORUKNWSA-N 0 0 302.527 6.671 1 0 DKAFRN CC(C)=CCC[C@H](C)C/C=C\c1ccc(C(=O)C(F)(F)F)cc1 ZINC000103188391 185437310 /nfs/dbraw/zinc/43/73/10/185437310.db2.gz CSIQVHKVYVQCOX-ZHMISCPASA-N 0 0 324.386 6.217 1 0 DKAFRN Fc1cccc2sc(SCc3c(F)cccc3F)nc21 ZINC000103190239 185437538 /nfs/dbraw/zinc/43/75/38/185437538.db2.gz AKCKFUFWIZBBSQ-UHFFFAOYSA-N 0 0 311.353 5.006 1 0 DKAFRN Cc1ccc(C(C)C)c(OC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000103191851 185437733 /nfs/dbraw/zinc/43/77/33/185437733.db2.gz RYMUDJJXNSXSPG-YRNVUSSQSA-N 0 0 314.812 5.391 1 0 DKAFRN Fc1ccc2sc(SCc3c(F)cccc3F)nc2c1 ZINC000103192129 185437627 /nfs/dbraw/zinc/43/76/27/185437627.db2.gz QAWCFUGEWRNORI-UHFFFAOYSA-N 0 0 311.353 5.006 1 0 DKAFRN CC(C)C[C@H](C)c1sccc1NC(=O)c1ccccc1Cl ZINC000103200427 185438357 /nfs/dbraw/zinc/43/83/57/185438357.db2.gz PGVXMRRAAGKDKR-LBPRGKRZSA-N 0 0 321.873 5.803 1 0 DKAFRN CC[C@H](C)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000103227105 185439444 /nfs/dbraw/zinc/43/94/44/185439444.db2.gz LHXJYHZPNIJDNM-DZIGDOIQSA-N 0 0 310.481 5.831 1 0 DKAFRN c1ccc(NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000103229323 185439724 /nfs/dbraw/zinc/43/97/24/185439724.db2.gz QJSVTPPHUUTXPO-ZUTUBDCJSA-N 0 0 311.428 5.396 1 0 DKAFRN CCCN(CCC)C(=O)N1c2ccccc2C=Cc2ccccc21 ZINC000103231470 185439732 /nfs/dbraw/zinc/43/97/32/185439732.db2.gz IAXQJFHTWQFLLJ-UHFFFAOYSA-N 0 0 320.436 5.551 1 0 DKAFRN CC(C)N(C(=O)/C=C\Sc1ccc(C(C)(C)C)cc1)C(C)C ZINC000103244544 185440439 /nfs/dbraw/zinc/44/04/39/185440439.db2.gz VKSDVMRAUJXMLR-SEYXRHQNSA-N 0 0 319.514 5.235 1 0 DKAFRN Oc1ccc(-c2cccc3c2Sc2ccccc2S3)c(O)c1 ZINC000103246390 185440726 /nfs/dbraw/zinc/44/07/26/185440726.db2.gz SFHCRTNQKWZASO-UHFFFAOYSA-N 0 0 324.426 5.381 1 0 DKAFRN Cc1coc2cc3oc(C(=O)Nc4ccc(C)cc4)c(C)c3cc12 ZINC000103248322 185440571 /nfs/dbraw/zinc/44/05/71/185440571.db2.gz QABRZNPCNFYHDY-UHFFFAOYSA-N 0 0 319.360 5.357 1 0 DKAFRN Brc1ccc2[nH]c(-c3cc4ccccc4o3)cc2c1 ZINC000103259889 185442279 /nfs/dbraw/zinc/44/22/79/185442279.db2.gz SHYWSTJJGNONED-UHFFFAOYSA-N 0 0 312.166 5.344 1 0 DKAFRN Brc1ccc2cc(-c3cc4ccccc4[nH]3)[nH]c2c1 ZINC000103259929 185442195 /nfs/dbraw/zinc/44/21/95/185442195.db2.gz DHMAIJXNTJLRGN-UHFFFAOYSA-N 0 0 311.182 5.079 1 0 DKAFRN Fc1ccc(NCc2cc3ccccc3nc2Cl)cc1Cl ZINC000103294744 185444958 /nfs/dbraw/zinc/44/49/58/185444958.db2.gz RIAFDQHCSJLHBH-UHFFFAOYSA-N 0 0 321.182 5.293 1 0 DKAFRN CN(Cc1cc2ccccc2nc1Cl)c1ccc(Cl)cc1 ZINC000103296306 185445432 /nfs/dbraw/zinc/44/54/32/185445432.db2.gz JNOVITPQHBJEEG-UHFFFAOYSA-N 0 0 317.219 5.178 1 0 DKAFRN CN(Cc1cc2ccccc2nc1Cl)c1cccc(Cl)c1 ZINC000103296310 185445306 /nfs/dbraw/zinc/44/53/06/185445306.db2.gz XULGYALOMBNMNR-UHFFFAOYSA-N 0 0 317.219 5.178 1 0 DKAFRN CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C[C@H](C)O)CCC[C@]21C ZINC000103296689 185445417 /nfs/dbraw/zinc/44/54/17/185445417.db2.gz VCFHMEXVTPUZJW-FBEWHJACSA-N 0 0 314.513 5.591 1 0 DKAFRN Cc1ccc2c(c1)c1c(n2CCCNc2ccccc2)CCCC1 ZINC000103298734 185445372 /nfs/dbraw/zinc/44/53/72/185445372.db2.gz JUMHRHBZHWXSMR-UHFFFAOYSA-N 0 0 318.464 5.331 1 0 DKAFRN C[C@H](Cc1ccc(O)cc1)[C@H]1CC[C@@H](C)[C@@H](c2ccc(O)cc2)C1 ZINC000105084817 194070767 /nfs/dbraw/zinc/07/07/67/194070767.db2.gz FOCBRSKUUQCFGB-GDVTWYKTSA-N 0 0 324.464 5.496 1 0 DKAFRN CC1=CCC[C@H]2[C@](C)(Cc3cc(O)ccc3O)[C@@H](C)CC[C@@]12C ZINC000105382490 194101033 /nfs/dbraw/zinc/10/10/33/194101033.db2.gz JSPUCPNQXKTYRO-PSMQTCRGSA-N 0 0 314.469 5.439 1 0 DKAFRN C/C1=C\C=C(\C(C)(C)O)CC[C@H](C)CC(=O)C/C(C)=C\CC1 ZINC000141601673 186030270 /nfs/dbraw/zinc/03/02/70/186030270.db2.gz KECRMPBXABTDAG-KNGIFMSMSA-N 0 0 304.474 5.136 1 0 DKAFRN Cc1nc(N(c2ccccc2)c2ccccc2)c(C)c(C)c1O ZINC000143962618 186034493 /nfs/dbraw/zinc/03/44/93/186034493.db2.gz QNPFVFXYPHSBPX-UHFFFAOYSA-N 0 0 304.393 5.182 1 0 DKAFRN COC(=O)CCSC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000149191761 186048427 /nfs/dbraw/zinc/04/84/27/186048427.db2.gz WOWVTWFZNWSUGU-VZRGJMDUSA-N 0 0 324.530 5.702 1 0 DKAFRN COC(=O)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000149193963 186048186 /nfs/dbraw/zinc/04/81/86/186048186.db2.gz AKQKAXLSCCBADJ-JTCWOHKRSA-N 0 0 310.503 5.312 1 0 DKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC(F)(F)CO ZINC000149197014 186048643 /nfs/dbraw/zinc/04/86/43/186048643.db2.gz NJICZKNETDTFNP-XGGJEREUSA-N 0 0 318.473 5.724 1 0 DKAFRN COC(=O)CSCC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000149197220 186048242 /nfs/dbraw/zinc/04/82/42/186048242.db2.gz JOVGNXHZVRLZRA-OUBUNXTGSA-N 0 0 324.530 5.702 1 0 DKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC(C)(C)CO ZINC000149198779 186048382 /nfs/dbraw/zinc/04/83/82/186048382.db2.gz BMFFGHJNOJGRSF-OUBUNXTGSA-N 0 0 310.547 5.910 1 0 DKAFRN COC(=O)/C=C(\C)CC/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000166962486 197702200 /nfs/dbraw/zinc/70/22/00/197702200.db2.gz METCNIXTMXLOGV-ZUJDLTLQSA-N 0 0 316.485 5.915 1 0 DKAFRN CCCCCc1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000169323090 197741552 /nfs/dbraw/zinc/74/15/52/197741552.db2.gz SGGWYTSWKPDCSZ-AWEZNQCLSA-N 0 0 313.485 5.746 1 0 DKAFRN FC(F)c1cc2n[nH]cc2cc1-c1ccccc1C(F)(F)F ZINC000169325679 197741655 /nfs/dbraw/zinc/74/16/55/197741655.db2.gz PVRXMDUFHCZPHZ-UHFFFAOYSA-N 0 0 312.241 5.186 1 0 DKAFRN C(=C/c1cncnc1-c1ccco1)\c1ccc(-c2ccccc2)cc1 ZINC000169328337 197742669 /nfs/dbraw/zinc/74/26/69/197742669.db2.gz SJYFTSNWNGUCJI-JLHYYAGUSA-N 0 0 324.383 5.574 1 0 DKAFRN CCCC/C=C/C=C/c1nc2ccc(OC)cc2n2cccc12 ZINC000169340792 197743499 /nfs/dbraw/zinc/74/34/99/197743499.db2.gz LRBWECAIHYZGSW-LQPGMRSMSA-N 0 0 306.409 5.256 1 0 DKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC/C(C)=C\CC[C@@H]2CO[C@@H](O)[C@@H]21 ZINC000169346151 197744189 /nfs/dbraw/zinc/74/41/89/197744189.db2.gz NMBAONOLUPHOQS-XXVCVFBESA-N 0 0 306.490 5.086 1 0 DKAFRN Oc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1Cl ZINC000169350538 197745209 /nfs/dbraw/zinc/74/52/09/197745209.db2.gz UEBSFCVHMRZVIF-UHFFFAOYSA-N 0 0 321.763 5.521 1 0 DKAFRN COc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1 ZINC000169350540 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