smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C)c1 ZINC000095553603 185379250 /nfs/dbraw/zinc/37/92/50/185379250.db2.gz ZRNLHFNNDAUNMS-UHFFFAOYSA-N 0 0 322.408 3.369 1 0 DGAFRN Cc1nc(N)nc(-c2cccnc2Nc2cccc3[nH]ccc32)n1 ZINC000095556483 185379624 /nfs/dbraw/zinc/37/96/24/185379624.db2.gz LVUPFSONRUTLLF-UHFFFAOYSA-N 0 0 317.356 3.049 1 0 DGAFRN COc1ccc2nc(C(=O)c3ccc(F)c(O)c3)sc2c1 ZINC000095556523 185379734 /nfs/dbraw/zinc/37/97/34/185379734.db2.gz PKFJPFABNDZIRG-UHFFFAOYSA-N 0 0 303.314 3.381 1 0 DGAFRN COc1ccc(Nc2ncnc3c4nccnc4sc32)cc1 ZINC000095575991 185380574 /nfs/dbraw/zinc/38/05/74/185380574.db2.gz RYMPCPHCHFQOCO-UHFFFAOYSA-N 0 0 309.354 3.387 1 0 DGAFRN CN(CCCc1cc(=O)[nH][nH]1)c1cc(Cl)cc(Cl)c1 ZINC000095583875 185381248 /nfs/dbraw/zinc/38/12/48/185381248.db2.gz PTAZWZGFSFXWAY-UHFFFAOYSA-N 0 0 300.189 3.491 1 0 DGAFRN O=C1O[C@]2(Oc3cc4ccccc4cc3C2=O)c2ccccc21 ZINC000095591586 185382220 /nfs/dbraw/zinc/38/22/20/185382220.db2.gz ASOLDTJEIDZYPT-LJQANCHMSA-N 0 0 302.285 3.438 1 0 DGAFRN COc1ccc(N(C)c2nc(C(F)(F)F)ccc2CO)cc1 ZINC000095598137 185382421 /nfs/dbraw/zinc/38/24/21/185382421.db2.gz XEJLVGBSGCGIBU-UHFFFAOYSA-N 0 0 312.291 3.369 1 0 DGAFRN Cc1c(C(=O)Nc2ccnc(C)c2)nn(C)c1-c1ccc(F)cc1 ZINC000095605282 185382603 /nfs/dbraw/zinc/38/26/03/185382603.db2.gz STVUDYCSQHUKDE-UHFFFAOYSA-N 0 0 324.359 3.490 1 0 DGAFRN Nc1nc(-c2cnccn2)nc2sc(Cc3ccccc3)cc21 ZINC000096907794 185390778 /nfs/dbraw/zinc/39/07/78/185390778.db2.gz WOPLPHFZOGXYJK-UHFFFAOYSA-N 0 0 319.393 3.321 1 0 DGAFRN O=c1c2ccccc2ncn1CSc1nc2ccccc2o1 ZINC000096910561 185391071 /nfs/dbraw/zinc/39/10/71/185391071.db2.gz LZDGOOITNOYSGX-UHFFFAOYSA-N 0 0 309.350 3.288 1 0 DGAFRN COc1ccc([C@H]2NC(=O)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000096931742 185392621 /nfs/dbraw/zinc/39/26/21/185392621.db2.gz PJYKYQYYKZFYQC-OAHLLOKOSA-N 0 0 322.320 3.026 1 0 DGAFRN COc1ccc2c(c1)CCc1c(-c3ccc(O)cc3)nc(N)nc1-2 ZINC000096935144 185392649 /nfs/dbraw/zinc/39/26/49/185392649.db2.gz MHOUKRXEYUPHQG-UHFFFAOYSA-N 0 0 319.364 3.206 1 0 DGAFRN COc1cc2c(cc1OC)-c1cc(-c3ccco3)cc(=O)n1CC2 ZINC000096935340 185392757 /nfs/dbraw/zinc/39/27/57/185392757.db2.gz WILGXUCATLIXAA-UHFFFAOYSA-N 0 0 323.348 3.349 1 0 DGAFRN Oc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1 ZINC000006744629 190624263 /nfs/dbraw/zinc/62/42/63/190624263.db2.gz XFSPUECBJISPDO-UHFFFAOYSA-N 0 0 320.327 3.386 1 0 DGAFRN CC(=O)N(Cc1ccccc1)C1=N[C@]2(CCCCO2)CCS1 ZINC000169319652 197740207 /nfs/dbraw/zinc/74/02/07/197740207.db2.gz RWAVCJFIBXMGPI-KRWDZBQOSA-N 0 0 318.442 3.425 1 0 DGAFRN c1ccc(-c2nnc3n2N=C2c4ccccc4C[C@H]2S3)cc1 ZINC000072118227 191039241 /nfs/dbraw/zinc/03/92/41/191039241.db2.gz BJDUWWGQZXRYQP-CQSZACIVSA-N 0 0 304.378 3.228 1 0 DGAFRN O[C@](c1cccs1)(c1ccc(Cl)cc1)c1cncnc1 ZINC000072184443 191071708 /nfs/dbraw/zinc/07/17/08/191071708.db2.gz GHQYUMZPYFAPGL-OAHLLOKOSA-N 0 0 302.786 3.476 1 0 DGAFRN COCCCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 ZINC000072179365 191072561 /nfs/dbraw/zinc/07/25/61/191072561.db2.gz VQBSRHUQIVEUOV-UHFFFAOYSA-N 0 0 320.414 3.365 1 0 DGAFRN CCCCn1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c2cccnc21 ZINC000072322809 191121900 /nfs/dbraw/zinc/12/19/00/191121900.db2.gz MDBZDDXPDWOLOC-ZIAGYGMSSA-N 0 0 315.417 3.086 2 0 DGAFRN CC(C)(C)n1cc(C(=O)NCc2cccnc2)c2cccnc21 ZINC000072323151 191122243 /nfs/dbraw/zinc/12/22/43/191122243.db2.gz KLNKZZHUGPTOHM-UHFFFAOYSA-N 0 0 308.385 3.116 2 0 DGAFRN CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@H]13 ZINC000069481940 290914798 /nfs/dbraw/zinc/91/47/98/290914798.db2.gz DYJDPNXKUMPXEJ-HSAPRAMBSA-N 0 0 316.397 3.172 1 0 biogenic,in-vitro DGAFRN COc1ccc([C@H](O)c2nccc3cc4c(cc32)OCO4)cc1 ZINC000014589424 290917603 /nfs/dbraw/zinc/91/76/03/290917603.db2.gz NOIDDJJSLONVDW-SFHVURJKSA-N 0 0 309.321 3.054 1 0 biogenic,in-vitro DGAFRN COc1ccc2c(OC)c(=O)[nH]c3c2c1-c1ccccc1C3=O ZINC000013373029 290917608 /nfs/dbraw/zinc/91/76/08/290917608.db2.gz CXPABOHANFIQBK-UHFFFAOYSA-N 0 0 307.305 3.169 1 0 biogenic,in-vitro DGAFRN c1cncc(-c2ncc(-c3cnccn3)c(-c3cccnc3)n2)c1 ZINC000001501130 180870221 /nfs/dbraw/zinc/87/02/21/180870221.db2.gz SQZLCULNMYEEGI-UHFFFAOYSA-N 0 0 312.336 3.058 1 0 DGAFRN Cc1ccc(CNC(=O)[C@@H]2CSC(c3cccs3)=N2)cc1 ZINC000003029816 180977874 /nfs/dbraw/zinc/97/78/74/180977874.db2.gz WJMROGDWICFPCW-ZDUSSCGKSA-N 0 0 316.451 3.235 1 0 DGAFRN Cc1ccc([C@H]2SCC(=O)N2Cc2cn3ccsc3n2)o1 ZINC000003305805 181003061 /nfs/dbraw/zinc/00/30/61/181003061.db2.gz UNLPAAJGKUTHGD-CYBMUJFWSA-N 0 0 319.411 3.071 3 0 DGAFRN CC(C)(C)c1ccc2c(c1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 ZINC000003779501 181045390 /nfs/dbraw/zinc/04/53/90/181045390.db2.gz SGXKIBYCUFLHDY-SJORKVTESA-N 0 0 317.429 3.180 1 0 DGAFRN C=CC1=C(C(=O)NCC(C)C)[C@@H](c2ccc(OC)cc2)OC1 ZINC000073224534 191296304 /nfs/dbraw/zinc/29/63/04/191296304.db2.gz HGBNCQLKJCNHHI-QGZVFWFLSA-N 0 0 301.386 3.021 1 0 DGAFRN c1ccc(CNc2ncncc2-c2ccc3c(c2)OCO3)cc1 ZINC000004265319 181090357 /nfs/dbraw/zinc/09/03/57/181090357.db2.gz RGPAABISIBRZHT-UHFFFAOYSA-N 0 0 305.337 3.484 1 0 DGAFRN O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(F)cc1 ZINC000004870086 181166921 /nfs/dbraw/zinc/16/69/21/181166921.db2.gz WSFZGISQYONOQR-XQQFMLRXSA-N 0 0 305.349 3.134 1 0 DGAFRN CC1=C(C(=O)N2C[C@H](C)C[C@H](C)C2)C2(CCC(C)CC2)OC1=O ZINC000005058814 181198725 /nfs/dbraw/zinc/19/87/25/181198725.db2.gz BAFJTKICLOHFAD-LHYKLLTFSA-N 0 0 319.445 3.313 1 0 DGAFRN C[C@H]1CCC[C@@H](O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1 ZINC000005258651 181222920 /nfs/dbraw/zinc/22/29/20/181222920.db2.gz FPQFYIAXQDXNOR-NPHVUNIESA-N 0 0 320.385 3.371 1 0 DGAFRN CCOC(=O)[C@H]1Nc2ccc(OC)cc2[C@@H]2c3ccccc3C[C@H]21 ZINC000005499735 181250519 /nfs/dbraw/zinc/25/05/19/181250519.db2.gz AAHKFWHWVBZUCP-NEWSRXKRSA-N 0 0 323.392 3.357 1 0 DGAFRN COc1cc(-c2cc(=O)c3ccccc3[nH]2)cc(OC)c1OC ZINC000005503069 181250758 /nfs/dbraw/zinc/25/07/58/181250758.db2.gz CEYWUEALBWWZAX-UHFFFAOYSA-N 0 0 311.337 3.221 1 0 DGAFRN CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccco3)nc21 ZINC000005841963 181288250 /nfs/dbraw/zinc/28/82/50/181288250.db2.gz KNXBMZUHMRSYTM-UHFFFAOYSA-N 0 0 320.352 3.485 1 0 DGAFRN CC1(C)C(=O)CC[C@@]2(C)[C@@H]3C[C@@H]4CC[C@@]3(CC[C@H]12)C[C@@]4(O)CO ZINC000005849365 181289273 /nfs/dbraw/zinc/28/92/73/181289273.db2.gz GFMRAAZMCOCUCY-JTZLQOMOSA-N 0 0 320.473 3.322 1 0 biogenic,in-vitro DGAFRN O=[S@@](/C=C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000005940592 181299442 /nfs/dbraw/zinc/29/94/42/181299442.db2.gz MMGHXXHLNDNLNB-FWTOPHKVSA-N 0 0 318.419 3.296 1 0 DGAFRN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1/C=C/c1ccccc1 ZINC000006492238 181345630 /nfs/dbraw/zinc/34/56/30/181345630.db2.gz CXIYLNDXACGIIB-VRSBRPFUSA-N 0 0 310.357 3.445 1 0 aggregator DGAFRN O=S1(=O)N[C@H](c2ccccc2)C[C@H](CC2CCCCC2)O1 ZINC000012472658 181766107 /nfs/dbraw/zinc/76/61/07/181766107.db2.gz ORGISXAYPLMVCE-HOTGVXAUSA-N 0 0 309.431 3.321 3 0 DGAFRN O=C(Nc1cccc2c1CCC[C@H]2c1c[nH]cn1)C(F)(F)F ZINC000013580176 181864095 /nfs/dbraw/zinc/86/40/95/181864095.db2.gz WNIQCRWLPXLGQD-LLVKDONJSA-N 0 0 309.291 3.379 1 0 DGAFRN O=c1oc2ccc(Cl)cc2c2nc(-c3ccccc3F)nn21 ZINC000013741679 181887063 /nfs/dbraw/zinc/88/70/63/181887063.db2.gz NGKOUAJYGJFKQX-UHFFFAOYSA-N 0 0 315.691 3.295 1 0 DGAFRN C[C@@](O)(C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000013808698 181899705 /nfs/dbraw/zinc/89/97/05/181899705.db2.gz UDXCOCQJFFYJHW-SECBINFHSA-N 0 0 302.079 3.245 1 0 DGAFRN COc1cc(OC)c2c(c1)OC(=O)C[C@@H]2c1ccccc1OC ZINC000013814489 181901131 /nfs/dbraw/zinc/90/11/31/181901131.db2.gz RXMNYLRAKQACEW-CYBMUJFWSA-N 0 0 314.337 3.153 1 0 DGAFRN CC[C@H](C)NC(=O)Nc1ncc(-c2ccc(OC)cc2)n1C ZINC000015786053 182017367 /nfs/dbraw/zinc/01/73/67/182017367.db2.gz PDROJMCKTBRCOH-NSHDSACASA-N 0 0 302.378 3.016 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN2C(=O)CCC[C@H](C3)[C@H]12 ZINC000015935150 182025306 /nfs/dbraw/zinc/02/53/06/182025306.db2.gz NQBHBUSATGVQBF-RGIROJJOSA-N 0 0 310.397 3.217 3 0 DGAFRN C[NH+](C)CCCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)[O-] ZINC000026027970 182429302 /nfs/dbraw/zinc/42/93/02/182429302.db2.gz JNPTWAFWEMCYHF-XFNCEPBJSA-N 0 0 324.465 3.019 1 0 DGAFRN O=c1oc2cc(Cl)ccc2c2nc(-c3ccccc3F)nn21 ZINC000026292661 182436691 /nfs/dbraw/zinc/43/66/91/182436691.db2.gz OHBFVNMSBQHENP-UHFFFAOYSA-N 0 0 315.691 3.295 1 0 DGAFRN C[C@H](/C=C\c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O ZINC000027548768 182476363 /nfs/dbraw/zinc/47/63/63/182476363.db2.gz RTJJFGMMZKIEBW-XJIUSYNZSA-N 0 0 306.293 3.383 1 0 DGAFRN Cc1ccc([C@H]2OC[C@@H](NC(=O)c3ccccc3)[C@H](C)O2)cc1 ZINC000028826415 182540933 /nfs/dbraw/zinc/54/09/33/182540933.db2.gz BTJYYEQOWMIFLV-YJLNNSPDSA-N 0 0 311.381 3.228 1 0 DGAFRN Cc1ccc(C)c(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1 ZINC000029050717 182549970 /nfs/dbraw/zinc/54/99/70/182549970.db2.gz QUPXEJURIFFVSX-UHFFFAOYSA-N 0 0 309.417 3.371 1 0 in-vivo DGAFRN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C ZINC000029404804 182564695 /nfs/dbraw/zinc/56/46/95/182564695.db2.gz VJETXRIBTFXKJF-TYHLISGHSA-N 0 0 304.430 3.463 1 0 DGAFRN O=C1[C@H]2C=C(Br)[C@H](C[C@@H]2c2ccccc2)[C@]12CO2 ZINC000034134377 182730131 /nfs/dbraw/zinc/73/01/31/182730131.db2.gz MXOXFTDGMZETMM-OXJKWZBOSA-N 0 0 305.171 3.037 1 0 DGAFRN COc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000039247013 183015488 /nfs/dbraw/zinc/01/54/88/183015488.db2.gz YUOQRJNUOYAPPV-UHFFFAOYSA-N 0 0 324.771 3.280 1 0 DGAFRN CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1C[C@H](O)[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O ZINC000040421718 183064668 /nfs/dbraw/zinc/06/46/68/183064668.db2.gz XQVVNUQPNCRRAK-NKYOLRSBSA-N 0 0 322.489 3.112 1 0 biogenic,in-vitro DGAFRN O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@@H]1COc2ccccc2C1 ZINC000040860309 183143792 /nfs/dbraw/zinc/14/37/92/183143792.db2.gz JJJJNDXIYADPOU-HNNXBMFYSA-N 0 0 319.364 3.267 1 0 DGAFRN O=C1NC(=O)C(=Cc2cccc(OC(F)(F)C(F)F)c2)S1 ZINC000040972976 183153317 /nfs/dbraw/zinc/15/33/17/183153317.db2.gz LZYNQCBXFYBAGT-YVMONPNESA-N 0 0 321.251 3.247 1 0 DGAFRN CC(=O)N[C@@H](CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000040980484 183154530 /nfs/dbraw/zinc/15/45/30/183154530.db2.gz HLBNKZQUWFKBGQ-INIZCTEOSA-N 0 0 303.308 3.415 1 0 DGAFRN CCc1sc2[nH]c(N)nc(=O)c2c1Sc1ccccc1 ZINC000042921561 183318097 /nfs/dbraw/zinc/31/80/97/183318097.db2.gz QZOQZFJSAYISAP-UHFFFAOYSA-N 0 0 303.412 3.280 1 0 DGAFRN Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc21 ZINC000043015537 183327680 /nfs/dbraw/zinc/32/76/80/183327680.db2.gz CMCICLOFEOTOBQ-UHFFFAOYSA-N 0 0 301.353 3.280 1 0 DGAFRN COc1ccc(-c2c(CO)c(CO)c3n2-c2ccccc2C3)cc1 ZINC000043018815 183329040 /nfs/dbraw/zinc/32/90/40/183329040.db2.gz SCNHIBOGDBGMJE-UHFFFAOYSA-N 0 0 321.376 3.042 1 0 DGAFRN CC(C)COc1ccc2sc3c(c2c1)NC[C@@H](C)NC3=O ZINC000043073971 183334388 /nfs/dbraw/zinc/33/43/88/183334388.db2.gz JJQNDXCUJRPPDT-SNVBAGLBSA-N 0 0 304.415 3.480 1 0 DGAFRN COc1cc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(F)cc1Cl ZINC000103208721 193925413 /nfs/dbraw/zinc/92/54/13/193925413.db2.gz PPDJNYAZNSWLAP-IUCAKERBSA-N 0 0 311.740 3.167 1 0 DGAFRN Nc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1 ZINC000049089853 183711842 /nfs/dbraw/zinc/71/18/42/183711842.db2.gz NQBAVCSPEFZAIN-UHFFFAOYSA-N 0 0 323.381 3.487 1 0 DGAFRN O=C(NC1CCCCC1)N1OC[C@H]2COc3ccccc3[C@@H]21 ZINC000058590970 184124120 /nfs/dbraw/zinc/12/41/20/184124120.db2.gz IYUBLQIEZBXVPP-MLGOLLRUSA-N 0 0 302.374 3.026 1 0 DGAFRN Cn1c(-c2ccc(Cl)cc2)nc2ncnc(N3CCCC3)c21 ZINC000058602836 184124666 /nfs/dbraw/zinc/12/46/66/184124666.db2.gz GVBQHNJPSCBXMT-UHFFFAOYSA-N 0 0 313.792 3.284 1 0 DGAFRN COc1ccc([C@@H](O)c2nc(-c3ccccc3)c[nH]2)c(OC)c1 ZINC000061898364 184193714 /nfs/dbraw/zinc/19/37/14/184193714.db2.gz UBNOYNAWXOWXRK-QGZVFWFLSA-N 0 0 310.353 3.176 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccc(OC)cc1 ZINC000061904121 184194005 /nfs/dbraw/zinc/19/40/05/184194005.db2.gz FADNWQMGTSLSEM-GOSISDBHSA-N 0 0 319.401 3.033 3 0 DGAFRN Cn1cc(-c2coc3c2cccc3C(=O)NCc2ccco2)cn1 ZINC000061908129 184194764 /nfs/dbraw/zinc/19/47/64/184194764.db2.gz XFQUGIDEBCRFRU-UHFFFAOYSA-N 0 0 321.336 3.356 3 0 DGAFRN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000061926300 184195675 /nfs/dbraw/zinc/19/56/75/184195675.db2.gz RVYPWGJNMMBBIV-LBPRGKRZSA-N 0 0 309.793 3.145 3 0 DGAFRN C[C@@H]1CN([S@](=O)C(C)(C)C)[C@@H](CCO)/C1=C\c1ccccc1 ZINC000061943221 184197791 /nfs/dbraw/zinc/19/77/91/184197791.db2.gz UDSDLWCITKWWHE-BNBRUAGXSA-N 0 0 321.486 3.235 3 0 DGAFRN O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1ccncc1 ZINC000061943139 184198001 /nfs/dbraw/zinc/19/80/01/184198001.db2.gz PLNHRZMKFIOSER-MSOLQXFVSA-N 0 0 317.348 3.012 3 0 DGAFRN C=C(C1=CCN([S@](=O)C(C)(C)C)[C@H]1CCO)c1ccccc1 ZINC000061943227 184198018 /nfs/dbraw/zinc/19/80/18/184198018.db2.gz IJISTZMVBMMVKJ-JTSKRJEESA-N 0 0 319.470 3.155 3 0 DGAFRN C[C@@H]1CN([S@@](=O)C(C)(C)C)[C@H](CCO)/C1=C\c1ccccc1 ZINC000061943278 184198043 /nfs/dbraw/zinc/19/80/43/184198043.db2.gz UDSDLWCITKWWHE-TUOMBKHPSA-N 0 0 321.486 3.235 3 0 DGAFRN CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1cc(C)ccc1C ZINC000061895686 184193250 /nfs/dbraw/zinc/19/32/50/184193250.db2.gz WLMZLNOYANDNOJ-GOSISDBHSA-N 0 0 302.418 3.423 3 0 DGAFRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=S)NN)cc1 ZINC000064470310 184298168 /nfs/dbraw/zinc/29/81/68/184298168.db2.gz DWOJNXKZDCBGJF-UHFFFAOYSA-N 0 0 319.817 3.040 1 0 DGAFRN CCn1cc2c(n1)ncnc2Nc1ccc(OC(F)(F)F)cc1 ZINC000064540666 184299368 /nfs/dbraw/zinc/29/93/68/184299368.db2.gz LIDKCGAEWPHGIG-UHFFFAOYSA-N 0 0 323.278 3.488 1 0 DGAFRN COc1cc2c(cc1O)C[C@H](c1ccc(OC)c(OC)c1)CO2 ZINC000064560269 184299423 /nfs/dbraw/zinc/29/94/23/184299423.db2.gz VSLKOCDXHYNFRY-ZDUSSCGKSA-N 0 0 316.353 3.137 1 0 DGAFRN CC(=O)OC[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 ZINC000064573379 184300568 /nfs/dbraw/zinc/30/05/68/184300568.db2.gz SFYSFBCDZMKKQT-VIFPVBQESA-N 0 0 315.152 3.113 1 0 DGAFRN COc1cccc2c1C[C@@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000066075409 184386842 /nfs/dbraw/zinc/38/68/42/184386842.db2.gz GWFJJCPRJHUFIT-SCTDSRPQSA-N 0 0 321.420 3.472 1 0 DGAFRN COc1cccc2c1C[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000066075406 184387104 /nfs/dbraw/zinc/38/71/04/184387104.db2.gz GWFJJCPRJHUFIT-LMMKCTJWSA-N 0 0 321.420 3.472 1 0 DGAFRN CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000008314254 256522780 /nfs/dbraw/zinc/52/27/80/256522780.db2.gz DFNMBVSOMLSDNW-MJBXVCDLSA-N 0 0 318.392 3.049 1 0 DGAFRN Cc1cccc(NC(=O)CN2CCC(c3nccs3)CC2)c1 ZINC000035075417 431824428 /nfs/dbraw/zinc/82/44/28/431824428.db2.gz YJDOUUFJTRPKOU-UHFFFAOYSA-N 0 0 315.442 3.270 1 0 DGAFRN COc1c2c(c3c4c1CCN(C)[C@H]4Cc1ccccc1-3)OCO2 ZINC000014715536 560224823 /nfs/dbraw/zinc/22/48/23/560224823.db2.gz NFEXDKYJEYMIMF-AWEZNQCLSA-N 0 0 309.365 3.176 1 0 biogenic,in-vitro DGAFRN COc1ccc2c(c1)O[C@H](c1cc3c(cc1O)OCO3)CC2 ZINC000014727910 560225228 /nfs/dbraw/zinc/22/52/28/560225228.db2.gz SEXFFYIXMCVNNG-AWEZNQCLSA-N 0 0 300.310 3.196 1 0 biogenic,in-vitro DGAFRN CCCOc1ccccc1-c1nc2cc3[nH]cnc3cc2c(=O)[nH]1 ZINC000008536336 581097845 /nfs/dbraw/zinc/09/78/45/581097845.db2.gz NMWJDNXABGLWBW-UHFFFAOYSA-N 0 0 320.352 3.255 1 0 DGAFRN CCOc1ccccc1-c1nc2c(ncn2C2CCCC2)c(=O)[nH]1 ZINC000028339321 581098294 /nfs/dbraw/zinc/09/82/94/581098294.db2.gz QMMVRSQAVADTQB-UHFFFAOYSA-N 0 0 324.384 3.300 1 0 DGAFRN CC(C)CCN1Cc2ccc(N)cc2N[C@@H](CC(C)C)C1=O ZINC000095583138 185381330 /nfs/dbraw/zinc/38/13/30/185381330.db2.gz VCHDURZDOKIONO-KRWDZBQOSA-N 0 0 303.450 3.484 1 0 DGAFRN CCNC(=O)N=c1[nH]c2ccc(-c3ccccc3Cl)cc2[nH]1 ZINC000095604180 185382363 /nfs/dbraw/zinc/38/23/63/185382363.db2.gz JBVZJUHTCXXPSZ-UHFFFAOYSA-N 0 0 314.776 3.447 1 0 DGAFRN O=C(Nc1cccc(-c2nc3cccnc3[nH]2)c1)c1ccoc1 ZINC000096914410 185391276 /nfs/dbraw/zinc/39/12/76/185391276.db2.gz OZXVAHLFOZZBTP-UHFFFAOYSA-N 0 0 304.309 3.470 1 0 DGAFRN O=C(Nc1[nH]nc2ncc(-c3cccnc3)cc21)C1CCCC1 ZINC000096933047 185392580 /nfs/dbraw/zinc/39/25/80/185392580.db2.gz UBIYGQSBASEDGP-UHFFFAOYSA-N 0 0 307.357 3.149 1 0 DGAFRN COc1cccc(-c2cc(-c3cc(OC)ccc3O)nc(N)n2)c1 ZINC000082149914 192361734 /nfs/dbraw/zinc/36/17/34/192361734.db2.gz LBLXYWCZPUXWEH-UHFFFAOYSA-N 0 0 323.352 3.116 1 0 DGAFRN NC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc32)o1 ZINC000082152952 192361634 /nfs/dbraw/zinc/36/16/34/192361634.db2.gz UYXXSEFWOITDCG-UHFFFAOYSA-N 0 0 317.348 3.444 1 0 DGAFRN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1OC(=O)C(=O)C1Cl ZINC000103285186 185443986 /nfs/dbraw/zinc/44/39/86/185443986.db2.gz AGOYWODTYODLQL-AWEZNQCLSA-N 0 0 304.733 3.095 1 0 DGAFRN COc1cccc2c3c4c(c(OC)c(OC)c3oc21)OCO4 ZINC000064527954 190702268 /nfs/dbraw/zinc/70/22/68/190702268.db2.gz SUYTZNXJVBRFQQ-UHFFFAOYSA-N 0 0 302.282 3.341 1 0 DGAFRN OC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072102402 191036964 /nfs/dbraw/zinc/03/69/64/191036964.db2.gz KHCODUOXAXLWGY-KRWDZBQOSA-N 0 0 302.805 3.281 1 0 DGAFRN COc1ccc(-c2sc3ncnc(N)c3c2C)cc1OC ZINC000072124839 191041306 /nfs/dbraw/zinc/04/13/06/191041306.db2.gz PLSQZNYFZHLXEU-UHFFFAOYSA-N 0 0 301.371 3.266 1 0 DGAFRN Cc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cncnc2)cn1 ZINC000072141213 191049600 /nfs/dbraw/zinc/04/96/00/191049600.db2.gz OSVWOMBSJDRKOJ-KRWDZBQOSA-N 0 0 311.772 3.118 1 0 DGAFRN O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1ccc2c(c1)OCO2 ZINC000072170627 191067854 /nfs/dbraw/zinc/06/78/54/191067854.db2.gz LSHKENAXIBBUFS-UHFFFAOYSA-N 0 0 322.242 3.066 1 0 DGAFRN CS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1 ZINC000072176390 191071373 /nfs/dbraw/zinc/07/13/73/191071373.db2.gz ZITMIMSHKXEBOQ-UHFFFAOYSA-N 0 0 306.774 3.082 1 0 DGAFRN CCCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cn2n1 ZINC000072174847 191071476 /nfs/dbraw/zinc/07/14/76/191071476.db2.gz AHRJZDJBEOTSKE-UHFFFAOYSA-N 0 0 313.357 3.202 1 0 DGAFRN O[C@@](c1cccs1)(c1ccc(Cl)cc1)c1cncnc1 ZINC000072184444 191071809 /nfs/dbraw/zinc/07/18/09/191071809.db2.gz GHQYUMZPYFAPGL-HNNXBMFYSA-N 0 0 302.786 3.476 1 0 DGAFRN CC(=O)c1cc2cc(C(=O)N[C@@H](C)c3ccccc3)cnc2[nH]1 ZINC000072323872 191121866 /nfs/dbraw/zinc/12/18/66/191121866.db2.gz LAUVBSBFJOGFCK-NSHDSACASA-N 0 0 307.353 3.257 2 0 DGAFRN CCO[C@H](c1cc(OC)ccc1OC(=O)[C@H](C)CC)[C@H](C)O ZINC000095911407 290915887 /nfs/dbraw/zinc/91/58/87/290915887.db2.gz QRJCBTSDRZWJLS-WQGACYEGSA-N 0 0 310.390 3.105 1 0 biogenic,in-vitro DGAFRN COc1ccc2c([nH]c(=O)c(/C=C/C(C)C)c2OC)c1OC ZINC000038321679 290917602 /nfs/dbraw/zinc/91/76/02/290917602.db2.gz AUSFEFKKBMKUEI-VOTSOKGWSA-N 0 0 303.358 3.223 1 0 biogenic,in-vitro DGAFRN COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@H]1c1ccccc1 ZINC000073164471 191286491 /nfs/dbraw/zinc/28/64/91/191286491.db2.gz UPUZVXGBHBLVLR-HKUYNNGSSA-N 0 0 310.349 3.077 1 0 DGAFRN COc1ccc2nc(C)c3c(C)nc(-c4ccncc4C)n3c2n1 ZINC000073165010 191286525 /nfs/dbraw/zinc/28/65/25/191286525.db2.gz NASINOLFIIRYNU-UHFFFAOYSA-N 0 0 319.368 3.273 1 0 DGAFRN O=C(C=Cc1cccc(Cl)c1)Nc1nc(-c2ccccc2)n[nH]1 ZINC000073161626 191287380 /nfs/dbraw/zinc/28/73/80/191287380.db2.gz LCUVPRHRXRSSGV-MDZDMXLPSA-N 0 0 324.771 3.199 1 0 DGAFRN Cc1cccc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)n1 ZINC000003955001 181058772 /nfs/dbraw/zinc/05/87/72/181058772.db2.gz KBYHDUINZBMDDJ-OAHLLOKOSA-N 0 0 306.337 3.447 1 0 DGAFRN COCCNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn21 ZINC000004102756 181073491 /nfs/dbraw/zinc/07/34/91/181073491.db2.gz BYNADIAXOKOBFD-UHFFFAOYSA-N 0 0 317.776 3.419 3 0 DGAFRN Cc1cccc(NC(=O)C2(c3cccs3)CCOCC2)n1 ZINC000004273108 181090562 /nfs/dbraw/zinc/09/05/62/181090562.db2.gz ILQFXAXIQXOFLT-UHFFFAOYSA-N 0 0 302.399 3.138 3 0 DGAFRN O=C1c2ccccc2[C@H](Nc2cccnc2)N1c1ccccn1 ZINC000004916099 181172282 /nfs/dbraw/zinc/17/22/82/181172282.db2.gz YOECPTKCMGORAX-QGZVFWFLSA-N 0 0 302.337 3.248 1 0 DGAFRN O=C1[C@@H]2CCCN2[C@@H](c2cccs2)N1c1ccc(F)cc1 ZINC000075403028 191471475 /nfs/dbraw/zinc/47/14/75/191471475.db2.gz DYWAGJFJOGHVDP-DZGCQCFKSA-N 0 0 302.374 3.397 3 0 DGAFRN CCOC(=O)[C@H]1Nc2ccc(OC)cc2[C@@H]2c3ccccc3C[C@@H]21 ZINC000005499749 181250302 /nfs/dbraw/zinc/25/03/02/181250302.db2.gz AAHKFWHWVBZUCP-WDSOQIARSA-N 0 0 323.392 3.357 1 0 DGAFRN CCc1cc(CCc2nc3ccc(F)cc3o2)c(=O)[nH]c1C ZINC000005887051 181292915 /nfs/dbraw/zinc/29/29/15/181292915.db2.gz OCFMONVMNICUIH-UHFFFAOYSA-N 0 0 300.333 3.311 1 0 DGAFRN CCc1cc(NCc2nc3cc(F)ccc3o2)c(=O)[nH]c1C ZINC000005887397 181293159 /nfs/dbraw/zinc/29/31/59/181293159.db2.gz SOGQCRCDBFCYGD-UHFFFAOYSA-N 0 0 301.321 3.138 1 0 DGAFRN Nc1nc2occ(CNc3ccc(Cl)c(Cl)c3)c2c(N)n1 ZINC000005973993 181302938 /nfs/dbraw/zinc/30/29/38/181302938.db2.gz IQXPYLVUVFJOHY-UHFFFAOYSA-N 0 0 324.171 3.306 1 0 DGAFRN COc1c2cc(O)ccc2oc1-c1cc(O)c(OC)c(O)c1 ZINC000005998715 181304285 /nfs/dbraw/zinc/30/42/85/181304285.db2.gz CAEHKJSYOQDIJH-UHFFFAOYSA-N 0 0 302.282 3.234 1 0 biogenic,in-vitro DGAFRN Nc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1 ZINC000006345630 181333339 /nfs/dbraw/zinc/33/33/39/181333339.db2.gz KOJQBMJLKZBPFG-UHFFFAOYSA-N 0 0 309.354 3.233 3 0 DGAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OC)cc3O[C@H]21 ZINC000006484852 181344953 /nfs/dbraw/zinc/34/49/53/181344953.db2.gz KIKDCPYSYOMXEJ-SJKOYZFVSA-N 0 0 300.310 3.019 1 0 endogenous,in-man DGAFRN O=C1c2ccccc2S[C@](O)(c2ccccc2)[C@@H]2CCCN12 ZINC000006581997 181356973 /nfs/dbraw/zinc/35/69/73/181356973.db2.gz NOBKWXHTKUURTH-FUHWJXTLSA-N 0 0 311.406 3.242 1 0 DGAFRN CCn1c2ccccc2c2nnc(NCc3ccccn3)nc21 ZINC000006781636 181387907 /nfs/dbraw/zinc/38/79/07/181387907.db2.gz AXVYSRTXIUIKOD-UHFFFAOYSA-N 0 0 304.357 3.007 1 0 DGAFRN CCCNC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1C ZINC000006808983 181392712 /nfs/dbraw/zinc/39/27/12/181392712.db2.gz XEGPYVDOZJSVOV-UHFFFAOYSA-N 0 0 322.412 3.082 1 0 DGAFRN COc1ccc(Nc2ncnc3c2nc2n3CCCCC2)cc1 ZINC000006899615 181403105 /nfs/dbraw/zinc/40/31/05/181403105.db2.gz IFHJMBJNKXXWOI-UHFFFAOYSA-N 0 0 309.373 3.305 1 0 DGAFRN Cn1nc(C(=O)NC2CCCCC2)c2c1-c1ccsc1CC2 ZINC000006917429 181406211 /nfs/dbraw/zinc/40/62/11/181406211.db2.gz QERGHNHVFGPPPH-UHFFFAOYSA-N 0 0 315.442 3.310 1 0 DGAFRN CN(Cc1ccco1)C(=O)c1noc2c1CCc1sccc1-2 ZINC000006915969 181406215 /nfs/dbraw/zinc/40/62/15/181406215.db2.gz FDVDOFDZVIOWNB-UHFFFAOYSA-N 0 0 314.366 3.367 1 0 DGAFRN Cc1ccc2c(c1)-c1onc(C(=O)N(C)Cc3ccco3)c1CO2 ZINC000009439948 181621632 /nfs/dbraw/zinc/62/16/32/181621632.db2.gz RKCZLBBBPUOAMS-UHFFFAOYSA-N 0 0 324.336 3.408 1 0 DGAFRN C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2cccnc2)=NO1 ZINC000012726964 181790851 /nfs/dbraw/zinc/79/08/51/181790851.db2.gz DFUXEEQLHICNNQ-KRWDZBQOSA-N 0 0 324.315 3.311 3 0 DGAFRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1C=C[C@H]2CC1 ZINC000013154544 181835036 /nfs/dbraw/zinc/83/50/36/181835036.db2.gz QCKPIKBKCZBMEY-DHPDLVEQSA-N 0 0 321.298 3.407 1 0 DGAFRN CC1(C)Cc2c(-c3cc[nH]n3)sc(SCCO)c2C(=O)C1 ZINC000013472682 181853243 /nfs/dbraw/zinc/85/32/43/181853243.db2.gz ASUXILMTDDVWPD-UHFFFAOYSA-N 0 0 322.455 3.378 1 0 DGAFRN COc1cc(OC)c2c(c1O)O[C@@H](c1ccccc1)CC2=O ZINC000013660250 181875075 /nfs/dbraw/zinc/87/50/75/181875075.db2.gz TVWVHFSJQNXIRZ-GFCCVEGCSA-N 0 0 300.310 3.116 3 0 biogenic,in-vitro DGAFRN COc1ccc(N[C@@H]2C[C@@H]3CCN4C(=O)CCC[C@H](C2)[C@H]34)cc1 ZINC000013814080 181900811 /nfs/dbraw/zinc/90/08/11/181900811.db2.gz YYWKMSBHUKUFKR-PGSNGQOISA-N 0 0 314.429 3.287 1 0 DGAFRN COc1cccc2c1/C(=C/c1c(OC)cccc1OC)OC2=O ZINC000018119483 182094026 /nfs/dbraw/zinc/09/40/26/182094026.db2.gz QWVIZGZSFKXYGN-YBEGLDIGSA-N 0 0 312.321 3.381 1 0 DGAFRN CC(C)CCNc1nccn(-c2ccc(F)c(Cl)c2)c1=O ZINC000021536982 182279001 /nfs/dbraw/zinc/27/90/01/182279001.db2.gz YKQNROVTPUWAJJ-UHFFFAOYSA-N 0 0 309.772 3.483 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)[C@H]1c2cc(O)ccc2[C@]1(O)CC3 ZINC000026577843 182446450 /nfs/dbraw/zinc/44/64/50/182446450.db2.gz DRTVXVPXPKCYMC-RTBURBONSA-N 0 0 307.349 3.161 1 0 DGAFRN O=C1N[C@@H]2CCCCC[C@H]2N1c1nc2cc(F)cc(F)c2o1 ZINC000026657154 182449328 /nfs/dbraw/zinc/44/93/28/182449328.db2.gz ZRPUPUBWCXFOCY-ZYHUDNBSSA-N 0 0 307.300 3.337 1 0 DGAFRN CCOC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1 ZINC000027418120 182472343 /nfs/dbraw/zinc/47/23/43/182472343.db2.gz YJQHPUHYMDFTKN-UHFFFAOYSA-N 0 0 315.354 3.424 1 0 DGAFRN CN(C)c1ccc(-c2cc(C3CC3)c3c(N)ncnc3n2)cc1 ZINC000027986600 182502303 /nfs/dbraw/zinc/50/23/03/182502303.db2.gz APFIWEOALQSTJM-UHFFFAOYSA-N 0 0 305.385 3.217 1 0 DGAFRN COC(=O)[C@H]1COc2c1cc(Cl)cc2C(=O)c1ccccc1 ZINC000027998786 182503591 /nfs/dbraw/zinc/50/35/91/182503591.db2.gz HRLOHBLOFYMACR-AWEZNQCLSA-N 0 0 316.740 3.220 1 0 DGAFRN CCN(CC)C(=S)SCc1ccc2nc(C)[nH]c(=O)c2c1 ZINC000028333482 182521190 /nfs/dbraw/zinc/52/11/90/182521190.db2.gz ATOPQWWIJDHJCG-UHFFFAOYSA-N 0 0 321.471 3.091 1 0 DGAFRN O=C(OCCO)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000028957310 182547110 /nfs/dbraw/zinc/54/71/10/182547110.db2.gz XEKOGGCKFOLDIR-UHFFFAOYSA-N 0 0 301.169 3.466 1 0 DGAFRN COc1cccc2c1C(NCC(C)(C)c1ccccc1)=NC2=O ZINC000034949204 182746217 /nfs/dbraw/zinc/74/62/17/182746217.db2.gz WVNWIKASGFTXTN-UHFFFAOYSA-N 0 0 308.381 3.163 1 0 DGAFRN CC1=Nc2ncnn2[C@H](c2cccc(F)c2)C1C(=O)OC(C)C ZINC000101483379 193814376 /nfs/dbraw/zinc/81/43/76/193814376.db2.gz VDHWJEDSLINIDX-SXWSKBOKSA-N 0 0 316.336 3.307 1 0 aggregator DGAFRN Oc1c2nc3cccc(Cl)c3c-2ncn1Cc1ccncc1 ZINC000101467502 193814609 /nfs/dbraw/zinc/81/46/09/193814609.db2.gz DLINJOVHLPVHKV-UHFFFAOYSA-N 0 0 310.744 3.338 1 0 DGAFRN COc1ccc2oc(=O)cc(-c3ccc(OC)c(OC)c3)c2c1 ZINC000038983026 183013395 /nfs/dbraw/zinc/01/33/95/183013395.db2.gz LTVMHNDFHNMBGA-UHFFFAOYSA-N 0 0 312.321 3.486 1 0 DGAFRN C[C@@H](C(N)=O)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000039310053 183016155 /nfs/dbraw/zinc/01/61/55/183016155.db2.gz KJANFQGATFVZPD-WXHSDQCUSA-N 0 0 303.427 3.370 1 0 DGAFRN O=C1CN2O[C@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000040391735 183059826 /nfs/dbraw/zinc/05/98/26/183059826.db2.gz YUPJZQFUZQPFTM-NYRJJRHWSA-N 0 0 321.163 3.394 1 0 DGAFRN COc1ccc2c(c1)c1c(c(=O)[nH]cc1-c1ccc(O)cc1)n2C ZINC000040393382 183060870 /nfs/dbraw/zinc/06/08/70/183060870.db2.gz NFHXKIISJSMBIW-UHFFFAOYSA-N 0 0 320.348 3.401 1 0 DGAFRN C[C@@]12Oc3ccccc3C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000040402631 183061297 /nfs/dbraw/zinc/06/12/97/183061297.db2.gz TWTOBFWKWUSDSI-IBGZPJMESA-N 0 0 304.349 3.432 1 0 DGAFRN CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@@]3(O)C[C@]12CC[C@]3(C)O ZINC000040423002 183065087 /nfs/dbraw/zinc/06/50/87/183065087.db2.gz DONWJGAGEUZIAG-SQBWRZAASA-N 0 0 322.489 3.256 1 0 DGAFRN Nc1ncnc2c1nc(Br)n2C1CCCCCC1 ZINC000040914229 183147929 /nfs/dbraw/zinc/14/79/29/183147929.db2.gz JMSCEGYZXSOMTL-UHFFFAOYSA-N 0 0 310.199 3.066 1 0 DGAFRN C[C@@H]1CN(Cc2ccc(-c3ccc(F)c(F)c3)cn2)C(=O)O1 ZINC000040937069 183148895 /nfs/dbraw/zinc/14/88/95/183148895.db2.gz KNRPZXZZIUPJGN-SNVBAGLBSA-N 0 0 304.296 3.368 1 0 DGAFRN Fc1ccc([C@H](c2cn(-c3ccccc3)nn2)n2ccnc2)cc1 ZINC000040976366 183153873 /nfs/dbraw/zinc/15/38/73/183153873.db2.gz VQONRFQUJPDYNB-GOSISDBHSA-N 0 0 319.343 3.241 1 0 DGAFRN COc1cc(OC)c2c(=O)cc(/C=C/c3ccncc3)oc2c1 ZINC000043009857 183327865 /nfs/dbraw/zinc/32/78/65/183327865.db2.gz RPXNRFRAEGJMPG-ONEGZZNKSA-N 0 0 309.321 3.376 1 0 DGAFRN Nc1c(C(=O)c2ccccc2)cc[n+]([O-])c1-c1ccc(Cl)cc1 ZINC000043019697 183329180 /nfs/dbraw/zinc/32/91/80/183329180.db2.gz GXTJOHAISBVKCF-UHFFFAOYSA-N 0 0 324.767 3.454 1 0 DGAFRN O=C(NC(=O)c1c(O)cccc1O)Nc1cccc2ccccc21 ZINC000043022470 183330566 /nfs/dbraw/zinc/33/05/66/183330566.db2.gz CTSGSDZMMLKPCM-UHFFFAOYSA-N 0 0 322.320 3.213 1 0 DGAFRN COc1ccccc1/C(=C\c1coc2nc(N)nc(N)c12)C1CC1 ZINC000045347910 183498920 /nfs/dbraw/zinc/49/89/20/183498920.db2.gz PUOLMVSSUQSKAQ-JYRVWZFOSA-N 0 0 322.368 3.346 1 0 DGAFRN O=c1c(-c2ccccc2)nnc2n1CCN2c1ccccc1Cl ZINC000045245696 183490615 /nfs/dbraw/zinc/49/06/15/183490615.db2.gz VFGJOYXNQWYKIS-UHFFFAOYSA-N 0 0 324.771 3.110 1 0 DGAFRN COc1ccc2oc(C(=O)N(C)c3ccc(OC)nc3)cc2c1 ZINC000049072811 183710433 /nfs/dbraw/zinc/71/04/33/183710433.db2.gz NBJTYXILLGTADB-UHFFFAOYSA-N 0 0 312.325 3.122 1 0 DGAFRN Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NN2C ZINC000060085058 184144165 /nfs/dbraw/zinc/14/41/65/184144165.db2.gz UYIVCPRWMLOCSB-UHFFFAOYSA-N 0 0 323.787 3.431 1 0 in-vitro DGAFRN CCOC(=O)[C@]1(C)CCN1C(=O)c1cc2ccccc2s1 ZINC000061897309 184193456 /nfs/dbraw/zinc/19/34/56/184193456.db2.gz VNDNHPFRPJPUJJ-INIZCTEOSA-N 0 0 303.383 3.069 3 0 DGAFRN COc1ccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)cn1 ZINC000061903671 184193461 /nfs/dbraw/zinc/19/34/61/184193461.db2.gz YJGKKJYTGDECBU-OAHLLOKOSA-N 0 0 316.357 3.435 3 0 DGAFRN [NH3+][C@H](Cc1ccc(F)cc1)c1csc([N-]c2ncccn2)n1 ZINC000061902809 184193502 /nfs/dbraw/zinc/19/35/02/184193502.db2.gz HVRBMHAMUMSISP-GFCCVEGCSA-N 0 0 315.377 3.058 3 0 DGAFRN [NH3+][C@@H](Cc1ccc(F)cc1)c1csc([N-]c2ncccn2)n1 ZINC000061902810 184193776 /nfs/dbraw/zinc/19/37/76/184193776.db2.gz HVRBMHAMUMSISP-LBPRGKRZSA-N 0 0 315.377 3.058 3 0 DGAFRN Cc1ccc(C)c(NC(=O)[C@]2(C)CCCN2C(=O)C(C)C)c1 ZINC000061904490 184194279 /nfs/dbraw/zinc/19/42/79/184194279.db2.gz YFTZIIYOLYZLGK-SFHVURJKSA-N 0 0 302.418 3.279 3 0 DGAFRN CC[C@H](CO)Nc1ccn2nc(-c3cccc(Cl)c3)cc2n1 ZINC000061926994 184196174 /nfs/dbraw/zinc/19/61/74/184196174.db2.gz MZEUYIHITUDMJZ-CYBMUJFWSA-N 0 0 316.792 3.233 3 0 DGAFRN CCC(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000061927324 184196443 /nfs/dbraw/zinc/19/64/43/184196443.db2.gz CEMJSMMDDFDOMK-AWEZNQCLSA-N 0 0 315.200 3.333 3 0 DGAFRN O=C(NCc1cccnc1)c1cncc(-c2ccc(Cl)cc2)n1 ZINC000064447754 184297505 /nfs/dbraw/zinc/29/75/05/184297505.db2.gz RTLCJBCGHVLAIU-UHFFFAOYSA-N 0 0 324.771 3.122 1 0 DGAFRN O=C(c1cc2cc(O)ccc2[nH]1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000066080264 184387858 /nfs/dbraw/zinc/38/78/58/184387858.db2.gz QMMZEZYXPWFXML-MRXNPFEDSA-N 0 0 323.348 3.272 1 0 DGAFRN Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1 ZINC000066258395 184399481 /nfs/dbraw/zinc/39/94/81/184399481.db2.gz VIRCFKHDGYKTAH-UHFFFAOYSA-N 0 0 321.789 3.000 1 0 DGAFRN FC(F)(F)[C@@H]1CCCn2c(CNCc3ccsc3)nnc21 ZINC000089885463 431884041 /nfs/dbraw/zinc/88/40/41/431884041.db2.gz ALFWSMCDOZAHJS-SNVBAGLBSA-N 0 0 316.352 3.069 1 0 DGAFRN CC1(C)CC(=O)C[C@@]2(C)[C@H]1C[C@H](O)[C@H]1C[C@H]3C[C@]12CC=C3CO ZINC000038877933 560081830 /nfs/dbraw/zinc/08/18/30/560081830.db2.gz CBQUMHYLVNBYOF-HMCHMAKXSA-N 0 0 318.457 3.098 1 0 biogenic,in-vitro DGAFRN COC(=O)N1CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000014687794 560100178 /nfs/dbraw/zinc/10/01/78/560100178.db2.gz XBZPCDCYDZGHSV-AWEZNQCLSA-N 0 0 323.348 3.304 1 0 endogenous,in-man DGAFRN CCCCC[C@@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC ZINC000013385679 560216305 /nfs/dbraw/zinc/21/63/05/560216305.db2.gz UNQFHHAPQIDJED-YQFWSFKMSA-N 0 0 322.449 3.397 1 0 in-vitro DGAFRN COc1cc(O)cc(/C=C/c2ccc(OC)c(O)c2OC)c1 ZINC000015113736 560228357 /nfs/dbraw/zinc/22/83/57/560228357.db2.gz DYWOJJOORBDHBP-SNAWJCMRSA-N 0 0 302.326 3.294 1 0 in-vitro DGAFRN Cc1c(C)c(=O)oc2cc(OCc3nc(C(C)C)no3)ccc12 ZINC000028219379 581091320 /nfs/dbraw/zinc/09/13/20/581091320.db2.gz ATJSVKLWCNAWSW-UHFFFAOYSA-N 0 0 314.341 3.495 1 0 DGAFRN Nc1nc2c(ncn2CCCc2ccccc2)c(-c2ccco2)n1 ZINC000028523787 581095979 /nfs/dbraw/zinc/09/59/79/581095979.db2.gz KUBCULDZDHDDSR-UHFFFAOYSA-N 0 0 319.368 3.301 1 0 DGAFRN NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc21 ZINC000045290985 581100479 /nfs/dbraw/zinc/10/04/79/581100479.db2.gz SNSYYJLSJTUZMP-UHFFFAOYSA-N 0 0 314.348 3.391 1 0 DGAFRN Cc1nc(N)cc(-c2cccnc2Nc2cccc3n[nH]cc32)n1 ZINC000095553263 185379011 /nfs/dbraw/zinc/37/90/11/185379011.db2.gz WHJXPQMHEGTMAA-UHFFFAOYSA-N 0 0 317.356 3.049 1 0 DGAFRN Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3ccsc3)cc2)cc1=O ZINC000095553438 185379360 /nfs/dbraw/zinc/37/93/60/185379360.db2.gz JGXXFOVQCDSDRK-GJZGRUSLSA-N 0 0 323.421 3.362 1 0 DGAFRN CN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1 ZINC000095556258 185379709 /nfs/dbraw/zinc/37/97/09/185379709.db2.gz VNFKNZZMHWECIY-UHFFFAOYSA-N 0 0 318.329 3.123 1 0 DGAFRN O=C1CCc2cc([C@H](C3CCC3)n3ccnc3)cc3c2N1CC3 ZINC000095556059 185379736 /nfs/dbraw/zinc/37/97/36/185379736.db2.gz VLMXTDCZRRXWOY-SFHVURJKSA-N 0 0 307.397 3.108 1 0 DGAFRN O[C@@H](Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl ZINC000095574897 185380499 /nfs/dbraw/zinc/38/04/99/185380499.db2.gz CGWJOHXRJWEHLD-AWEZNQCLSA-N 0 0 308.168 3.472 1 0 DGAFRN Oc1cc([C@H](O)C(F)(F)F)ccc1Oc1cccc(F)n1 ZINC000095573496 185380575 /nfs/dbraw/zinc/38/05/75/185380575.db2.gz PHHYWTZCLMDQLC-LBPRGKRZSA-N 0 0 303.211 3.314 1 0 DGAFRN c1ccc(CNc2c(-c3ccncc3)nc3cnccn32)cc1 ZINC000095577054 185380875 /nfs/dbraw/zinc/38/08/75/185380875.db2.gz KVSGUUDSIVWNBH-UHFFFAOYSA-N 0 0 301.353 3.403 1 0 DGAFRN Cc1c(C(=O)Nc2ccc(C)cn2)nn(C)c1-c1ccc(F)cc1 ZINC000095601163 185382352 /nfs/dbraw/zinc/38/23/52/185382352.db2.gz VOZTVDTYJWDULD-UHFFFAOYSA-N 0 0 324.359 3.490 1 0 DGAFRN CCNC(=O)N=c1[nH]c2ccc(-c3c(C)cccc3C)cc2[nH]1 ZINC000095602455 185382485 /nfs/dbraw/zinc/38/24/85/185382485.db2.gz OYXRIUTXRHQHEA-UHFFFAOYSA-N 0 0 308.385 3.410 1 0 DGAFRN Nc1nc(NCCc2ccccc2)c2c(n1)-c1ccccc1CC2 ZINC000082157968 185174169 /nfs/dbraw/zinc/17/41/69/185174169.db2.gz VJZQCTYRWVPQRX-UHFFFAOYSA-N 0 0 316.408 3.479 1 0 DGAFRN C[C@]1(c2cccc(-c3cncnc3)c2)NC(=N)c2ccccc2O1 ZINC000096906047 185390830 /nfs/dbraw/zinc/39/08/30/185390830.db2.gz UDZOLWLMXRBGHJ-IBGZPJMESA-N 0 0 316.364 3.114 1 0 DGAFRN CNC(=O)c1cc(Cl)cc(N(C)c2ccc(OC)cc2)c1 ZINC000096910976 185390965 /nfs/dbraw/zinc/39/09/65/185390965.db2.gz UOSMAUJRTJCCEL-UHFFFAOYSA-N 0 0 304.777 3.476 1 0 DGAFRN O=c1[nH]cnc2ccc(Oc3ncccc3C(F)(F)F)cc21 ZINC000096923003 185391641 /nfs/dbraw/zinc/39/16/41/185391641.db2.gz PIAFMWSCIWPVHM-UHFFFAOYSA-N 0 0 307.231 3.129 1 0 DGAFRN CCCCn1c(=O)c(C(=O)NC(C)C)cc2c1CCCCCC2 ZINC000096929215 185392319 /nfs/dbraw/zinc/39/23/19/185392319.db2.gz UACCBPYRSMYMSJ-UHFFFAOYSA-N 0 0 318.461 3.446 1 0 DGAFRN COc1ccc2oc(=O)c3c(C)nn(-c4ccccc4)c3c2c1 ZINC000096928585 185392385 /nfs/dbraw/zinc/39/23/85/185392385.db2.gz PUUHURQVIRZJNU-UHFFFAOYSA-N 0 0 306.321 3.449 1 0 DGAFRN CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1cccnc1 ZINC000082155585 192362281 /nfs/dbraw/zinc/36/22/81/192362281.db2.gz CXCAQDOISZTLLX-IBGZPJMESA-N 0 0 317.348 3.474 1 0 DGAFRN Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)no1 ZINC000013985169 190639304 /nfs/dbraw/zinc/63/93/04/190639304.db2.gz KXBNLKGEYKHKAO-UHFFFAOYSA-N 0 0 307.309 3.254 1 0 in-vitro DGAFRN O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2ccnc21 ZINC000169319432 197740649 /nfs/dbraw/zinc/74/06/49/197740649.db2.gz XWGKDETWLFZZQE-QGZVFWFLSA-N 0 0 309.756 3.368 1 0 DGAFRN CNC(=O)[C@H](OC)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000103177068 185436877 /nfs/dbraw/zinc/43/68/77/185436877.db2.gz SAKNBHMYJVVXHO-MRXNPFEDSA-N 0 0 319.788 3.353 1 0 DGAFRN CNC(=O)[C@H](OC)c1cccc(COc2c(C)cccc2C)c1 ZINC000103199708 185437903 /nfs/dbraw/zinc/43/79/03/185437903.db2.gz XLBYNUJLKDIKMK-GOSISDBHSA-N 0 0 313.397 3.316 1 0 DGAFRN O=C(Nc1ccccc1)c1c(NO)cc(-c2ccccc2)oc1=O ZINC000103238568 185440084 /nfs/dbraw/zinc/44/00/84/185440084.db2.gz YRMZYUSUCSHOND-UHFFFAOYSA-N 0 0 322.320 3.360 1 0 DGAFRN CC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 ZINC000072136043 191047071 /nfs/dbraw/zinc/04/70/71/191047071.db2.gz ICUPNNXGYLNISZ-GWCFXTLKSA-N 0 0 306.362 3.012 3 0 DGAFRN c1ccc(-c2nnc3n2N=Cc2cc4ccccc4nc2N3)cc1 ZINC000072175660 191070753 /nfs/dbraw/zinc/07/07/53/191070753.db2.gz JZNWJCSCYKJENC-UHFFFAOYSA-N 0 0 312.336 3.433 1 0 DGAFRN CCOC(=O)c1nn(C(=O)c2ccccc2C)c2ccccc21 ZINC000072176839 191070874 /nfs/dbraw/zinc/07/08/74/191070874.db2.gz SWHUMJQPKOJQJS-UHFFFAOYSA-N 0 0 308.337 3.210 1 0 DGAFRN O=C(Nc1ccccc1)c1ccc2cc3n(c2c1)CCCNC3=O ZINC000073160037 191287123 /nfs/dbraw/zinc/28/71/23/191287123.db2.gz NMSKCMQPIFOSHU-UHFFFAOYSA-N 0 0 319.364 3.027 1 0 DGAFRN Cc1ccc(C(=O)NC2=N[C@]3(CCCCO3)CCS2)cc1 ZINC000003598535 181038361 /nfs/dbraw/zinc/03/83/61/181038361.db2.gz CHFQSBBFEGASHF-INIZCTEOSA-N 0 0 304.415 3.115 1 0 DGAFRN O=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1CCCN1C2=O ZINC000003870494 181050884 /nfs/dbraw/zinc/05/08/84/181050884.db2.gz KLVYMYQTRZCMLE-ZDUSSCGKSA-N 0 0 308.341 3.016 1 0 DGAFRN OCc1coc(-c2nn(Cc3ccccc3)c3ccccc32)n1 ZINC000073199131 191291008 /nfs/dbraw/zinc/29/10/08/191291008.db2.gz LEAFRAWGHOMPDQ-UHFFFAOYSA-N 0 0 305.337 3.232 1 0 DGAFRN CC1=C(C(=O)N2CCCCCC2)C2(CCC(C)CC2)OC1=O ZINC000004034996 181065144 /nfs/dbraw/zinc/06/51/44/181065144.db2.gz IJQDQFALBIQPLA-UHFFFAOYSA-N 0 0 305.418 3.211 3 0 DGAFRN COCO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1 ZINC000073223898 191295797 /nfs/dbraw/zinc/29/57/97/191295797.db2.gz UGGLYQWQTKDJNR-RBUKOAKNSA-N 0 0 323.396 3.424 1 0 DGAFRN CCCC(=O)N1N=C(c2cc(OC)ccc2N)SC1(C)C ZINC000073292971 191300765 /nfs/dbraw/zinc/30/07/65/191300765.db2.gz CDPSIERHFOPBOB-UHFFFAOYSA-N 0 0 307.419 3.051 1 0 DGAFRN CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccnc2ccccc12 ZINC000005847124 181289381 /nfs/dbraw/zinc/28/93/81/181289381.db2.gz XCNMLJAAODNFHW-UHFFFAOYSA-N 0 0 321.424 3.451 1 0 DGAFRN CCc1cc(NCc2nc3ccc(F)cc3o2)c(=O)[nH]c1C ZINC000005887412 181292839 /nfs/dbraw/zinc/29/28/39/181292839.db2.gz APDHUJJIDGNOLY-UHFFFAOYSA-N 0 0 301.321 3.138 1 0 DGAFRN CSc1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C ZINC000005891352 181293707 /nfs/dbraw/zinc/29/37/07/181293707.db2.gz HGEJKDYHOFGJKH-UHFFFAOYSA-N 0 0 301.371 3.159 1 0 DGAFRN CCCCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O ZINC000006380042 181335919 /nfs/dbraw/zinc/33/59/19/181335919.db2.gz XQBUZEFBJZRXPO-UHFFFAOYSA-N 0 0 300.402 3.051 1 0 DGAFRN COc1cc2c(cc1OC)[C@H]1Cc3sccc3CN1CC2 ZINC000006403846 181338397 /nfs/dbraw/zinc/33/83/97/181338397.db2.gz KWTDXOQFFPKFDT-CQSZACIVSA-N 0 0 301.411 3.421 1 0 DGAFRN COc1ccc2c(c1)O[C@@H]1c3ccc(OC)c(O)c3OC[C@H]21 ZINC000006458017 181342554 /nfs/dbraw/zinc/34/25/54/181342554.db2.gz YHSXPHNOIMTWTH-MLGOLLRUSA-N 0 0 300.310 3.019 1 0 endogenous,in-man DGAFRN FC(F)(F)c1nc(NC[C@H]2CCCO2)nc2c1CCCCC2 ZINC000006814477 181394402 /nfs/dbraw/zinc/39/44/02/181394402.db2.gz SAAQQOPUFLDPKF-SNVBAGLBSA-N 0 0 315.339 3.355 1 0 DGAFRN CC(=O)c1[nH]c(C)c(C(=O)NCc2ccccc2Cl)c1C ZINC000006818773 181394906 /nfs/dbraw/zinc/39/49/06/181394906.db2.gz ZFIPGAZHPHTGBD-UHFFFAOYSA-N 0 0 304.777 3.418 1 0 DGAFRN CCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c(=O)onc21 ZINC000013641926 181871913 /nfs/dbraw/zinc/87/19/13/181871913.db2.gz AJWZHXWZYWGYIH-CQSZACIVSA-N 0 0 324.789 3.292 1 0 DGAFRN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cncnc21 ZINC000013779515 181895121 /nfs/dbraw/zinc/89/51/21/181895121.db2.gz RLOPQMSTUDIOLX-UHFFFAOYSA-N 0 0 306.152 3.302 1 0 DGAFRN CC(=O)N(C(C)=O)c1nc(-c2ccccn2)cc2ccccc21 ZINC000013781345 181895524 /nfs/dbraw/zinc/89/55/24/181895524.db2.gz CIILNTHAXNCHDE-UHFFFAOYSA-N 0 0 305.337 3.196 1 0 DGAFRN CC1(C)CN2C(=N1)c1ccccc1[C@]2(O)c1ccc(Cl)cc1 ZINC000013760550 181891503 /nfs/dbraw/zinc/89/15/03/181891503.db2.gz XEUNLTQABDZKBW-GOSISDBHSA-N 0 0 312.800 3.388 1 0 DGAFRN O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccc(O)cc3)nn21 ZINC000013860981 181907647 /nfs/dbraw/zinc/90/76/47/181907647.db2.gz BMLUHPSCJSEBBI-UHFFFAOYSA-N 0 0 312.716 3.009 1 0 DGAFRN O=C(N[C@@H]1CCc2ccccc21)C(=O)c1c[nH]c2ccccc12 ZINC000013863234 181908051 /nfs/dbraw/zinc/90/80/51/181908051.db2.gz HPOOEGNMALNZJV-QGZVFWFLSA-N 0 0 304.349 3.154 1 0 in-vivo DGAFRN COc1ccc2c(OC)c(CC=C(C)C)c(=O)n(C)c2c1OC ZINC000014679259 181965441 /nfs/dbraw/zinc/96/54/41/181965441.db2.gz RKOPYQDWUOSPQI-UHFFFAOYSA-N 0 0 317.385 3.073 1 0 DGAFRN O=C(Nc1ccccc1)O[C@H]1C[C@@H]2CCN3C(=O)CC[C@H](C1)[C@H]23 ZINC000015935020 182025021 /nfs/dbraw/zinc/02/50/21/182025021.db2.gz PDIQKZLINZIJLH-IARIHHJXSA-N 0 0 314.385 3.025 3 0 DGAFRN CCCn1c2ccccc2nc1[C@@H](CO)Nc1nc(C)cs1 ZINC000015937212 182025594 /nfs/dbraw/zinc/02/55/94/182025594.db2.gz OAPPARNKGPXLDF-CYBMUJFWSA-N 0 0 316.430 3.357 3 0 DGAFRN Cc1cccc2c(=O)c(NC(=O)N3C[C@H](C)C[C@@H](C)C3)c[nH]c12 ZINC000020463395 182221068 /nfs/dbraw/zinc/22/10/68/182221068.db2.gz DMRLXSNIQCVOJJ-VXGBXAGGSA-N 0 0 313.401 3.346 1 0 DGAFRN O=C(CCn1c2ccccc2oc1=S)NCc1ccccn1 ZINC000020756835 182245718 /nfs/dbraw/zinc/24/57/18/182245718.db2.gz NDLWBOCFQOBWKE-UHFFFAOYSA-N 0 0 313.382 3.065 1 0 DGAFRN CC(C)CN1C[C@@H](c2nc(-c3cccc(F)c3)c[nH]2)CC1=O ZINC000023153662 182352138 /nfs/dbraw/zinc/35/21/38/182352138.db2.gz PQSFYFWFXIOAGA-ZDUSSCGKSA-N 0 0 301.365 3.188 1 0 DGAFRN Cc1ccc(CNC(=O)Nc2nnc(-c3cccs3)s2)o1 ZINC000023582122 182364064 /nfs/dbraw/zinc/36/40/64/182364064.db2.gz SUXXIHAFCZIOIO-UHFFFAOYSA-N 0 0 320.399 3.490 1 0 DGAFRN CC1(C)C(=O)NN=C1c1ccc2[nH]c(-c3ccncc3)cc2c1 ZINC000026732930 182452175 /nfs/dbraw/zinc/45/21/75/182452175.db2.gz MFLDSQRRQCRIHM-UHFFFAOYSA-N 0 0 304.353 3.090 1 0 DGAFRN CCCC[C@H]1C(=O)N=C2Nc3sc4c(c3CN21)CCCC4 ZINC000027212478 182465019 /nfs/dbraw/zinc/46/50/19/182465019.db2.gz NAUGSKFTMWMTJX-LBPRGKRZSA-N 0 0 303.431 3.309 1 0 DGAFRN COc1ccccc1OC[C@@H]1SCCN1C(=O)C(C)(C)C ZINC000027626132 182482515 /nfs/dbraw/zinc/48/25/15/182482515.db2.gz DGIAVKPLICCVLK-AWEZNQCLSA-N 0 0 309.431 3.022 1 0 DGAFRN Cc1cc(Cl)cc(C[S@@](=O)c2nc3ccccc3[nH]2)c1N ZINC000028229150 182513030 /nfs/dbraw/zinc/51/30/30/182513030.db2.gz CPVGJJQMPNXGNY-NRFANRHFSA-N 0 0 319.817 3.415 1 0 DGAFRN Cc1cc([C@@H](c2ccc(C)cc2)N2CCN(C)CC2)sn1 ZINC000028252051 182517625 /nfs/dbraw/zinc/51/76/25/182517625.db2.gz FANUDQRUPUBLSE-QGZVFWFLSA-N 0 0 301.459 3.097 1 0 DGAFRN COc1ccc(-n2c3cssc-3c(NC(C)=O)c2=O)cc1 ZINC000028714453 182537001 /nfs/dbraw/zinc/53/70/01/182537001.db2.gz QGMNTXQUDYCSGJ-UHFFFAOYSA-N 0 0 320.395 3.032 1 0 DGAFRN COc1cc(-c2ncc3ccc(C)nc3n2)cc(OC)c1OC ZINC000028826517 182540776 /nfs/dbraw/zinc/54/07/76/182540776.db2.gz VZCMIAZMXSMMBV-UHFFFAOYSA-N 0 0 311.341 3.026 1 0 DGAFRN Cc1ccc([C@@H]2OC[C@@H](NC(=O)c3ccccc3)[C@H](C)O2)cc1 ZINC000028826481 182540963 /nfs/dbraw/zinc/54/09/63/182540963.db2.gz BTJYYEQOWMIFLV-POZUXBRTSA-N 0 0 311.381 3.228 1 0 DGAFRN O=C(c1c[nH]c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000036331893 182816529 /nfs/dbraw/zinc/81/65/29/182816529.db2.gz YPDZZZLZLPJZHO-DOTOQJQBSA-N 0 0 309.394 3.149 1 0 DGAFRN CC(C)[C@@H](Nc1cccc(Cl)c1)C(=O)N1CCCCN1C#N ZINC000040421941 183064595 /nfs/dbraw/zinc/06/45/95/183064595.db2.gz UJHQYDKTGZAAFX-OAHLLOKOSA-N 0 0 320.824 3.097 1 0 DGAFRN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccsc2)N1 ZINC000040786554 183133870 /nfs/dbraw/zinc/13/38/70/183133870.db2.gz FXNCDQCRASUMQV-HUUCEWRRSA-N 0 0 312.394 3.006 1 0 DGAFRN CN1CCO[C@@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000040956620 183151664 /nfs/dbraw/zinc/15/16/64/183151664.db2.gz DVIGLLVDYXKLEU-QGZVFWFLSA-N 0 0 303.789 3.114 1 0 DGAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2cc[nH]c(=O)c2c1 ZINC000040973899 183153326 /nfs/dbraw/zinc/15/33/26/183153326.db2.gz JZPJXHAIVRFFPE-UHFFFAOYSA-N 0 0 318.376 3.396 1 0 DGAFRN C[C@@H]1CNc2c3cc(OCC4CC4)ccc3sc2C(=O)N1 ZINC000043020377 183328779 /nfs/dbraw/zinc/32/87/79/183328779.db2.gz UNTOEJWOGZGOAO-SECBINFHSA-N 0 0 302.399 3.234 1 0 DGAFRN Cc1cc(C)n2ncc(C(=O)Nc3ccc(F)cc3F)c2n1 ZINC000104686082 194026235 /nfs/dbraw/zinc/02/62/35/194026235.db2.gz KCXGXZZNLYRATG-UHFFFAOYSA-N 0 0 302.284 3.214 1 0 DGAFRN CC[C@H](C)NC(=O)c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000058052364 184071701 /nfs/dbraw/zinc/07/17/01/184071701.db2.gz FKDIYKUXCOQTHU-LAJNKCICSA-N 0 0 305.399 3.116 1 0 DGAFRN Cc1cc(C)nc([N-]c2nc([C@H]([NH3+])c3ccccc3)cs2)n1 ZINC000061902791 184193499 /nfs/dbraw/zinc/19/34/99/184193499.db2.gz KOLILRDHMUTGSW-CQSZACIVSA-N 0 0 311.414 3.342 3 0 DGAFRN COc1cccc(-c2c[nH]c([C@H](O)c3ccc(F)c(F)c3)n2)c1 ZINC000061929624 184196216 /nfs/dbraw/zinc/19/62/16/184196216.db2.gz APQFXZWKBVYLTO-MRXNPFEDSA-N 0 0 316.307 3.445 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccc2ccccc2c1 ZINC000061896247 184193084 /nfs/dbraw/zinc/19/30/84/184193084.db2.gz NEJWFKWKJITHNA-LJQANCHMSA-N 0 0 311.381 3.398 3 0 DGAFRN O=C(NC1CCCCC1)N1OC[C@@H]2COc3ccccc3[C@H]21 ZINC000062225449 184224189 /nfs/dbraw/zinc/22/41/89/184224189.db2.gz IYUBLQIEZBXVPP-LRDDRELGSA-N 0 0 302.374 3.026 1 0 DGAFRN CC(=O)Oc1ccc(C)cc1C(=O)Nc1ncc(Cl)s1 ZINC000064485520 184298242 /nfs/dbraw/zinc/29/82/42/184298242.db2.gz RBVWNVOOSWEDIN-UHFFFAOYSA-N 0 0 310.762 3.283 1 0 DGAFRN COc1ccc(Cn2ncc3c2ncnc3-c2ccco2)cc1 ZINC000064491883 184298865 /nfs/dbraw/zinc/29/88/65/184298865.db2.gz SCNPUDCZXNUNQZ-UHFFFAOYSA-N 0 0 306.325 3.143 1 0 DGAFRN OCc1c(CO)c(-c2ccccc2)n2c1Cc1ccccc1C2 ZINC000066099839 184389079 /nfs/dbraw/zinc/38/90/79/184389079.db2.gz LQBINFWKLVVRJR-UHFFFAOYSA-N 0 0 305.377 3.092 1 0 DGAFRN CCOc1ccc(C)cc1-c1cc2nc(N)nc(N)c2cc1C ZINC000072114524 184930984 /nfs/dbraw/zinc/93/09/84/184930984.db2.gz JBQLSAAGUSPRCE-UHFFFAOYSA-N 0 0 308.385 3.477 1 0 DGAFRN C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(O)cc2)N[C@H]1c1ccc(O)cc1 ZINC000015919730 290316744 /nfs/dbraw/zinc/31/67/44/290316744.db2.gz NFDDAJSPVPMMDU-RHMWETHNSA-N 0 0 311.381 3.325 1 0 DGAFRN COc1cc(C)c2cc3c(cc2c1)[C@H](C(C)=O)[C@](C)(O)CC3=O ZINC000095485951 560061993 /nfs/dbraw/zinc/06/19/93/560061993.db2.gz USKZOZPNRYMQLM-RBUKOAKNSA-N 0 0 312.365 3.167 1 0 biogenic,in-vitro DGAFRN C[C@]12C=C[C@@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)C(=O)C[C@@]1(C)[C@@H]3CC2=O ZINC000100778035 571826519 /nfs/dbraw/zinc/82/65/19/571826519.db2.gz KVDLINJXYLXARR-LYSHTCLHSA-N 0 0 316.441 3.304 1 0 endogenous,in-man DGAFRN COc1ccc(/C=C/C(=O)N[C@@H]2CCc3ccccc32)cc1O ZINC000118475190 1199932044 /nfs/dbraw/zinc/93/20/44/1199932044.db2.gz PPVRRXUNDWOBFH-AYAUWGRQSA-N 0 0 309.365 3.218 1 0 DGAFRN Cc1[nH]nc(C(N)=O)c1Cc1cccc(-c2ccc(F)cc2)c1 ZINC000095555205 185379818 /nfs/dbraw/zinc/37/98/18/185379818.db2.gz SWMKQDFCXJVNEO-UHFFFAOYSA-N 0 0 309.344 3.214 1 0 DGAFRN FC(F)(F)CN1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 ZINC000095575347 185380378 /nfs/dbraw/zinc/38/03/78/185380378.db2.gz FOKOEDIQNRPGOY-UHFFFAOYSA-N 0 0 323.322 3.112 1 0 DGAFRN CCc1cc(OC)c(Oc2ccc(C(N)=O)cc2F)cc1F ZINC000095572269 185380540 /nfs/dbraw/zinc/38/05/40/185380540.db2.gz NMOMJIWTBFJNOM-UHFFFAOYSA-N 0 0 307.296 3.427 1 0 DGAFRN c1cnc2c(n1)sc1c2ncnc1Nc1ccc2c(c1)OCO2 ZINC000095572488 185380595 /nfs/dbraw/zinc/38/05/95/185380595.db2.gz SQZNHNXQJJQZRX-UHFFFAOYSA-N 0 0 323.337 3.107 1 0 DGAFRN CC(C)n1nc(Cc2cc(F)cc(Cl)c2)c2c1ncnc2N ZINC000095581128 185381403 /nfs/dbraw/zinc/38/14/03/185381403.db2.gz QVPJXVXUVJSLJK-UHFFFAOYSA-N 0 0 319.771 3.373 1 0 DGAFRN Cc1cc(=O)[nH]nc1-c1ccc(-n2cnc3c2CCCC3)cc1 ZINC000096901299 185390406 /nfs/dbraw/zinc/39/04/06/185390406.db2.gz IFJVVAFTHNCILR-UHFFFAOYSA-N 0 0 306.369 3.222 1 0 DGAFRN CCOC(=O)CCN[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910581 185391109 /nfs/dbraw/zinc/39/11/09/185391109.db2.gz OSYLIDUZSLQOIW-QGZVFWFLSA-N 0 0 323.820 3.221 1 0 DGAFRN O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)c1cnco1 ZINC000096914403 185391338 /nfs/dbraw/zinc/39/13/38/185391338.db2.gz XHGJEQSKPFGDGW-UHFFFAOYSA-N 0 0 324.271 3.269 1 0 DGAFRN Cc1cc(=O)c(C(C)C)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000012352326 190636469 /nfs/dbraw/zinc/63/64/69/190636469.db2.gz SILQRUMBIKNHPN-UHFFFAOYSA-N 0 0 306.383 3.142 1 0 DGAFRN COc1ccc(-c2cc3c(ncnc3NC(=O)C3CC3)o2)cc1 ZINC000014946132 190640059 /nfs/dbraw/zinc/64/00/59/190640059.db2.gz FINKDXASIMBDNU-UHFFFAOYSA-N 0 0 309.325 3.247 1 0 DGAFRN CC(=O)N(Cc1ccccc1)C1=N[C@@]2(CCCCO2)CCS1 ZINC000169319650 197740660 /nfs/dbraw/zinc/74/06/60/197740660.db2.gz RWAVCJFIBXMGPI-QGZVFWFLSA-N 0 0 318.442 3.425 1 0 DGAFRN O=C1/C(=C/c2ccc(Br)cc2)N=C2SCCCN12 ZINC000169324371 197741802 /nfs/dbraw/zinc/74/18/02/197741802.db2.gz CDHVKCLNVBLBCF-FLIBITNWSA-N 0 0 323.215 3.125 1 0 DGAFRN O=C(c1ccn(-c2ccc3c(c2)[C@H](O)OC3)c1)c1ccccc1 ZINC000169333560 197742906 /nfs/dbraw/zinc/74/29/06/197742906.db2.gz IHNRFSMKZAZXFB-LJQANCHMSA-N 0 0 305.333 3.229 1 0 DGAFRN O=c1[nH]c(-c2c(O)cccc2Br)nc2ccccc12 ZINC000169353963 197745372 /nfs/dbraw/zinc/74/53/72/197745372.db2.gz LHMMDOKMWWYKEI-UHFFFAOYSA-N 0 0 317.142 3.058 1 0 DGAFRN COC(=O)[C@@H](OC)c1cccc(COc2ccc(C)cc2)c1 ZINC000103198431 185438141 /nfs/dbraw/zinc/43/81/41/185438141.db2.gz KZFFLELJMKLGFO-KRWDZBQOSA-N 0 0 300.354 3.435 1 0 DGAFRN O=C(C1CC1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000071341053 190961738 /nfs/dbraw/zinc/96/17/38/190961738.db2.gz ZGKJHOFNMZJGCV-CQSZACIVSA-N 0 0 315.348 3.339 1 0 DGAFRN Cn1cc(-c2cc3c(s2)C2(CCCCC2)CNC3=O)cn1 ZINC000084617936 192446239 /nfs/dbraw/zinc/44/62/39/192446239.db2.gz PLHUMZIZHJTLEU-UHFFFAOYSA-N 0 0 301.415 3.094 1 0 DGAFRN CC[C@@H](C)CN1C(=O)N[C@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000072141031 191049365 /nfs/dbraw/zinc/04/93/65/191049365.db2.gz GPCDYXOQEGLDGD-MLGOLLRUSA-N 0 0 316.401 3.246 1 0 DGAFRN CN1CCN(Cc2coc(-c3cccc4ccccc43)n2)CC1 ZINC000072180120 191071921 /nfs/dbraw/zinc/07/19/21/191071921.db2.gz DUGLZXXMYWSISY-UHFFFAOYSA-N 0 0 307.397 3.242 1 0 DGAFRN COc1cccc(NC(=O)c2cnc3[nH]c(C(C)=O)cc3c2)c1 ZINC000072323894 191121570 /nfs/dbraw/zinc/12/15/70/191121570.db2.gz JGXLEEAMZYIXPJ-UHFFFAOYSA-N 0 0 309.325 3.026 2 0 DGAFRN CC(C)CNC(=O)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323251 191122007 /nfs/dbraw/zinc/12/20/07/191122007.db2.gz BBTHCFVFSWUQCW-UHFFFAOYSA-N 0 0 307.397 3.470 2 0 DGAFRN [NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)c(OCc2ccccc2)c1 ZINC000073165663 191288324 /nfs/dbraw/zinc/28/83/24/191288324.db2.gz MLNRRNATDAHIFD-AWEZNQCLSA-N 0 0 319.788 3.436 1 0 DGAFRN Cc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1 ZINC000003815001 181046912 /nfs/dbraw/zinc/04/69/12/181046912.db2.gz HDHAIYFBPPDPIX-UHFFFAOYSA-N 0 0 311.414 3.098 1 0 DGAFRN N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1 ZINC000003896061 181053597 /nfs/dbraw/zinc/05/35/97/181053597.db2.gz ILPJANFJJUOYLT-UHFFFAOYSA-N 0 0 312.756 3.496 1 0 DGAFRN Cn1c(C(=O)NCc2cccnc2)cc2sc(Cl)cc21 ZINC000003957626 181059675 /nfs/dbraw/zinc/05/96/75/181059675.db2.gz KWYCUQBVCFWVJE-UHFFFAOYSA-N 0 0 305.790 3.218 3 0 DGAFRN Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1 ZINC000004251612 181088861 /nfs/dbraw/zinc/08/88/61/181088861.db2.gz ULZAHKIGPBRFSA-UHFFFAOYSA-N 0 0 308.381 3.222 3 0 DGAFRN O=C1c2ccccc2[C@H](Nc2cccnc2)N1c1cccnc1 ZINC000004917982 181172916 /nfs/dbraw/zinc/17/29/16/181172916.db2.gz ZBWNWPPYMJOLPH-QGZVFWFLSA-N 0 0 302.337 3.248 1 0 DGAFRN COCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938172 181175577 /nfs/dbraw/zinc/17/55/77/181175577.db2.gz OCZAZMCEFIEAAM-UHFFFAOYSA-N 0 0 320.801 3.479 1 0 DGAFRN C[C@H]1CCc2nn(CC(=O)Nc3ccccc3Cl)cc2C1 ZINC000005148181 181209235 /nfs/dbraw/zinc/20/92/35/181209235.db2.gz LLVXIUMNRJDUBM-NSHDSACASA-N 0 0 303.793 3.300 1 0 DGAFRN COc1cccc(-c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)c1 ZINC000005503288 181250355 /nfs/dbraw/zinc/25/03/55/181250355.db2.gz AZKCYXFUWAIBGV-UHFFFAOYSA-N 0 0 311.337 3.221 1 0 DGAFRN Cn1c2ccccc2c2c1[C@]13C[C@H]4CCC[C@@]4(S1)C(=O)N3CC2 ZINC000005582909 181260348 /nfs/dbraw/zinc/26/03/48/181260348.db2.gz XMKZSJNAJUEYTO-HQOQDVMHSA-N 0 0 324.449 3.405 1 0 DGAFRN CC(C)(C)C(=O)OC[C@@H]1C=C(c2cccc(Cl)c2)C(=O)O1 ZINC000005884988 181292794 /nfs/dbraw/zinc/29/27/94/181292794.db2.gz BXQBRFNGZBVICQ-LBPRGKRZSA-N 0 0 308.761 3.238 1 0 DGAFRN CN1N=C(c2ccncc2)O[C@H]1c1cccc(C(F)(F)F)c1 ZINC000006002742 181304902 /nfs/dbraw/zinc/30/49/02/181304902.db2.gz ZHNGVQVGFZPSCO-AWEZNQCLSA-N 0 0 307.275 3.423 1 0 DGAFRN C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12 ZINC000006482546 181344475 /nfs/dbraw/zinc/34/44/75/181344475.db2.gz FOMMZXSAOZSXPW-MCIQLKMHSA-N 0 0 303.446 3.179 1 0 DGAFRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccn1C ZINC000006576768 181356126 /nfs/dbraw/zinc/35/61/26/181356126.db2.gz MDNDDGAMPQNOTB-LZWOXQAQSA-N 0 0 321.417 3.186 1 0 DGAFRN FC(F)(F)c1nc(NC[C@@H]2CCCO2)nc2c1CCCCC2 ZINC000006814466 181394232 /nfs/dbraw/zinc/39/42/32/181394232.db2.gz SAAQQOPUFLDPKF-JTQLQIEISA-N 0 0 315.339 3.355 1 0 DGAFRN Cc1ccc(CNc2nc3ccc(Cl)cc3n3nnnc23)cc1 ZINC000006823209 181395434 /nfs/dbraw/zinc/39/54/34/181395434.db2.gz CHACTVBMFASMAN-UHFFFAOYSA-N 0 0 324.775 3.246 1 0 DGAFRN COc1cc2[nH]c(-c3ccncc3)cc(=O)c2cc1-c1cnco1 ZINC000013487578 181855014 /nfs/dbraw/zinc/85/50/14/181855014.db2.gz OXVBUKPXBQSJJZ-UHFFFAOYSA-N 0 0 319.320 3.254 1 0 DGAFRN COC(=O)c1cc(N)cc(-c2cc(=O)c3cc(C)ccc3o2)c1 ZINC000013491212 181855961 /nfs/dbraw/zinc/85/59/61/181855961.db2.gz ZFALLMMCLNRTEY-UHFFFAOYSA-N 0 0 309.321 3.137 1 0 DGAFRN COc1ccc2c(c1)c(CCNC(C)=O)c1n2Cc2ccccc2-1 ZINC000013494150 181856938 /nfs/dbraw/zinc/85/69/38/181856938.db2.gz SNPPPSAUVCVWEJ-UHFFFAOYSA-N 0 0 320.392 3.357 1 0 DGAFRN COc1cc2c(cc1O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000014650785 181963206 /nfs/dbraw/zinc/96/32/06/181963206.db2.gz SMTIGAXALFVTMH-UHFFFAOYSA-N 0 0 316.353 3.192 1 0 DGAFRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000017326318 182083499 /nfs/dbraw/zinc/08/34/99/182083499.db2.gz SCKVBFYHMGNGQY-KOCRSYKGSA-N 0 0 320.429 3.476 1 0 DGAFRN COc1ccc(-c2noc(N3CCCCCC3)n2)cc1OC ZINC000021529619 182279335 /nfs/dbraw/zinc/27/93/35/182279335.db2.gz DCCJDEKWLCRMLV-UHFFFAOYSA-N 0 0 303.362 3.134 1 0 DGAFRN CN(C)c1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21 ZINC000025972613 182426818 /nfs/dbraw/zinc/42/68/18/182426818.db2.gz FQCINMURYBKZPG-UHFFFAOYSA-N 0 0 313.748 3.257 1 0 DGAFRN Cc1c2c(c(C=O)n1-c1ccccc1)C(C)(C)C[C@]2(C)C(N)=O ZINC000028019069 182505562 /nfs/dbraw/zinc/50/55/62/182505562.db2.gz CEUQWJWPNGUBLU-IBGZPJMESA-N 0 0 310.397 3.023 1 0 DGAFRN COC[C@H]1C[C@]2(C)[C@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000036377046 182819732 /nfs/dbraw/zinc/81/97/32/182819732.db2.gz LEOPSILMAOYZBO-JPIJUCBSSA-N 0 0 316.441 3.482 1 0 DGAFRN Cn1c2ccsc2c2ncn(Cc3ccccc3F)c(=O)c21 ZINC000036380667 182820663 /nfs/dbraw/zinc/82/06/63/182820663.db2.gz MRDGOOFOWRUSLV-UHFFFAOYSA-N 0 0 313.357 3.137 3 0 DGAFRN O=c1c(-c2ccccc2)nnc2n1CCN2c1ccc(Cl)cc1 ZINC000038691883 183006167 /nfs/dbraw/zinc/00/61/67/183006167.db2.gz SVBCKEKNHJSBNS-UHFFFAOYSA-N 0 0 324.771 3.110 1 0 DGAFRN CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(F)c(F)c1 ZINC000038841156 183011719 /nfs/dbraw/zinc/01/17/19/183011719.db2.gz MVZIXWFOMRLWSI-LBPRGKRZSA-N 0 0 310.344 3.084 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)CCN(CCc1ccncc1)C3 ZINC000040465040 183071421 /nfs/dbraw/zinc/07/14/21/183071421.db2.gz QEVPMCAFPZXNKV-UHFFFAOYSA-N 0 0 307.397 3.172 1 0 DGAFRN c1ccc2c(c1)OC1(CCOCC1)N1N=C(c3ccncc3)C[C@H]21 ZINC000040762665 183130433 /nfs/dbraw/zinc/13/04/33/183130433.db2.gz BALNQJFYGMDNGN-QGZVFWFLSA-N 0 0 321.380 3.132 1 0 DGAFRN CSc1nc(-c2cccc3ccccc32)nn1C(=O)N(C)C ZINC000040972615 183153547 /nfs/dbraw/zinc/15/35/47/183153547.db2.gz RNJMNSLSYTYWRQ-UHFFFAOYSA-N 0 0 312.398 3.350 1 0 DGAFRN CCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC ZINC000040977174 183154284 /nfs/dbraw/zinc/15/42/84/183154284.db2.gz GNXVOAVSOLSRGY-UHFFFAOYSA-N 0 0 302.378 3.128 1 0 DGAFRN COc1ccc(-c2ccc3cccc4c3c2C(=O)[C@H](O)[C@@H]4O)cc1 ZINC000102068567 193860015 /nfs/dbraw/zinc/86/00/15/193860015.db2.gz MIVCUDFEBOYZEM-UYAOXDASSA-N 0 0 320.344 3.106 1 0 DGAFRN CCN(C)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000040867028 183144615 /nfs/dbraw/zinc/14/46/15/183144615.db2.gz GKTBQJJERJRNRG-UHFFFAOYSA-N 0 0 306.365 3.496 1 0 DGAFRN CNc1nc2[nH]c(-c3cccc(OC)c3)cc2c2c1ncn2C ZINC000043021102 183329823 /nfs/dbraw/zinc/32/98/23/183329823.db2.gz GARGJFCAYIKMFS-UHFFFAOYSA-N 0 0 307.357 3.167 1 0 DGAFRN CS(=O)(=O)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000043120793 183339178 /nfs/dbraw/zinc/33/91/78/183339178.db2.gz KPAXEIADRYFYTN-OCCSQVGLSA-N 0 0 312.822 3.203 1 0 DGAFRN O=c1c(CSC(=S)N2CCCC2)coc2ccccc21 ZINC000043073043 183334434 /nfs/dbraw/zinc/33/44/34/183334434.db2.gz VWRFMTKEWYXBKX-UHFFFAOYSA-N 0 0 305.424 3.407 1 0 DGAFRN COc1ccc(-c2c3nc4ccccc4c-3[n-][nH+]c2N)cc1OC ZINC000102329555 193874902 /nfs/dbraw/zinc/87/49/02/193874902.db2.gz GEWGDSQAEKCDCS-UHFFFAOYSA-N 0 0 320.352 3.329 1 0 DGAFRN NC(=O)c1cccc2[nH]c(-c3ccc(-c4cscn4)cc3)nc21 ZINC000045285242 183494266 /nfs/dbraw/zinc/49/42/66/183494266.db2.gz ANHUSSWFZUAVMM-UHFFFAOYSA-N 0 0 320.377 3.452 1 0 DGAFRN COc1ccccc1[C@@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 ZINC000058592302 184123984 /nfs/dbraw/zinc/12/39/84/184123984.db2.gz FBBGOAHRHCYAPA-AWEZNQCLSA-N 0 0 314.337 3.430 1 0 DGAFRN CNc1ccc2c(cc1=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000059199142 184136081 /nfs/dbraw/zinc/13/60/81/184136081.db2.gz ZOEOHAILNDRJRU-ZGMAETJZSA-N 0 0 313.441 3.306 1 0 DGAFRN CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1ccc2scnc2c1 ZINC000061902637 184193568 /nfs/dbraw/zinc/19/35/68/184193568.db2.gz AXKWOYFTISKMEO-INIZCTEOSA-N 0 0 317.414 3.026 3 0 DGAFRN CC(C)NC(=O)[C@@]1(C)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000061897113 184193793 /nfs/dbraw/zinc/19/37/93/184193793.db2.gz YXIQYOCLFFBDEI-OAHLLOKOSA-N 0 0 314.351 3.194 3 0 DGAFRN CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccc(OC)cc1 ZINC000061904119 184194052 /nfs/dbraw/zinc/19/40/52/184194052.db2.gz FADNWQMGTSLSEM-SFHVURJKSA-N 0 0 319.401 3.033 3 0 DGAFRN Cc1ccc(C)c(NC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)c1 ZINC000061904491 184194168 /nfs/dbraw/zinc/19/41/68/184194168.db2.gz YFTZIIYOLYZLGK-GOSISDBHSA-N 0 0 302.418 3.279 3 0 DGAFRN CC(=O)N[C@H](c1nc(-c2cccnc2)cs1)c1ccccc1 ZINC000061905659 184194176 /nfs/dbraw/zinc/19/41/76/184194176.db2.gz FIACRMVBURLDIZ-INIZCTEOSA-N 0 0 309.394 3.431 3 0 DGAFRN CNc1nc2ccsc2c(Oc2cccc(NC(C)=O)c2)n1 ZINC000061925863 184195849 /nfs/dbraw/zinc/19/58/49/184195849.db2.gz LRRZKVGDZNNBJH-UHFFFAOYSA-N 0 0 314.370 3.484 3 0 DGAFRN CC(C)Oc1cccc(NC(=O)[C@]2(C)CCN2C(=O)C(C)C)c1 ZINC000061926699 184196148 /nfs/dbraw/zinc/19/61/48/184196148.db2.gz COKWNVWDAKZXBK-SFHVURJKSA-N 0 0 318.417 3.059 3 0 DGAFRN CC(=O)OC[C@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 ZINC000064573377 184299938 /nfs/dbraw/zinc/29/99/38/184299938.db2.gz SFYSFBCDZMKKQT-SECBINFHSA-N 0 0 315.152 3.113 1 0 DGAFRN Cc1nc2oc([C@@H](C)OC(=O)Nc3ccccc3)c(C)n2n1 ZINC000066258827 184399325 /nfs/dbraw/zinc/39/93/25/184399325.db2.gz YOOLNDVTUWWSFB-SNVBAGLBSA-N 0 0 300.318 3.249 1 0 DGAFRN COc1cc([C@H]2CCOc3cc(OC)c(O)cc32)ccc1O ZINC000072110001 184931217 /nfs/dbraw/zinc/93/12/17/184931217.db2.gz JPDDZHNDOWJDCD-LLVKDONJSA-N 0 0 302.326 3.029 1 0 DGAFRN COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1 ZINC000000427409 286324017 /nfs/dbraw/zinc/32/40/17/286324017.db2.gz RJFUZJVGKOALAH-CRAIPNDOSA-N 0 0 310.353 3.465 1 0 DGAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1OC ZINC000013644723 431565024 /nfs/dbraw/zinc/56/50/24/431565024.db2.gz OSGFQUPLDZBTPO-UHFFFAOYSA-N 0 0 324.380 3.231 1 0 DGAFRN O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCc2ccccc2C1 ZINC000028887182 431711832 /nfs/dbraw/zinc/71/18/32/431711832.db2.gz WJEOVZCPVSJPQG-QGZVFWFLSA-N 0 0 304.393 3.384 1 0 DGAFRN CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3C[C@@H]4CC[C@@]3(CC[C@H]12)C[C@@]4(O)CO ZINC000040865615 431857924 /nfs/dbraw/zinc/85/79/24/431857924.db2.gz MGZCTUDLVVCKCA-LDEAWATRSA-N 0 0 322.489 3.113 1 0 biogenic,in-vitro DGAFRN COc1cc(O)c2c(c1)O[C@@H](c1ccccc1OC)CC2=O ZINC000095912026 560057625 /nfs/dbraw/zinc/05/76/25/560057625.db2.gz PVGRYICVBXLJGB-OAHLLOKOSA-N 0 0 300.310 3.116 1 0 biogenic,in-vitro DGAFRN COc1cc2c(c(OC)c1C(=O)C[C@@H](C)OC)C=CC(C)(C)O2 ZINC000014444697 560221604 /nfs/dbraw/zinc/22/16/04/560221604.db2.gz DPGWUIJYAVUNMD-LLVKDONJSA-N 0 0 320.385 3.496 1 0 in-vitro DGAFRN COc1cc2c(cc1CCCc1ccc(O)cc1O)OCO2 ZINC000015113791 560228384 /nfs/dbraw/zinc/22/83/84/560228384.db2.gz USLUDJXONKCWOO-UHFFFAOYSA-N 0 0 302.326 3.010 1 0 biogenic,in-vitro DGAFRN Nc1nc2c(ccn2Cc2ccccc2F)c(-c2ccco2)n1 ZINC000000003634 581093511 /nfs/dbraw/zinc/09/35/11/581093511.db2.gz HFFBFYRTHLQYHB-UHFFFAOYSA-N 0 0 308.316 3.461 1 0 DGAFRN COc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1 ZINC000000026944 581095639 /nfs/dbraw/zinc/09/56/39/581095639.db2.gz ZBCIUJVPXUPSFS-UHFFFAOYSA-N 0 0 302.337 3.467 1 0 DGAFRN COC(=O)Cc1ccccc1OC(=O)c1ccc(Cl)cc1 ZINC000045497216 658983370 /nfs/dbraw/zinc/98/33/70/658983370.db2.gz GAHMORGJRXSGFG-UHFFFAOYSA-N 0 0 304.729 3.275 1 0 DGAFRN Cc1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1O ZINC000095554205 185379073 /nfs/dbraw/zinc/37/90/73/185379073.db2.gz XRKDVCIZTVTFSK-UHFFFAOYSA-N 0 0 300.339 3.268 1 0 DGAFRN CC1(C)CCC[C@]2(C)[C@H]3CC=C(CCO)[C@@H](O)[C@@]3(C)C(=O)C[C@@H]12 ZINC000095589492 185382037 /nfs/dbraw/zinc/38/20/37/185382037.db2.gz KTDOLCHRZYHEBZ-DQIJQRSUSA-N 0 0 320.473 3.488 1 0 DGAFRN COC(=O)c1ccc(Cl)nc1N(C)c1ccc(OC)cc1 ZINC000095598212 185382337 /nfs/dbraw/zinc/38/23/37/185382337.db2.gz VBTIAJMPTNAIFQ-UHFFFAOYSA-N 0 0 306.749 3.298 1 0 DGAFRN Cc1ccc(-n2nnnc2-c2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000096910487 185390891 /nfs/dbraw/zinc/39/08/91/185390891.db2.gz GNYNUCVKLKHJBQ-UHFFFAOYSA-N 0 0 316.368 3.336 1 0 DGAFRN COc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1N ZINC000096914914 185391116 /nfs/dbraw/zinc/39/11/16/185391116.db2.gz HKGFOPRPIQQGQF-UHFFFAOYSA-N 0 0 321.398 3.454 1 0 DGAFRN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cnco1 ZINC000096914417 185391327 /nfs/dbraw/zinc/39/13/27/185391327.db2.gz IFCLKRLZBRRZRP-UHFFFAOYSA-N 0 0 306.281 3.130 1 0 DGAFRN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2oc(N)nc2c1 ZINC000096934813 185392773 /nfs/dbraw/zinc/39/27/73/185392773.db2.gz BKEXSGHGVGZNOV-INIZCTEOSA-N 0 0 320.352 3.108 1 0 DGAFRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cnn(C)c2)cc1 ZINC000103170059 185436503 /nfs/dbraw/zinc/43/65/03/185436503.db2.gz LTRCULHPAMDYMD-NSHDSACASA-N 0 0 316.430 3.060 1 0 DGAFRN CC1=NC(=S)N[C@H](c2ccccc2)C1C(=O)Oc1ccccc1 ZINC000103193456 185437546 /nfs/dbraw/zinc/43/75/46/185437546.db2.gz XYZPAYNCZDBDSR-MRXNPFEDSA-N 0 0 324.405 3.085 1 0 DGAFRN Cc1ccc2nc(COc3ccc(Cl)cc3)n(C)c(=O)c2c1 ZINC000103198992 185437934 /nfs/dbraw/zinc/43/79/34/185437934.db2.gz JCYWPRGSRSDTCH-UHFFFAOYSA-N 0 0 314.772 3.474 1 0 DGAFRN CO[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 ZINC000103216669 185438719 /nfs/dbraw/zinc/43/87/19/185438719.db2.gz DFGNDLADEPXSNS-INIZCTEOSA-N 0 0 322.393 3.276 1 0 DGAFRN Cc1cccc([C@@H](O)[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000103284511 185444230 /nfs/dbraw/zinc/44/42/30/185444230.db2.gz GVZAOICDJQLZBV-RTBURBONSA-N 0 0 309.409 3.467 1 0 DGAFRN C[C@@H]1NS(=O)(=O)c2cccc(Cl)c2O[C@H]1c1ccccc1 ZINC000072138363 191047677 /nfs/dbraw/zinc/04/76/77/191047677.db2.gz GNYOHGJCLCXVGL-IINYFYTJSA-N 0 0 323.801 3.141 1 0 DGAFRN C[C@H]1NS(=O)(=O)c2cccc(Cl)c2O[C@H]1c1ccccc1 ZINC000072138362 191047923 /nfs/dbraw/zinc/04/79/23/191047923.db2.gz GNYOHGJCLCXVGL-QMTHXVAHSA-N 0 0 323.801 3.141 1 0 DGAFRN c1ccc(-c2nnc3n2N=C2c4ccccc4C[C@@H]2S3)cc1 ZINC000072118226 191038593 /nfs/dbraw/zinc/03/85/93/191038593.db2.gz BJDUWWGQZXRYQP-AWEZNQCLSA-N 0 0 304.378 3.228 1 0 DGAFRN CC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 ZINC000072136045 191046190 /nfs/dbraw/zinc/04/61/90/191046190.db2.gz ICUPNNXGYLNISZ-GXFFZTMASA-N 0 0 306.362 3.012 3 0 DGAFRN C/C=C/OC(=O)N[C@H](c1ccccc1)[C@@]1(C(C)=O)CCCC1=O ZINC000072137718 191048648 /nfs/dbraw/zinc/04/86/48/191048648.db2.gz ZUERLKAKQMUYDU-KUCRVXBHSA-N 0 0 315.369 3.316 1 0 DGAFRN CCN(CC)C(=O)COC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000072179601 191071721 /nfs/dbraw/zinc/07/17/21/191071721.db2.gz YPVCEGMQTPHQBE-HNNXBMFYSA-N 0 0 319.445 3.400 1 0 DGAFRN COC[C@H](C)NC(=O)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323635 191121788 /nfs/dbraw/zinc/12/17/88/191121788.db2.gz IYSBSWZXVJMONQ-ZDUSSCGKSA-N 0 0 315.417 3.306 2 0 DGAFRN COCCCNC(=O)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323633 191122079 /nfs/dbraw/zinc/12/20/79/191122079.db2.gz SXKKROXMBWEJLO-UHFFFAOYSA-N 0 0 315.417 3.308 2 0 DGAFRN CC1(C)CC[C@@H](O)[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12 ZINC000095919163 290914803 /nfs/dbraw/zinc/91/48/03/290914803.db2.gz IRTHRPTXPXLENP-QMBFBYQJSA-N 0 0 322.489 3.113 1 0 biogenic,in-vitro DGAFRN O=c1oc(-c2ccccc2)nn1SC(Cl)(Cl)Cl ZINC000000001208 180667240 /nfs/dbraw/zinc/66/72/40/180667240.db2.gz AGNRWZQXNQBVQZ-UHFFFAOYSA-N 0 0 311.577 3.327 1 0 in-man DGAFRN Cc1cc2nc(Cc3ccc(F)c(F)c3)c(=O)[nH]c2cc1C ZINC000000107904 180695709 /nfs/dbraw/zinc/69/57/09/180695709.db2.gz AAIFURFBMOGRFT-UHFFFAOYSA-N 0 0 300.308 3.409 1 0 DGAFRN Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000002722193 180949408 /nfs/dbraw/zinc/94/94/08/180949408.db2.gz CSWOTBQXBLETIE-UHFFFAOYSA-N 0 0 303.358 3.291 3 0 DGAFRN COc1ccccc1CNC(=O)c1cc2c(s1)CSC2 ZINC000003030604 180977816 /nfs/dbraw/zinc/97/78/16/180977816.db2.gz BSYXGPNLQPMWLQ-UHFFFAOYSA-N 0 0 305.424 3.434 1 0 DGAFRN Cc1cccc2oc(C(F)(F)Sc3nccc(N)n3)nc21 ZINC000073195841 191290325 /nfs/dbraw/zinc/29/03/25/191290325.db2.gz ZHBVUZLOLGHVGR-UHFFFAOYSA-N 0 0 308.313 3.350 1 0 DGAFRN COCCNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000004258562 181089322 /nfs/dbraw/zinc/08/93/22/181089322.db2.gz CGDIWFVZRLJVCB-UHFFFAOYSA-N 0 0 322.412 3.421 1 0 DGAFRN c1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000004267212 181089934 /nfs/dbraw/zinc/08/99/34/181089934.db2.gz HRDICTNVOLCIEV-UHFFFAOYSA-N 0 0 305.337 3.484 1 0 DGAFRN NC(=O)c1c2c(sc1NC(=O)[C@@H]1C[C@H]3CC[C@@H]1C3)CCCC2 ZINC000004574408 181125843 /nfs/dbraw/zinc/12/58/43/181125843.db2.gz DEBFNTZQMPOMKQ-HOSYDEDBSA-N 0 0 318.442 3.101 1 0 DGAFRN C[S@](=O)c1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1 ZINC000004626789 181130982 /nfs/dbraw/zinc/13/09/82/181130982.db2.gz KSEJZTWORQXILM-HSZRJFAPSA-N 0 0 323.421 3.296 1 0 investigational DGAFRN CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000005003929 181189155 /nfs/dbraw/zinc/18/91/55/181189155.db2.gz KXOMANMOHHTIPS-GHRIWEEISA-N 0 0 309.365 3.409 3 0 DGAFRN CCCN1Cc2cccc(C(=O)NCCc3ccccc3)c2C1=O ZINC000005005836 181188831 /nfs/dbraw/zinc/18/88/31/181188831.db2.gz OUHAIDHHQGUXBT-UHFFFAOYSA-N 0 0 322.408 3.025 3 0 DGAFRN O=C(Cn1cc2c(n1)CCCCC2)N[C@@H]1CCCc2ccccc21 ZINC000005148758 181209226 /nfs/dbraw/zinc/20/92/26/181209226.db2.gz XWEHJCCUMKSCOA-LJQANCHMSA-N 0 0 323.440 3.346 1 0 DGAFRN CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(C)cc(C)c1 ZINC000005885949 181292923 /nfs/dbraw/zinc/29/29/23/181292923.db2.gz IJQCYLWHJXNYTD-UHFFFAOYSA-N 0 0 312.413 3.160 1 0 DGAFRN CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccc(OC)c(C)c1 ZINC000005886275 181293132 /nfs/dbraw/zinc/29/31/32/181293132.db2.gz ZYJDIMSCMZHSES-UHFFFAOYSA-N 0 0 314.429 3.220 1 0 DGAFRN COc1c(C)c(O)c(C=O)c2c1[C@@H](O)C[C@@H](c1ccccc1)O2 ZINC000006068790 181310662 /nfs/dbraw/zinc/31/06/62/181310662.db2.gz DAAVAQORZATFQC-KBPBESRZSA-N 0 0 314.337 3.079 1 0 DGAFRN CC(=O)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000006186652 181318441 /nfs/dbraw/zinc/31/84/41/181318441.db2.gz IPNPTGIAHMNWGI-UHFFFAOYSA-N 0 0 316.748 3.464 1 0 DGAFRN CCCN1C(=O)c2ccccc2[C@@]1(O)c1ccc(Cl)cc1 ZINC000006399522 181337636 /nfs/dbraw/zinc/33/76/36/181337636.db2.gz MIDWSIDODUTCGG-KRWDZBQOSA-N 0 0 301.773 3.399 1 0 DGAFRN Cc1cc(C)c2c(c1)CO[C@H]([C@@H](O)CO)[C@@H]2/C=C/c1ccccc1 ZINC000195392355 201387397 /nfs/dbraw/zinc/38/73/97/201387397.db2.gz FHRXQABKTKQZJZ-PPERURLDSA-N 0 0 324.420 3.352 1 0 DGAFRN NC(=S)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1 ZINC000006575777 181356252 /nfs/dbraw/zinc/35/62/52/181356252.db2.gz XYIXNDFQNMYLLB-RDJZCZTQSA-N 0 0 307.422 3.254 1 0 DGAFRN CCn1c2ccccc2c2nnc(NCc3cccnc3)nc21 ZINC000006781639 181387575 /nfs/dbraw/zinc/38/75/75/181387575.db2.gz YAWBAVASTOGLPO-UHFFFAOYSA-N 0 0 304.357 3.007 1 0 DGAFRN Cc1ccc2c(cc3c(=O)n(Cc4cccc(F)c4)nc(C)n32)c1 ZINC000006803354 181390901 /nfs/dbraw/zinc/39/09/01/181390901.db2.gz WAKSTHTUSWMJQY-UHFFFAOYSA-N 0 0 321.355 3.453 1 0 DGAFRN CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C ZINC000096271160 193607947 /nfs/dbraw/zinc/60/79/47/193607947.db2.gz DJRXZTPBXKMXJQ-UHFFFAOYSA-N 0 0 302.422 3.158 1 0 DGAFRN CCCCN(C)c1c2c[nH]nc2ncc1C(=O)c1ccccc1 ZINC000013488407 181855623 /nfs/dbraw/zinc/85/56/23/181855623.db2.gz LSAWGQJDBRUEJE-UHFFFAOYSA-N 0 0 308.385 3.425 1 0 DGAFRN COc1cc([C@H]2OC[C@]3(CO)[C@H](C)[C@H]2C(C)=C[C@@H]3C)ccc1O ZINC000013643328 181873142 /nfs/dbraw/zinc/87/31/42/181873142.db2.gz JVGXICUTXHMMNN-KFNRRLBXSA-N 0 0 318.413 3.299 1 0 DGAFRN COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1O ZINC000013607899 181868379 /nfs/dbraw/zinc/86/83/79/181868379.db2.gz PJCOYSVLNFEHHI-UHFFFAOYSA-N 0 0 320.341 3.006 1 0 DGAFRN Cc1ccc2c(c1)COc1c3ccc(C(=O)NC(C)C)cc3nn1-2 ZINC000013657661 181874873 /nfs/dbraw/zinc/87/48/73/181874873.db2.gz SQTVAWOMTSLXGB-UHFFFAOYSA-N 0 0 321.380 3.365 3 0 DGAFRN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccn2)[nH]n1 ZINC000015785526 182017168 /nfs/dbraw/zinc/01/71/68/182017168.db2.gz ATNOKQSKVKPRCA-UHFFFAOYSA-N 0 0 300.268 3.002 1 0 DGAFRN CC(C)CN1C[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)CC1=O ZINC000019791257 182148785 /nfs/dbraw/zinc/14/87/85/182148785.db2.gz NHOFIOQXLHJMSM-ZDUSSCGKSA-N 0 0 301.365 3.188 1 0 DGAFRN S=C1SCN(Cc2cccnc2)CN1Cc1ccccc1 ZINC000020662461 182241819 /nfs/dbraw/zinc/24/18/19/182241819.db2.gz MDANCUAEFSMZMJ-UHFFFAOYSA-N 0 0 315.467 3.333 3 0 DGAFRN O=c1c(NCc2ccccc2)nccn1-c1ccc(Cl)cc1 ZINC000021536928 182279300 /nfs/dbraw/zinc/27/93/00/182279300.db2.gz TWBXPIKVBPRLPJ-UHFFFAOYSA-N 0 0 311.772 3.498 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)[C@@H]1c2cccc(OC)c2[C@@]1(O)CC3 ZINC000026576581 182446697 /nfs/dbraw/zinc/44/66/97/182446697.db2.gz UUCAEDABCSWOIB-PMACEKPBSA-N 0 0 321.376 3.464 1 0 DGAFRN O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000029127070 182552638 /nfs/dbraw/zinc/55/26/38/182552638.db2.gz AZEYWBIKLUFKOJ-JFUSQASVSA-N 0 0 310.275 3.025 1 0 DGAFRN NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1 ZINC000028950550 182546718 /nfs/dbraw/zinc/54/67/18/182546718.db2.gz QEAKQZWSKOMZSQ-UHFFFAOYSA-N 0 0 323.331 3.202 1 0 DGAFRN CN1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 ZINC000034372229 182732514 /nfs/dbraw/zinc/73/25/14/182732514.db2.gz HJJUMSXYWWUISZ-NPFZYRJPSA-N 0 0 305.462 3.211 1 0 DGAFRN O=C(OC1CCCC1)[C@H]1Cc2c3ccccc3sc2CN1 ZINC000036187807 182808731 /nfs/dbraw/zinc/80/87/31/182808731.db2.gz IUMNHHXGYIUGBK-CQSZACIVSA-N 0 0 301.411 3.401 1 0 DGAFRN CC(=O)Nc1ccc(SCCN2CC[C@@H](C)CCC2=O)cc1 ZINC000036388003 182822577 /nfs/dbraw/zinc/82/25/77/182822577.db2.gz IGNIVSQYRUWDTB-ZDUSSCGKSA-N 0 0 320.458 3.386 3 0 DGAFRN O=c1c2ccccc2c(C(=S)Nc2ccccc2)c2n1CCN2 ZINC000101682498 193835244 /nfs/dbraw/zinc/83/52/44/193835244.db2.gz MCDUSWVITUHFBX-UHFFFAOYSA-N 0 0 321.405 3.215 1 0 DGAFRN CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(F)c(F)c1 ZINC000038841157 183011089 /nfs/dbraw/zinc/01/10/89/183011089.db2.gz MVZIXWFOMRLWSI-GFCCVEGCSA-N 0 0 310.344 3.084 1 0 DGAFRN CC1(C)Oc2ccncc2[C@@H](n2ccnc2-c2ccccc2)[C@@H]1O ZINC000040392814 183059975 /nfs/dbraw/zinc/05/99/75/183059975.db2.gz IGAICZSUCVETOD-SJORKVTESA-N 0 0 321.380 3.066 1 0 DGAFRN Fc1ccc([C@@H](c2cn(-c3ccccc3)nn2)n2ccnc2)cc1 ZINC000040404175 183062177 /nfs/dbraw/zinc/06/21/77/183062177.db2.gz VQONRFQUJPDYNB-SFHVURJKSA-N 0 0 319.343 3.241 1 0 DGAFRN O=c1nc(-c2ccc3n[nH]cc3c2)cc(-c2ccccc2F)[nH]1 ZINC000040424134 183065144 /nfs/dbraw/zinc/06/51/44/183065144.db2.gz YOAXEIQBHIJOOA-UHFFFAOYSA-N 0 0 306.300 3.119 1 0 DGAFRN C(=C/c1ccccc1)\c1nc2ccccc2n1CN1CCOCC1 ZINC000040423382 183065274 /nfs/dbraw/zinc/06/52/74/183065274.db2.gz NHCJVBZHGNDLKN-ZHACJKMWSA-N 0 0 319.408 3.496 1 0 DGAFRN O=C(N[C@H]1CCc2cc(F)ccc21)C(=O)c1c[nH]c2ccccc12 ZINC000040430095 183065705 /nfs/dbraw/zinc/06/57/05/183065705.db2.gz FCYPCFSFYDNWLQ-KRWDZBQOSA-N 0 0 322.339 3.293 1 0 DGAFRN NC(=O)c1cccc2ncc(-c3ccc(C(F)(F)F)cc3)nc21 ZINC000040934176 183149353 /nfs/dbraw/zinc/14/93/53/183149353.db2.gz TVFZZQMNVBEMRP-UHFFFAOYSA-N 0 0 317.270 3.415 1 0 DGAFRN COC(=O)O[C@H](c1ccccc1)c1ccc(OC(C)=O)cc1 ZINC000040876796 183145297 /nfs/dbraw/zinc/14/52/97/183145297.db2.gz QEJGDPBAAHQBHG-MRXNPFEDSA-N 0 0 300.310 3.484 1 0 DGAFRN CC(=O)Oc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000043072843 183334480 /nfs/dbraw/zinc/33/44/80/183334480.db2.gz JJJFCTITWOSQPS-UHFFFAOYSA-N 0 0 313.397 3.311 1 0 DGAFRN COc1ccc(CC(=O)Nc2cn(Cc3ccccc3)cn2)cc1 ZINC000045257372 183491308 /nfs/dbraw/zinc/49/13/08/183491308.db2.gz QIOPYNKQLGMAKT-UHFFFAOYSA-N 0 0 321.380 3.121 1 0 DGAFRN CCOC(=O)c1c(O)c2c(cccc2OC)nc1-c1ccccc1 ZINC000049068371 183709938 /nfs/dbraw/zinc/70/99/38/183709938.db2.gz MFQZBXOSPJULPA-UHFFFAOYSA-N 0 0 323.348 3.380 1 0 DGAFRN C[C@H]1C[C@@H]2CN3[C@](CC[C@@]4(C)[C@]5(C)CCC[C@]34OC(=O)C5)(C1)O2 ZINC000058672870 184126266 /nfs/dbraw/zinc/12/62/66/184126266.db2.gz HPQRXGNIEYOBRA-TTWWCZNXSA-N 0 0 319.445 3.447 1 0 DGAFRN COc1cccc(NC(=O)[C@]2(C)CCN2CCc2ccccc2)c1 ZINC000061908932 184194722 /nfs/dbraw/zinc/19/47/22/184194722.db2.gz JPEJFIXTXCQPKD-FQEVSTJZSA-N 0 0 324.424 3.341 3 0 DGAFRN CCCCNC(=O)N1OC[C@H]2CSc3ccc(F)cc3[C@H]21 ZINC000062225426 184223958 /nfs/dbraw/zinc/22/39/58/184223958.db2.gz KQWKEFISWLJZKO-HZMBPMFUSA-N 0 0 310.394 3.346 1 0 DGAFRN COC(=O)c1cnccc1NC(=O)Cc1cccc2ccccc21 ZINC000064573460 184300592 /nfs/dbraw/zinc/30/05/92/184300592.db2.gz SXKHEFOJRJSMLY-UHFFFAOYSA-N 0 0 320.348 3.203 1 0 DGAFRN CC(C)=CCC[C@@H](C)[C@@H]1[C@H](O)C[C@](C)(O)[C@@H]2CC=C(C)[C@H]2[C@@H]1O ZINC000066080270 184387740 /nfs/dbraw/zinc/38/77/40/184387740.db2.gz BGMRRLCQETUGKE-ZSGYZSAGSA-N 0 0 322.489 3.444 1 0 DGAFRN COc1cc2oc(C)cc(=O)c2c(OCC=C(C)C)c1OC ZINC000066100663 184389435 /nfs/dbraw/zinc/38/94/35/184389435.db2.gz LTRLIWRIEXVHDT-UHFFFAOYSA-N 0 0 304.342 3.464 1 0 DGAFRN Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc21 ZINC000066166768 184394663 /nfs/dbraw/zinc/39/46/63/184394663.db2.gz DVPGJFJTYKYKCN-UHFFFAOYSA-N 0 0 323.377 3.009 1 0 DGAFRN COc1cc(N2C(=O)C[C@H]2c2cccs2)cc(OC)c1OC ZINC000066258373 184399101 /nfs/dbraw/zinc/39/91/01/184399101.db2.gz DEUQTIWNVAHXOI-NSHDSACASA-N 0 0 319.382 3.252 1 0 DGAFRN C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCCC3)[C@]1(CO)[C@@H](O)C2 ZINC000085547557 560072285 /nfs/dbraw/zinc/07/22/85/560072285.db2.gz YNWDZTRSRQYJLR-FYAJOAKPSA-N 0 0 308.462 3.012 1 0 biogenic,in-vitro DGAFRN Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccccc2)cc1 ZINC000013378193 560215696 /nfs/dbraw/zinc/21/56/96/560215696.db2.gz GIJBVGHAAVSQGB-RTBURBONSA-N 0 0 300.398 3.070 1 0 biogenic,in-vitro DGAFRN CC(C)=CCc1cc2c(c(C=O)c1O)CC[C@H](/C=C/[C@@H](C)O)O2 ZINC000013385301 560216132 /nfs/dbraw/zinc/21/61/32/560216132.db2.gz XWZLFKLXNARMNW-LGVMCUBASA-N 0 0 316.397 3.344 1 0 in-vitro DGAFRN COc1ccc2c(c1)O[C@@H]1c3ccc(OC)c(OC)c3OC[C@@H]21 ZINC000014822209 571724727 /nfs/dbraw/zinc/72/47/27/571724727.db2.gz XLPOISABZDNFQM-XJKSGUPXSA-N 0 0 314.337 3.322 1 0 endogenous,in-man DGAFRN O=C(COc1ccccc1)Nc1ccc(C(=O)C(F)(F)F)cc1 ZINC000028880231 1094947811 /nfs/dbraw/zinc/94/78/11/1094947811.db2.gz DQUYKRGZNRFVAK-UHFFFAOYSA-N 0 0 323.270 3.449 1 0 DGAFRN CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@H]12 ZINC000095565622 185380144 /nfs/dbraw/zinc/38/01/44/185380144.db2.gz HJJUMSXYWWUISZ-ABXICJCBSA-N 0 0 305.462 3.211 1 0 DGAFRN CCNC(=O)N=c1[nH]c2ccc(-c3ccccc3OCC)cc2[nH]1 ZINC000095604244 185382384 /nfs/dbraw/zinc/38/23/84/185382384.db2.gz ZTXAFQVGNZMNMQ-UHFFFAOYSA-N 0 0 324.384 3.192 1 0 DGAFRN OCc1cc2c(o1)c1ccccc1n2Cc1ccc(CO)s1 ZINC000096917724 185391364 /nfs/dbraw/zinc/39/13/64/185391364.db2.gz UGBKEXRNCDQCLG-UHFFFAOYSA-N 0 0 313.378 3.482 1 0 DGAFRN OCc1cc2c(o1)c1ccccc1n2Cc1cccc(CO)c1 ZINC000096917713 185391399 /nfs/dbraw/zinc/39/13/99/185391399.db2.gz WZBYQKLBKWGIOF-UHFFFAOYSA-N 0 0 307.349 3.420 1 0 DGAFRN C/C=C/OC(=O)N[C@@H](c1ccccc1)[C@]1(C(C)=O)CCCC1=O ZINC000007992490 190629615 /nfs/dbraw/zinc/62/96/15/190629615.db2.gz ZUERLKAKQMUYDU-JMQFQAJDSA-N 0 0 315.369 3.316 1 0 DGAFRN COc1nccc2c(Nc3ccc(Cl)cc3)nc(N)nc21 ZINC000169327210 197741898 /nfs/dbraw/zinc/74/18/98/197741898.db2.gz JMXTZZXKYVLXDZ-UHFFFAOYSA-N 0 0 301.737 3.013 1 0 DGAFRN C[C@@]12CC[C@@H]3OCC[C@@H]3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000169366750 197746114 /nfs/dbraw/zinc/74/61/14/197746114.db2.gz BGQOLKHGZJRWDV-MUIRKLTRSA-N 0 0 320.473 3.131 1 0 DGAFRN O=C1Nc2ccccc2[C@H]1c1ccnc(Nc2ccc(O)cc2)n1 ZINC000102829637 185422813 /nfs/dbraw/zinc/42/28/13/185422813.db2.gz HXSABEKAHMMCAH-INIZCTEOSA-N 0 0 318.336 3.010 1 0 DGAFRN CNC(=O)[C@@H](OC)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103184597 185437111 /nfs/dbraw/zinc/43/71/11/185437111.db2.gz UFISATZIZZVZED-INIZCTEOSA-N 0 0 319.788 3.353 1 0 DGAFRN CC(=O)NCCC1=C(c2cccnc2)Cc2ccc3c(c21)CCO3 ZINC000071296586 190954573 /nfs/dbraw/zinc/95/45/73/190954573.db2.gz QYFZRIVETVFWFY-UHFFFAOYSA-N 0 0 320.392 3.010 1 0 DGAFRN Nc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12 ZINC000071318935 190957318 /nfs/dbraw/zinc/95/73/18/190957318.db2.gz WMVWYOOUSCWLPK-UHFFFAOYSA-N 0 0 304.357 3.122 1 0 DGAFRN CC(=O)Nc1ccc(C(=O)CSc2cccc(O)c2)cc1 ZINC000072107588 191038021 /nfs/dbraw/zinc/03/80/21/191038021.db2.gz ZKJBOQRBWXMBRK-UHFFFAOYSA-N 0 0 301.367 3.326 1 0 DGAFRN Brc1ccc(-c2nc(CN3CCC=N3)co2)cc1 ZINC000072182932 191072336 /nfs/dbraw/zinc/07/23/36/191072336.db2.gz DHLFUIARIIYJQH-UHFFFAOYSA-N 0 0 306.163 3.296 1 0 DGAFRN COc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1 ZINC000072317058 191121328 /nfs/dbraw/zinc/12/13/28/191121328.db2.gz IUAIHDZVYOYFBY-UHFFFAOYSA-N 0 0 319.368 3.073 1 0 DGAFRN COc1cccc(NC(=O)c2cnc3cc(C(C)=O)[nH]c3c2)c1 ZINC000072323380 191122036 /nfs/dbraw/zinc/12/20/36/191122036.db2.gz JKZJVLJWZSVMIC-UHFFFAOYSA-N 0 0 309.325 3.026 2 0 DGAFRN CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000015257058 290915683 /nfs/dbraw/zinc/91/56/83/290915683.db2.gz VCSOUOWRANCYKB-OAHLLOKOSA-N 0 0 308.374 3.024 1 0 biogenic,in-vitro DGAFRN CCCCC[C@H](O)C[C@@H](O)CCc1ccc(OC)c(OC)c1 ZINC000032298665 290915688 /nfs/dbraw/zinc/91/56/88/290915688.db2.gz HDNGHNOEMOMCKM-HOTGVXAUSA-N 0 0 310.434 3.329 1 0 biogenic,in-vitro DGAFRN CSc1nncc(-c2cc3c(c(SC)n2)CCCC3)n1 ZINC000000381719 180772375 /nfs/dbraw/zinc/77/23/75/180772375.db2.gz HYBANKKOBPMHOA-UHFFFAOYSA-N 0 0 304.444 3.256 1 0 DGAFRN CCOc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1 ZINC000002697281 180947524 /nfs/dbraw/zinc/94/75/24/180947524.db2.gz HIGQBYWQSGFTTR-UHFFFAOYSA-N 0 0 323.381 3.338 3 0 DGAFRN O=C(Oc1ccccc1)N1CCC2(CN(c3ccccn3)C2)CC1 ZINC000003955779 181059034 /nfs/dbraw/zinc/05/90/34/181059034.db2.gz UDJSNPNOMNABSB-UHFFFAOYSA-N 0 0 323.396 3.183 1 0 DGAFRN O=C(c1ccc(Br)cc1)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004103732 181073611 /nfs/dbraw/zinc/07/36/11/181073611.db2.gz HBPLDSGXCHOEEN-CUFDPUGPSA-N 0 0 318.214 3.343 1 0 DGAFRN CC(=O)NCCNc1nc(-c2ccccc2C)nc2ccccc21 ZINC000004239360 181087028 /nfs/dbraw/zinc/08/70/28/181087028.db2.gz ZWQBSEAYPMVKJR-UHFFFAOYSA-N 0 0 320.396 3.153 1 0 DGAFRN Cc1cc(SCc2ccc(C(F)(F)F)cc2)[nH]c(=O)n1 ZINC000004314763 181096697 /nfs/dbraw/zinc/09/66/97/181096697.db2.gz CQSNFIPYXCPYRW-UHFFFAOYSA-N 0 0 300.305 3.389 3 0 DGAFRN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000075402933 191470650 /nfs/dbraw/zinc/47/06/50/191470650.db2.gz DJUHCNIOYKAEKS-GOEBONIOSA-N 0 0 313.788 3.245 3 0 DGAFRN C[C@@H]1CCc2nn(CC(=O)Nc3ccccc3Cl)cc2C1 ZINC000005148173 181209418 /nfs/dbraw/zinc/20/94/18/181209418.db2.gz LLVXIUMNRJDUBM-LLVKDONJSA-N 0 0 303.793 3.300 1 0 DGAFRN CCc1cc(CCc2nc3c(o2)c(F)ccc3F)c(=O)[nH]c1C ZINC000005887016 181293152 /nfs/dbraw/zinc/29/31/52/181293152.db2.gz DZOQWZXXMIBPGC-UHFFFAOYSA-N 0 0 318.323 3.450 1 0 DGAFRN CO[C@H]1C[C@]2(C)[C@@H](O)[C@@H](F)C[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000006519482 181348573 /nfs/dbraw/zinc/34/85/73/181348573.db2.gz HPWNWIGEGOPWMQ-SLMGBJJTSA-N 0 0 320.404 3.182 1 0 DGAFRN COc1ncnc2oc(C)c(C(=O)Nc3cccc(Cl)c3)c21 ZINC000006738767 181380721 /nfs/dbraw/zinc/38/07/21/181380721.db2.gz SYFWZOUFLZPKFV-UHFFFAOYSA-N 0 0 317.732 3.446 1 0 DGAFRN CC(C)NC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806227 181391863 /nfs/dbraw/zinc/39/18/63/181391863.db2.gz KBEJQTBTWSTHMI-UHFFFAOYSA-N 0 0 303.431 3.425 1 0 DGAFRN CC(C)c1nnc(NC(=O)NC2C3CC4CC(C3)CC2C4)o1 ZINC000096271163 193607638 /nfs/dbraw/zinc/60/76/38/193607638.db2.gz GYRPEMAUAOASTR-UHFFFAOYSA-N 0 0 304.394 3.139 1 0 DGAFRN COc1ccc2nc3n(c(=O)c2c1)CCc1c2ccccc2[nH]c1-3 ZINC000013536394 181859065 /nfs/dbraw/zinc/85/90/65/181859065.db2.gz KFECAAIEDLDQPJ-UHFFFAOYSA-N 0 0 317.348 3.110 1 0 DGAFRN CCCn1cnc2c1c(=O)n(-c1ccccc1)c1ncccc21 ZINC000013731350 181886027 /nfs/dbraw/zinc/88/60/27/181886027.db2.gz HYGDKGIPWGAYQN-UHFFFAOYSA-N 0 0 304.353 3.145 1 0 DGAFRN COc1ccc2c(c1)c1c(n2C)CCC[C@H]1CNC(=O)C1CC1 ZINC000013777795 181894750 /nfs/dbraw/zinc/89/47/50/181894750.db2.gz PEWOCDAZZFLSOZ-ZDUSSCGKSA-N 0 0 312.413 3.133 1 0 DGAFRN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@]43C)[C@@H]1CC[C@@H]2O ZINC000016953261 182065486 /nfs/dbraw/zinc/06/54/86/182065486.db2.gz UJPILRQDXJVBHX-UPHDCGPKSA-N 0 0 303.446 3.036 1 0 DGAFRN C[C@@]12CC[C@@H]3[C@@H](CCC4=CC(=O)NCC[C@]43C)[C@@H]1CC[C@@H]2O ZINC000016953257 182065621 /nfs/dbraw/zinc/06/56/21/182065621.db2.gz UJPILRQDXJVBHX-MUTRFQPFSA-N 0 0 303.446 3.036 1 0 DGAFRN C[C@@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000017192778 182079514 /nfs/dbraw/zinc/07/95/14/182079514.db2.gz QQAIQSYUNZHALI-XCRHUMRWSA-N 0 0 309.369 3.361 1 0 DGAFRN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C ZINC000017326316 182083366 /nfs/dbraw/zinc/08/33/66/182083366.db2.gz SCKVBFYHMGNGQY-ZECFBFNRSA-N 0 0 320.429 3.476 3 0 DGAFRN C[C@H]1C[C@@H]2C[N+]3=C4CCC[C@](C)(CC(=O)[O-])[C@]4(C)CC[C@@]3(C1)O2 ZINC000026639975 182448348 /nfs/dbraw/zinc/44/83/48/182448348.db2.gz YIFMRXANNNHZHW-MFVLPEOLSA-O 0 0 320.453 3.430 1 0 DGAFRN C[S@](=O)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000098083260 193783893 /nfs/dbraw/zinc/78/38/93/193783893.db2.gz SJNOWDVGKZNWFB-RCDICMHDSA-N 0 0 321.348 3.220 1 0 DGAFRN CCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC ZINC000028232480 182514135 /nfs/dbraw/zinc/51/41/35/182514135.db2.gz WOSQZWQXWFVSTI-UHFFFAOYSA-N 0 0 323.396 3.484 1 0 DGAFRN CCCCC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000028572416 182529680 /nfs/dbraw/zinc/52/96/80/182529680.db2.gz KZIAPDCFFSSLEU-IAQYHMDHSA-N 0 0 322.202 3.418 1 0 DGAFRN Cn1ccc2c1cccc2-c1nnc(-c2ccc(O)cc2)n1C ZINC000029043160 182548891 /nfs/dbraw/zinc/54/88/91/182548891.db2.gz OUQNCJWPBUSXPR-UHFFFAOYSA-N 0 0 304.353 3.346 1 0 DGAFRN CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000101510658 193815026 /nfs/dbraw/zinc/81/50/26/193815026.db2.gz HPWKREGPOYLQJO-SXWSKBOKSA-N 0 0 318.398 3.142 1 0 DGAFRN FC(F)(F)c1ccccc1-c1nnc2ccc(NC3CC3)nn21 ZINC000038882718 183011795 /nfs/dbraw/zinc/01/17/95/183011795.db2.gz BGNSTSAZCBPMLZ-UHFFFAOYSA-N 0 0 319.290 3.384 1 0 DGAFRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH+]1Cc2ccccc2C1 ZINC000039983058 183026696 /nfs/dbraw/zinc/02/66/96/183026696.db2.gz IGDIEWAENXKBGB-SFHVURJKSA-N 0 0 306.365 3.179 1 0 DGAFRN CCCCC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc12 ZINC000040393366 183060875 /nfs/dbraw/zinc/06/08/75/183060875.db2.gz PNHVIUAPSLKFKQ-UHFFFAOYSA-N 0 0 317.776 3.213 1 0 DGAFRN COc1cc(Nc2nccc(-c3nccs3)n2)cc(OC)c1 ZINC000040407316 183062188 /nfs/dbraw/zinc/06/21/88/183062188.db2.gz GQUIEPYFROOKLV-UHFFFAOYSA-N 0 0 314.370 3.361 1 0 DGAFRN C[C@@H]1CN(Cc2ccc(-c3ccc(F)c(F)c3)nc2)C(=O)O1 ZINC000040413460 183063148 /nfs/dbraw/zinc/06/31/48/183063148.db2.gz RUKCYILBMVKJSG-SNVBAGLBSA-N 0 0 304.296 3.368 1 0 DGAFRN CCCCCC[C@@H]([C@H](C)O)n1cnc(C(=O)NC2CCCC2)c1 ZINC000040632540 183111314 /nfs/dbraw/zinc/11/13/14/183111314.db2.gz GMDIZGQCBDLIEQ-YOEHRIQHSA-N 0 0 321.465 3.448 1 0 DGAFRN COc1ccc(CNC(=O)c2ccc3ccc(C)nc3c2O)cc1 ZINC000040836156 183140176 /nfs/dbraw/zinc/14/01/76/183140176.db2.gz SGIUYYLUJCYNMB-UHFFFAOYSA-N 0 0 322.364 3.187 1 0 DGAFRN CCOC(=O)N1[C@@H]2CC[C@H]1[C@H](c1cc(Cl)nnc1Cl)C2 ZINC000040719874 183123993 /nfs/dbraw/zinc/12/39/93/183123993.db2.gz LDIBWAFIOOCUSR-WEDXCCLWSA-N 0 0 316.188 3.260 1 0 DGAFRN Cc1ccc2c(c1C)CN(S(C)(=O)=O)C[C@H]2c1ccccc1 ZINC000040762781 183130232 /nfs/dbraw/zinc/13/02/32/183130232.db2.gz GQVAAGPDZYINJD-SFHVURJKSA-N 0 0 315.438 3.211 1 0 DGAFRN C[C@H](NC1=NC(=O)[C@](C)(CC(C)(C)O)S1)c1ccc(F)cc1 ZINC000040874322 183145156 /nfs/dbraw/zinc/14/51/56/183145156.db2.gz UWEKJVSDSPQIOU-QFYYESIMSA-N 0 0 324.421 3.025 1 0 DGAFRN COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1C ZINC000040876787 183145239 /nfs/dbraw/zinc/14/52/39/183145239.db2.gz OCPLTHUVBCNDLA-UHFFFAOYSA-N 0 0 307.353 3.415 1 0 DGAFRN CC(C)[C@H](Cn1cccn1)OC(=O)Nc1ccc(F)cc1F ZINC000042887549 183316450 /nfs/dbraw/zinc/31/64/50/183316450.db2.gz PRJTWVUXXFJFGM-AWEZNQCLSA-N 0 0 309.316 3.435 1 0 DGAFRN CC[C@H](C)CN1C(=N)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000045303016 183496907 /nfs/dbraw/zinc/49/69/07/183496907.db2.gz NJKZVUKZUAAETO-HNNXBMFYSA-N 0 0 321.424 3.133 1 0 DGAFRN CCC(CC)N1C(=N)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000045337315 183498566 /nfs/dbraw/zinc/49/85/66/183498566.db2.gz OELMQHPEHXYFNV-UHFFFAOYSA-N 0 0 321.424 3.276 1 0 DGAFRN CCc1nc2ccccc2c(=O)n1NC(=O)Nc1cccc(C)c1 ZINC000045255485 183491449 /nfs/dbraw/zinc/49/14/49/183491449.db2.gz VHDBTPKSMJVJCI-UHFFFAOYSA-N 0 0 322.368 3.043 1 0 DGAFRN COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Cl)cc1 ZINC000103209113 193925390 /nfs/dbraw/zinc/92/53/90/193925390.db2.gz BXKHXYPEEOHSCZ-VIFPVBQESA-N 0 0 322.681 3.094 1 0 DGAFRN COc1ccccc1/C(=C/c1coc2nc(N)nc(N)c12)C1CC1 ZINC000058633332 184125708 /nfs/dbraw/zinc/12/57/08/184125708.db2.gz PUOLMVSSUQSKAQ-MDWZMJQESA-N 0 0 322.368 3.346 1 0 in-vitro DGAFRN CCCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc2scnc2c1 ZINC000061902638 184193531 /nfs/dbraw/zinc/19/35/31/184193531.db2.gz AXKWOYFTISKMEO-MRXNPFEDSA-N 0 0 317.414 3.026 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCN1C(=O)c1cc2ccccc2s1 ZINC000061897310 184193562 /nfs/dbraw/zinc/19/35/62/184193562.db2.gz VNDNHPFRPJPUJJ-MRXNPFEDSA-N 0 0 303.383 3.069 3 0 DGAFRN CCCCN(C=O)c1c(CC)nc2c(OCCC)cccn21 ZINC000061906163 184194006 /nfs/dbraw/zinc/19/40/06/184194006.db2.gz HIQWSKVKEFYPKK-UHFFFAOYSA-N 0 0 303.406 3.448 3 0 DGAFRN CNc1nc2ccsc2c(Nc2ccc(C(=O)OC)cc2)n1 ZINC000061905977 184194166 /nfs/dbraw/zinc/19/41/66/184194166.db2.gz TXDRKJALLGVEHG-UHFFFAOYSA-N 0 0 314.370 3.263 3 0 DGAFRN CNc1nc2ccsc2c(NCc2cccc(OC)c2)n1 ZINC000061908177 184194550 /nfs/dbraw/zinc/19/45/50/184194550.db2.gz RXMNCNWNIALPAQ-UHFFFAOYSA-N 0 0 300.387 3.354 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCCN1C(=O)c1cccc(Cl)c1 ZINC000061927113 184196315 /nfs/dbraw/zinc/19/63/15/184196315.db2.gz YQONLPSNXOFYFP-MRXNPFEDSA-N 0 0 309.793 3.288 3 0 DGAFRN CCOC(=O)c1c(O)cc(OC)cc1CCc1ccccc1 ZINC000061944957 184197744 /nfs/dbraw/zinc/19/77/44/184197744.db2.gz BWCIDHAQOYBHGS-UHFFFAOYSA-N 0 0 300.354 3.363 3 0 DGAFRN Nc1nnc2c3ccccc3c(Oc3ccccc3Cl)nn12 ZINC000064447071 184297230 /nfs/dbraw/zinc/29/72/30/184297230.db2.gz QTFLTEAHRBZIRH-UHFFFAOYSA-N 0 0 311.732 3.305 1 0 DGAFRN COc1ccc(C(=O)c2c[nH]c3c2ncnc3-c2ccco2)cc1 ZINC000064491755 184298427 /nfs/dbraw/zinc/29/84/27/184298427.db2.gz APQYNZOXBNOOHW-UHFFFAOYSA-N 0 0 319.320 3.458 1 0 DGAFRN CNS(=O)(=O)c1ccc(-c2ccc3c(O)cccc3c2)cc1 ZINC000066099493 184389013 /nfs/dbraw/zinc/38/90/13/184389013.db2.gz OSRMCLCQKSNYTQ-UHFFFAOYSA-N 0 0 313.378 3.121 1 0 DGAFRN Cc1nc2oc([C@H](C)OC(=O)Nc3ccccc3)c(C)n2n1 ZINC000066258828 184399468 /nfs/dbraw/zinc/39/94/68/184399468.db2.gz YOOLNDVTUWWSFB-JTQLQIEISA-N 0 0 300.318 3.249 1 0 DGAFRN C[C@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)CCCC1=O ZINC000005274391 431309316 /nfs/dbraw/zinc/30/93/16/431309316.db2.gz WIGLJHDXYHQDGW-CKFHNAJUSA-N 0 0 311.425 3.402 2 0 DGAFRN COc1cc(OC)c2c(c1)O[C@H](c1ccc3c(c1)OCO3)CC2 ZINC000032296394 560089329 /nfs/dbraw/zinc/08/93/29/560089329.db2.gz NNIHTBLNMJICQR-AWEZNQCLSA-N 0 0 314.337 3.499 1 0 biogenic,in-vitro DGAFRN O=C(/C=C/C=C/CCc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000014657886 560224162 /nfs/dbraw/zinc/22/41/62/560224162.db2.gz FNECAUUPWFQEGF-RPFQBYKKSA-N 0 0 313.397 3.473 1 0 biogenic,in-vitro DGAFRN Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)o1 ZINC000104373729 630444098 /nfs/dbraw/zinc/44/40/98/630444098.db2.gz JOEJWECAZRLOBJ-LETJQTEFSA-N 0 0 319.401 3.228 3 0 DGAFRN Fc1ccc(Cn2nnc3ncc(-c4ccc(F)cc4)nc32)cc1 ZINC000095557041 185379666 /nfs/dbraw/zinc/37/96/66/185379666.db2.gz AXUUDVBUGHICDU-UHFFFAOYSA-N 0 0 323.306 3.215 1 0 DGAFRN CCOc1ncncc1-c1cccc2c1ncn2CC(F)(F)F ZINC000095563549 185379870 /nfs/dbraw/zinc/37/98/70/185379870.db2.gz MYGRSEGEONREBO-UHFFFAOYSA-N 0 0 322.290 3.454 1 0 DGAFRN Nc1ncncc1-c1cccc2c1ncn2-c1ccc(F)cc1F ZINC000095562839 185379941 /nfs/dbraw/zinc/37/99/41/185379941.db2.gz UAWBRNLGWHLMBA-UHFFFAOYSA-N 0 0 323.306 3.343 1 0 DGAFRN CC(=O)Nc1nc(C)c(-c2cnc(Cc3cccnc3)o2)s1 ZINC000095562630 185380000 /nfs/dbraw/zinc/38/00/00/185380000.db2.gz LOHNHPSSJIPXKV-UHFFFAOYSA-N 0 0 314.370 3.051 1 0 DGAFRN Clc1ccccc1CSc1nnc(-c2cnccn2)o1 ZINC000095580655 185381174 /nfs/dbraw/zinc/38/11/74/185381174.db2.gz GAFBWWVNPPOJFY-UHFFFAOYSA-N 0 0 304.762 3.472 1 0 DGAFRN Nc1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000095582111 185381236 /nfs/dbraw/zinc/38/12/36/185381236.db2.gz BVZQFDWOXXLDGB-UHFFFAOYSA-N 0 0 301.353 3.124 1 0 DGAFRN CN(C)c1ccc(-c2ccc(Cn3cccc(O)c3=O)cc2)cc1 ZINC000095586074 185381532 /nfs/dbraw/zinc/38/15/32/185381532.db2.gz JENLRYFRAYXRQL-UHFFFAOYSA-N 0 0 320.392 3.335 1 0 DGAFRN O=C1c2cc(OC(F)(F)F)ccc2N2Cc3cccnc3N=C12 ZINC000095601418 185382324 /nfs/dbraw/zinc/38/23/24/185382324.db2.gz WYGVDNKDRKOUIR-UHFFFAOYSA-N 0 0 319.242 3.227 1 0 DGAFRN Cc1c(C(=O)Nc2cccc(C)n2)nn(C)c1-c1ccccc1 ZINC000095604662 185382681 /nfs/dbraw/zinc/38/26/81/185382681.db2.gz PDUYPEOJRTWPFT-UHFFFAOYSA-N 0 0 306.369 3.351 1 0 DGAFRN Cc1nc2nc(C)cc(Nc3ccc(Br)cc3)n2n1 ZINC000004822713 282129875 /nfs/dbraw/zinc/12/98/75/282129875.db2.gz NWZGBKYKGPGJOQ-UHFFFAOYSA-N 0 0 318.178 3.247 3 0 DGAFRN Cn1cnc(-c2nc3sc(Cc4ccccc4)cc3c(N)n2)c1 ZINC000096907776 185390718 /nfs/dbraw/zinc/39/07/18/185390718.db2.gz IALIDEAJOWYECV-UHFFFAOYSA-N 0 0 321.409 3.265 1 0 DGAFRN CCCCCC(=O)Nc1nnc(-c2ccc(O)c(OC)c2)s1 ZINC000096916867 185391530 /nfs/dbraw/zinc/39/15/30/185391530.db2.gz KWTNWXUICRTCLY-UHFFFAOYSA-N 0 0 321.402 3.438 1 0 DGAFRN CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCC2 ZINC000096928371 185392323 /nfs/dbraw/zinc/39/23/23/185392323.db2.gz RETSFECQNLSYQB-UHFFFAOYSA-N 0 0 324.424 3.067 1 0 DGAFRN CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccn1 ZINC000082155577 192362189 /nfs/dbraw/zinc/36/21/89/192362189.db2.gz CXQNEVRYYVNEPN-IBGZPJMESA-N 0 0 317.348 3.474 1 0 DGAFRN O=c1[nH]c2ncc(-c3ccc(O)cc3)nc2n1CC1CCCCC1 ZINC000082154973 192362385 /nfs/dbraw/zinc/36/23/85/192362385.db2.gz CBQPVWSEQWAVRJ-UHFFFAOYSA-N 0 0 324.384 3.073 1 0 DGAFRN CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@]43O2 ZINC000169340041 197743101 /nfs/dbraw/zinc/74/31/01/197743101.db2.gz KJVXXRSBNUNPRS-IYWCECFBSA-N 0 0 324.417 3.014 1 0 DGAFRN COC(=O)c1nc(-c2ccc(Cl)cc2)sc1C(=O)OC ZINC000071317233 190957170 /nfs/dbraw/zinc/95/71/70/190957170.db2.gz HMJAWPXIKMDECG-UHFFFAOYSA-N 0 0 311.746 3.037 1 0 DGAFRN CCOC(=O)C=Cc1c(=O)[nH]cnc1Oc1ccccc1Cl ZINC000072177349 191070229 /nfs/dbraw/zinc/07/02/29/191070229.db2.gz BHENOHBDHAIRNL-BQYQJAHWSA-N 0 0 320.732 3.204 1 0 DGAFRN Clc1ncnc2c1ncn2C[C@H]1COc2ccccc2S1 ZINC000072179456 191071695 /nfs/dbraw/zinc/07/16/95/191071695.db2.gz DEPFPAIKLFSLOM-VIFPVBQESA-N 0 0 318.789 3.033 1 0 DGAFRN COc1cnc2c3c1cc(OC)c(OC)c3-c1ccccc1C2=O ZINC000003645208 290917403 /nfs/dbraw/zinc/91/74/03/290917403.db2.gz KTFPZTCBZNFIPH-UHFFFAOYSA-N 0 0 321.332 3.472 1 0 biogenic,in-vitro DGAFRN CCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)cn1 ZINC000001358325 180856775 /nfs/dbraw/zinc/85/67/75/180856775.db2.gz IYHLPDCYTKKYMY-UHFFFAOYSA-N 0 0 313.357 3.081 3 0 DGAFRN Cn1c2ccccc2c2c1[C@]13C[C@@H]4CCC[C@@]4(S1)C(=O)N3CC2 ZINC000001863615 180899903 /nfs/dbraw/zinc/89/99/03/180899903.db2.gz XMKZSJNAJUEYTO-NXXSPTCGSA-N 0 0 324.449 3.405 1 0 DGAFRN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1Cc1ccccc1 ZINC000073158161 191286439 /nfs/dbraw/zinc/28/64/39/191286439.db2.gz JHPBGDBTBGLGOG-IBGZPJMESA-N 0 0 320.392 3.268 1 0 DGAFRN Clc1ccc2c(c1)nccc2NCCCCn1cncn1 ZINC000073166662 191287659 /nfs/dbraw/zinc/28/76/59/191287659.db2.gz ZTXVRRHSCXQWHR-UHFFFAOYSA-N 0 0 301.781 3.372 1 0 DGAFRN Cc1cc(Cl)ccc1NCc1ccc2nc(N)nc(N)c2c1 ZINC000003815023 181047274 /nfs/dbraw/zinc/04/72/74/181047274.db2.gz LUAPOUXUEGCVKI-UHFFFAOYSA-N 0 0 313.792 3.368 1 0 DGAFRN O=C(c1cc(-c2ccc(O)cc2)on1)N1CCc2ccccc2C1 ZINC000003907765 181056393 /nfs/dbraw/zinc/05/63/93/181056393.db2.gz MKHOOOHNOYEQPO-UHFFFAOYSA-N 0 0 320.348 3.246 1 0 DGAFRN Cc1cc2ccccc2c(=O)n1CC(=O)N(C)c1ccc(F)cc1 ZINC000004142223 181078391 /nfs/dbraw/zinc/07/83/91/181078391.db2.gz WHRXFNNOBHKXLE-UHFFFAOYSA-N 0 0 324.355 3.112 3 0 DGAFRN CNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc21 ZINC000004239203 181086808 /nfs/dbraw/zinc/08/68/08/181086808.db2.gz AYYZPYQDRGLVLE-UHFFFAOYSA-N 0 0 306.369 3.040 1 0 DGAFRN Nc1nccc(-c2c3ccccn3nc2-c2ccc(F)cc2)n1 ZINC000073277575 191300088 /nfs/dbraw/zinc/30/00/88/191300088.db2.gz OHHNNEZCGIDRPO-UHFFFAOYSA-N 0 0 305.316 3.180 1 0 DGAFRN CCCCn1c(SCC(=O)OCC)nnc1-c1ccoc1C ZINC000004388575 181105635 /nfs/dbraw/zinc/10/56/35/181105635.db2.gz FKAGWPVGPKMWJG-UHFFFAOYSA-N 0 0 323.418 3.302 3 0 DGAFRN COCCNc1cc(C)nc(-c2ccc(Br)cc2)n1 ZINC000073312319 191303415 /nfs/dbraw/zinc/30/34/15/191303415.db2.gz DKPSZYFWHACRTC-UHFFFAOYSA-N 0 0 322.206 3.273 1 0 DGAFRN Cn1c(C(=O)NCc2ccccn2)cc2oc3ccccc3c21 ZINC000004918691 181173133 /nfs/dbraw/zinc/17/31/33/181173133.db2.gz QZFYRAQDHBJEJP-UHFFFAOYSA-N 0 0 305.337 3.250 1 0 DGAFRN O=C1c2ccccc2[C@@H](Nc2cccnc2)N1c1cccnc1 ZINC000004917987 181173145 /nfs/dbraw/zinc/17/31/45/181173145.db2.gz ZBWNWPPYMJOLPH-KRWDZBQOSA-N 0 0 302.337 3.248 1 0 DGAFRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000004991543 181186873 /nfs/dbraw/zinc/18/68/73/181186873.db2.gz ZQGHLAQDVQGEAY-VBQJREDUSA-N 0 0 314.429 3.368 1 0 DGAFRN C[C@@H]1CCC[C@@H](NC(=O)Cn2cc3c(n2)CCCCC3)[C@@H]1C ZINC000005148786 181209350 /nfs/dbraw/zinc/20/93/50/181209350.db2.gz COFHAMQZCYUKLI-IIAWOOMASA-N 0 0 303.450 3.093 3 0 DGAFRN CCc1cc(NCc2cc3ccccc3nc2OC)c(=O)[nH]c1C ZINC000005847452 181289378 /nfs/dbraw/zinc/28/93/78/181289378.db2.gz BMFQESNBBBGHEM-UHFFFAOYSA-N 0 0 323.396 3.415 1 0 DGAFRN CCc1cc(CCc2nc3cc(F)ccc3o2)c(=O)[nH]c1C ZINC000005887040 181293063 /nfs/dbraw/zinc/29/30/63/181293063.db2.gz BYDLOHQOSXPYSL-UHFFFAOYSA-N 0 0 300.333 3.311 1 0 DGAFRN Cc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)nc1 ZINC000005931023 181297064 /nfs/dbraw/zinc/29/70/64/181297064.db2.gz LYVZDNAEPHFSCA-OAHLLOKOSA-N 0 0 306.337 3.447 1 0 DGAFRN CC(=O)c1[nH]c(NC(C)C)c(C(=S)Nc2ccccc2)c1N ZINC000005962987 181301655 /nfs/dbraw/zinc/30/16/55/181301655.db2.gz INLDOJMEBAEMQR-UHFFFAOYSA-N 0 0 316.430 3.407 1 0 DGAFRN COc1ccc(C[C@@H](c2ccc(OC)cc2)n2cnnc2)cc1 ZINC000006484331 181344261 /nfs/dbraw/zinc/34/42/61/181344261.db2.gz RMFDMGBMZJKWDG-SFHVURJKSA-N 0 0 309.369 3.127 1 0 DGAFRN CCCC1(CCC)C(=O)N=C(Nc2ccc(C)cc2)NC1=O ZINC000006493318 181346001 /nfs/dbraw/zinc/34/60/01/181346001.db2.gz WWEMTCBGYKIQKE-UHFFFAOYSA-N 0 0 301.390 3.006 3 0 DGAFRN Cc1cc(C)c2c(c1)CO[C@H]([C@@H](O)CO)[C@H]2/C=C/c1ccccc1 ZINC000195392369 201386329 /nfs/dbraw/zinc/38/63/29/201386329.db2.gz FHRXQABKTKQZJZ-JOEOGJHWSA-N 0 0 324.420 3.352 1 0 DGAFRN NC(=O)c1[nH]c2ccc(Cl)cc2c1[S@@](=O)c1ccccc1 ZINC000006582388 181356697 /nfs/dbraw/zinc/35/66/97/181356697.db2.gz KFQBSPAPUUVFBQ-OAQYLSRUSA-N 0 0 318.785 3.087 1 0 DGAFRN Cc1c(C(=O)NCc2ccccc2)oc2c1-c1n[nH]cc1CC2 ZINC000006748355 181382679 /nfs/dbraw/zinc/38/26/79/181382679.db2.gz LXQMGEVQLPPXIW-UHFFFAOYSA-N 0 0 307.353 3.007 1 0 DGAFRN CCCCNC(=O)c1ccc(C[S@@](=O)c2ccccc2C)o1 ZINC000006772174 181385899 /nfs/dbraw/zinc/38/58/99/181385899.db2.gz XOCKBUKSGDIOEZ-QFIPXVFZSA-N 0 0 319.426 3.426 1 0 DGAFRN CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806228 181391906 /nfs/dbraw/zinc/39/19/06/181391906.db2.gz TXOSXSHVJXIVHV-UHFFFAOYSA-N 0 0 303.431 3.426 1 0 DGAFRN CCc1cc(O)c(C)c(OC)c1C[C@@H](C)C(=O)C[C@@H](O)CC ZINC000095592677 193446289 /nfs/dbraw/zinc/44/62/89/193446289.db2.gz XBTQSAVEBBVBMO-RISCZKNCSA-N 0 0 308.418 3.180 1 0 DGAFRN CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1nnn[n-]1 ZINC000013472127 181853529 /nfs/dbraw/zinc/85/35/29/181853529.db2.gz IBQZYICXZJVDIQ-UHFFFAOYSA-N 0 0 308.409 3.390 1 0 DGAFRN O=C(OCc1ccccc1)N1C(=O)C(=O)c2cc(Cl)ccc21 ZINC000013553658 181861293 /nfs/dbraw/zinc/86/12/93/181861293.db2.gz RFCQIYCQPYAQKC-UHFFFAOYSA-N 0 0 315.712 3.206 1 0 DGAFRN CSc1sc(-c2ncn(C)n2)c2c1C(=O)CC(C)(C)C2 ZINC000013520432 181858272 /nfs/dbraw/zinc/85/82/72/181858272.db2.gz HRUDFUBJGCKXQF-UHFFFAOYSA-N 0 0 307.444 3.421 1 0 DGAFRN O=c1[nH]c2ccc(Cl)cc2c2nc(-c3cccs3)nn21 ZINC000013860974 181907538 /nfs/dbraw/zinc/90/75/38/181907538.db2.gz YOMYBPIIRUHFRM-UHFFFAOYSA-N 0 0 302.746 3.365 1 0 DGAFRN C[C@H](NC1=NC(=O)[C@@](C)(C(F)(F)F)S1)c1ccccc1F ZINC000014953779 181977885 /nfs/dbraw/zinc/97/78/85/181977885.db2.gz KNHNFKZUNFPPQE-MADCSZMMSA-N 0 0 320.311 3.427 1 0 in-vivo DGAFRN CC(C)[C@H]1CS[C@H]2N1C(=O)[C@@]2(OCc1ccccc1)C1CC1 ZINC000017223707 182080473 /nfs/dbraw/zinc/08/04/73/182080473.db2.gz PVAYOPQURUHFJD-NXHRZFHOSA-N 0 0 317.454 3.292 1 0 DGAFRN COc1cc(OC)c2c(c1)O[C@H](c1ccccc1O)CC2=O ZINC000098083387 193783392 /nfs/dbraw/zinc/78/33/92/193783392.db2.gz RJARJFKDBZQHSG-AWEZNQCLSA-N 0 0 300.310 3.116 1 0 DGAFRN Cc1nnc(-c2ccccc2-c2ccc(Cn3cncn3)cc2)o1 ZINC000098084145 193783867 /nfs/dbraw/zinc/78/38/67/193783867.db2.gz XPKHAUQPEXOOOU-UHFFFAOYSA-N 0 0 317.352 3.352 1 0 DGAFRN CCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2 ZINC000028233241 182514140 /nfs/dbraw/zinc/51/41/40/182514140.db2.gz ZBBBBJOICCJYNT-UHFFFAOYSA-N 0 0 321.380 3.238 1 0 DGAFRN O=C1[C@H]2[C@@H](C(=O)N1C13CC4CC(CC(C4)C1)C3)[C@@H]1C=C[C@H]2CC1 ZINC000028711731 182536007 /nfs/dbraw/zinc/53/60/07/182536007.db2.gz XMCCYLBYUXPUFK-PEJXHNRWSA-N 0 0 311.425 3.152 1 0 DGAFRN CCSC(=S)SCC(=O)c1cccc2c1OCCO2 ZINC000028709985 182536254 /nfs/dbraw/zinc/53/62/54/182536254.db2.gz RSQUORCDABKBTD-UHFFFAOYSA-N 0 0 314.453 3.412 1 0 DGAFRN Cc1ccc2c(c1)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1 ZINC000038156066 182994661 /nfs/dbraw/zinc/99/46/61/182994661.db2.gz GCISEGBZADPWLU-GOSISDBHSA-N 0 0 310.397 3.330 1 0 DGAFRN CN(C)c1c2ccccc2[nH]c(=O)c1-c1nc2ccccc2[nH]1 ZINC000040429756 183066131 /nfs/dbraw/zinc/06/61/31/183066131.db2.gz UYTJXDFQTNTAET-UHFFFAOYSA-N 0 0 304.353 3.137 1 0 DGAFRN COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)nc1 ZINC000040698231 183119426 /nfs/dbraw/zinc/11/94/26/183119426.db2.gz BBTCCTMWYWNWGF-WAYWQWQTSA-N 0 0 301.342 3.286 1 0 DGAFRN O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1CO ZINC000040846988 183141308 /nfs/dbraw/zinc/14/13/08/183141308.db2.gz FPMBHOCTWJSEJG-LZSLGQGWSA-N 0 0 323.348 3.116 1 0 DGAFRN CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)[C@H](C)c1ccccc1 ZINC000040860150 183143255 /nfs/dbraw/zinc/14/32/55/183143255.db2.gz QHRYOTPPIXQUBM-CJNGLKHVSA-N 0 0 322.426 3.204 1 0 DGAFRN COc1cc2c3c(oc(=O)c2cc1OC)-c1ccccc1C3=O ZINC000040762897 183130383 /nfs/dbraw/zinc/13/03/83/183130383.db2.gz CCHIALXGDNFZST-UHFFFAOYSA-N 0 0 308.289 3.022 1 0 DGAFRN Cc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1 ZINC000040914668 183148416 /nfs/dbraw/zinc/14/84/16/183148416.db2.gz XZSYGIPHRZNQNN-UHFFFAOYSA-N 0 0 312.398 3.453 1 0 DGAFRN O=c1[nH]c2cc(F)c(Cl)cc2n1Cc1c(F)cccc1F ZINC000040916519 183148485 /nfs/dbraw/zinc/14/84/85/183148485.db2.gz BNMRVQMGCHLQOG-UHFFFAOYSA-N 0 0 312.678 3.449 1 0 DGAFRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1Nc1ccc(Cl)cc1Cl ZINC000040918981 183148877 /nfs/dbraw/zinc/14/88/77/183148877.db2.gz PUYUVJSCQSFQPG-UWVGGRQHSA-N 0 0 313.184 3.496 1 0 DGAFRN Cc1cccc([C@@H]2c3cc4c(cc3NC3=COC(=O)C32)OCO4)c1 ZINC000040939299 183149606 /nfs/dbraw/zinc/14/96/06/183149606.db2.gz TWXVOXGPOPUTGS-QGZVFWFLSA-N 0 0 321.332 3.092 1 0 DGAFRN CC(C)[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCCCN1C#N ZINC000040951321 183150558 /nfs/dbraw/zinc/15/05/58/183150558.db2.gz BKMARWROUWRNAF-HNNXBMFYSA-N 0 0 320.824 3.097 1 0 DGAFRN COc1ccc(N(C)c2nc(N(C)C)nc3ccccc32)cc1 ZINC000040956006 183151405 /nfs/dbraw/zinc/15/14/05/183151405.db2.gz VYMQTHKHFCOTBM-UHFFFAOYSA-N 0 0 308.385 3.472 1 0 DGAFRN COc1cccc([C@@H]2[C@H](OC)COCN2C2CCCCC2)c1 ZINC000040954695 183151449 /nfs/dbraw/zinc/15/14/49/183151449.db2.gz ARQXSQYUKZXWEE-QZTJIDSGSA-N 0 0 305.418 3.374 1 0 DGAFRN COc1ccc(OC)c(N(C)c2ncnc3ccsc32)c1 ZINC000040975873 183153545 /nfs/dbraw/zinc/15/35/45/183153545.db2.gz FDCCESUQILDHJQ-UHFFFAOYSA-N 0 0 301.371 3.476 1 0 DGAFRN O=S(=O)(Oc1ccccc1)c1ccc2[nH]c3ccncc3c2c1 ZINC000040980155 183154206 /nfs/dbraw/zinc/15/42/06/183154206.db2.gz UPODADASIZRZLM-UHFFFAOYSA-N 0 0 324.361 3.484 1 0 DGAFRN CNC1=Nc2ncccc2C(c2cc[nH]c2)=N[C@H]1c1cccs1 ZINC000040981214 183154337 /nfs/dbraw/zinc/15/43/37/183154337.db2.gz NNSLEHYATBPAJW-HNNXBMFYSA-N 0 0 321.409 3.313 1 0 DGAFRN Cn1cc(-c2nc(N)ncc2-c2cccc(N)c2)c2ccccc21 ZINC000043121257 183339269 /nfs/dbraw/zinc/33/92/69/183339269.db2.gz YXAORXPHJOQBAP-UHFFFAOYSA-N 0 0 315.380 3.467 1 0 DGAFRN Nc1ccc2c(c1)/C(=C\c1ccc(Br)o1)C(=O)N2 ZINC000045358887 183500992 /nfs/dbraw/zinc/50/09/92/183500992.db2.gz PSONXSDSWKUYET-UXBLZVDNSA-N 0 0 305.131 3.117 1 0 DGAFRN O=C1[C@H]2CCCN2[C@@H](c2cccnc2)N1c1ccc(Cl)cc1 ZINC000058047563 184070828 /nfs/dbraw/zinc/07/08/28/184070828.db2.gz UGGPGVHLNUJNLN-HZPDHXFCSA-N 0 0 313.788 3.245 3 0 DGAFRN c1ccc(-c2nc3ncnc(NCc4cccnc4)c3[nH]2)cc1 ZINC000058506332 184121181 /nfs/dbraw/zinc/12/11/81/184121181.db2.gz ALGKVFCOUVZFRB-UHFFFAOYSA-N 0 0 302.341 3.027 1 0 DGAFRN COC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(C)C)cc1)C(C)C ZINC000059874396 184141956 /nfs/dbraw/zinc/14/19/56/184141956.db2.gz AMQQUKVAROUQTN-YRYLYKBFSA-N 0 0 303.402 3.137 1 0 DGAFRN CCNC(=O)[C@]1(C)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000061903956 184193953 /nfs/dbraw/zinc/19/39/53/184193953.db2.gz CNNROTHQVNAKLM-HNNXBMFYSA-N 0 0 314.351 3.196 3 0 DGAFRN CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061905324 184194306 /nfs/dbraw/zinc/19/43/06/184194306.db2.gz NHSWMLLQPWCCAW-HXUWFJFHSA-N 0 0 324.424 3.218 3 0 DGAFRN COc1cc2cnc(CCO[C@H]3CCCCO3)cc2cc1OC ZINC000061969103 184198671 /nfs/dbraw/zinc/19/86/71/184198671.db2.gz VRPKFCQVKOZRRS-SFHVURJKSA-N 0 0 317.385 3.338 3 0 DGAFRN c1c2c3nnnn3cnc2n(-c2ccccc2)c1-c1ccccc1 ZINC000064403849 184296381 /nfs/dbraw/zinc/29/63/81/184296381.db2.gz NEPJFCDDNBFGDU-UHFFFAOYSA-N 0 0 312.336 3.130 1 0 DGAFRN Cc1ccccc1-c1ccc2ncnc(N3CCOCC3)c2c1 ZINC000004264746 134458983 /nfs/dbraw/zinc/45/89/83/134458983.db2.gz WNHINCBEZIFTDR-UHFFFAOYSA-N 0 0 305.381 3.442 1 0 DGAFRN COc1ccc2c(c1)CC[C@@H]1[C@H]3CC(=O)[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000169299299 286397389 /nfs/dbraw/zinc/39/73/89/286397389.db2.gz HYTUXCLDWATLGA-APWQULEDSA-N 0 0 300.398 3.091 1 0 DGAFRN O=C(Cn1c(=O)sc2ccccc21)NCCC1=CCCCC1 ZINC000002461511 431250690 /nfs/dbraw/zinc/25/06/90/431250690.db2.gz SWQVHBXZGKGGEY-UHFFFAOYSA-N 0 0 316.426 3.070 1 0 DGAFRN COc1cc(-c2nc3c(cc(C)cc3F)[nH]2)cc(OC)c1O ZINC000436946053 434180472 /nfs/dbraw/zinc/18/04/72/434180472.db2.gz CEKRWVGBABLMMH-UHFFFAOYSA-N 0 0 302.305 3.400 1 0 DGAFRN CC1(C)CC(=O)C[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O ZINC000038877929 560081760 /nfs/dbraw/zinc/08/17/60/560081760.db2.gz OWLAORDUGLXNBF-ILVZAAKISA-N 0 0 320.473 3.320 1 0 biogenic,in-vitro DGAFRN CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)NC2=O)cc1 ZINC000013370355 560215224 /nfs/dbraw/zinc/21/52/24/560215224.db2.gz AILGRWSIRAPLCJ-UHFFFAOYSA-N 0 0 313.397 3.488 1 0 biogenic,in-vitro DGAFRN c1[nH]nc2ccc(N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc12 ZINC000028640085 581092363 /nfs/dbraw/zinc/09/23/63/581092363.db2.gz BKQFBAILJJESBH-KRWDZBQOSA-N 0 0 307.401 3.034 1 0 DGAFRN O=c1cc(CN2CCN(c3ccccc3)CC2)c2ccccc2o1 ZINC000095566835 185380243 /nfs/dbraw/zinc/38/02/43/185380243.db2.gz KNFZZYFSFORCJD-UHFFFAOYSA-N 0 0 320.392 3.115 3 0 DGAFRN [O-][n+]1onc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21 ZINC000095579667 185380727 /nfs/dbraw/zinc/38/07/27/185380727.db2.gz BXAVJBKILSQLSH-UHFFFAOYSA-N 0 0 310.231 3.059 1 0 DGAFRN COc1cc2[nH]c(C(=O)NC3CCCCCCC3)cc2cn1 ZINC000095602881 185382297 /nfs/dbraw/zinc/38/22/97/185382297.db2.gz RLAXZEASNUBDGC-UHFFFAOYSA-N 0 0 301.390 3.414 1 0 DGAFRN Fc1cccc(Cc2nnc3sc(-c4ccoc4)nn23)c1 ZINC000096904280 185390821 /nfs/dbraw/zinc/39/08/21/185390821.db2.gz FOOHHCUOYWOPNH-UHFFFAOYSA-N 0 0 300.318 3.176 1 0 DGAFRN CC(=O)OCCCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910579 185390914 /nfs/dbraw/zinc/39/09/14/185390914.db2.gz BEMFAESGNZMDAI-KRWDZBQOSA-N 0 0 323.820 3.221 1 0 DGAFRN O=C(Nc1cccc(-c2nc3cccnc3[nH]2)c1)c1ccco1 ZINC000096914409 185391248 /nfs/dbraw/zinc/39/12/48/185391248.db2.gz RVOBTPAQKXRAJE-UHFFFAOYSA-N 0 0 304.309 3.470 1 0 DGAFRN COc1cc([C@@H]2CCc3cc(O)c(OC)cc3O2)ccc1O ZINC000096921295 185391708 /nfs/dbraw/zinc/39/17/08/185391708.db2.gz JKEOWRFBUPMWAZ-AWEZNQCLSA-N 0 0 302.326 3.181 1 0 DGAFRN COC(=O)[C@H](NC(=O)[C@H](C)c1ccc(CC(C)C)cc1)C(C)C ZINC000103206474 432005412 /nfs/dbraw/zinc/00/54/12/432005412.db2.gz IIHNAGJKVGRYPC-RHSMWYFYSA-N 0 0 319.445 3.302 1 0 DGAFRN Cc1nsc(NC(=O)c2cccc(Oc3cccnc3)c2)n1 ZINC000096939164 185393115 /nfs/dbraw/zinc/39/31/15/185393115.db2.gz FWHADSJPIUEPFQ-UHFFFAOYSA-N 0 0 312.354 3.286 1 0 DGAFRN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C ZINC000166974355 197702264 /nfs/dbraw/zinc/70/22/64/197702264.db2.gz VJETXRIBTFXKJF-XJIZNKBASA-N 0 0 304.430 3.463 1 0 DGAFRN Cc1ccc(NC(=O)CNC(=O)c2cc3ccccc3o2)cc1 ZINC000005013269 190620549 /nfs/dbraw/zinc/62/05/49/190620549.db2.gz WSWRCOFGCSEKEH-UHFFFAOYSA-N 0 0 308.337 3.110 1 0 DGAFRN CCN(CC)Cc1cn(-c2ccnc3cc(Cl)ccc32)nn1 ZINC000103270080 185443124 /nfs/dbraw/zinc/44/31/24/185443124.db2.gz FFLSWNZSXFSCIT-UHFFFAOYSA-N 0 0 315.808 3.311 1 0 DGAFRN CCS(=O)(=O)c1ccc2c(c1)nc(CC1CC1)n2CC1CC1 ZINC000072109232 191037779 /nfs/dbraw/zinc/03/77/79/191037779.db2.gz FKFONRGSNLDMSX-UHFFFAOYSA-N 0 0 318.442 3.192 1 0 DGAFRN COc1cccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1 ZINC000072119003 191039587 /nfs/dbraw/zinc/03/95/87/191039587.db2.gz WRYNCMUTWXJCLJ-UHFFFAOYSA-N 0 0 313.386 3.169 1 0 DGAFRN CCOC(=O)c1nn(C(=O)c2cccc(F)c2)c2ccccc21 ZINC000072176040 191070877 /nfs/dbraw/zinc/07/08/77/191070877.db2.gz RUHNRRUVLSNTIX-UHFFFAOYSA-N 0 0 312.300 3.041 1 0 DGAFRN COc1nc2sccn2c1/C=C1\C(=O)Nc2ccc(F)cc21 ZINC000084709415 192459647 /nfs/dbraw/zinc/45/96/47/192459647.db2.gz RNAKNVURMAGYDR-YFHOEESVSA-N 0 0 315.329 3.036 1 0 DGAFRN O=C1N2c3c(cccc3CCc3ccccc32)[C@]1(O)C(F)(F)F ZINC000003103091 180981251 /nfs/dbraw/zinc/98/12/51/180981251.db2.gz NLNATMYORVUROW-MRXNPFEDSA-N 0 0 319.282 3.213 3 0 DGAFRN Cc1ccc([C@@H]2SCC(=O)N2Cc2cn3ccsc3n2)o1 ZINC000003305802 181003011 /nfs/dbraw/zinc/00/30/11/181003011.db2.gz UNLPAAJGKUTHGD-ZDUSSCGKSA-N 0 0 319.411 3.071 3 0 DGAFRN COc1ccc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2n1 ZINC000073169602 191288030 /nfs/dbraw/zinc/28/80/30/191288030.db2.gz VAYNYSLGOOSRMO-UHFFFAOYSA-N 0 0 319.368 3.273 1 0 in-vitro DGAFRN COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@]1(C)c1ccccc1 ZINC000073167274 191287804 /nfs/dbraw/zinc/28/78/04/191287804.db2.gz MVFDAGHVAFZJTD-UXHICEINSA-N 0 0 324.376 3.251 1 0 DGAFRN COc1c(C)c(O)c(C=O)c2c1[C@@H](O)C[C@H](c1ccccc1)O2 ZINC000003581762 181037432 /nfs/dbraw/zinc/03/74/32/181037432.db2.gz DAAVAQORZATFQC-UONOGXRCSA-N 0 0 314.337 3.079 1 0 biogenic,in-vitro DGAFRN COCCNc1nc(-c2ccccc2OC)nc2ccccc21 ZINC000004239206 181086850 /nfs/dbraw/zinc/08/68/50/181086850.db2.gz ODINVBCGRAXGSS-UHFFFAOYSA-N 0 0 309.369 3.364 1 0 DGAFRN COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)COC2=O ZINC000073224061 191295939 /nfs/dbraw/zinc/29/59/39/191295939.db2.gz BLYKYPVFJPCZQN-RMKNXTFCSA-N 0 0 309.321 3.018 1 0 DGAFRN c1ccc(CCNc2ccc3nnn(-c4ccccc4)c3n2)cc1 ZINC000073280677 191299790 /nfs/dbraw/zinc/29/97/90/191299790.db2.gz DPDORAORSNMLQK-UHFFFAOYSA-N 0 0 315.380 3.470 1 0 DGAFRN CCOC(=O)[C@H]1Nc2ccc(OC)cc2[C@H]2c3ccccc3C[C@H]21 ZINC000005499727 181250044 /nfs/dbraw/zinc/25/00/44/181250044.db2.gz AAHKFWHWVBZUCP-QRQLOZEOSA-N 0 0 323.392 3.357 1 0 DGAFRN OCCn1c(/C=C/c2nc3ccccc3[nH]2)nc2ccccc21 ZINC000005422099 181242484 /nfs/dbraw/zinc/24/24/84/181242484.db2.gz ZZQQXWDSSMQERZ-MDZDMXLPSA-N 0 0 304.353 3.075 1 0 DGAFRN CCc1cc(NCc2nc3c(o2)c(F)ccc3F)c(=O)[nH]c1C ZINC000005887344 181292801 /nfs/dbraw/zinc/29/28/01/181292801.db2.gz IZCCLPQZOODGAE-UHFFFAOYSA-N 0 0 319.311 3.277 1 0 DGAFRN CCc1cc(NCc2nc3c(cccc3OC)o2)c(=O)[nH]c1C ZINC000005887383 181292850 /nfs/dbraw/zinc/29/28/50/181292850.db2.gz JHOYPXHAYKICQN-UHFFFAOYSA-N 0 0 313.357 3.008 1 0 DGAFRN CCc1cc(CCc2nc3cccc(F)c3o2)c(=O)[nH]c1C ZINC000005887071 181292990 /nfs/dbraw/zinc/29/29/90/181292990.db2.gz SKROTKCZEQBLNS-UHFFFAOYSA-N 0 0 300.333 3.311 1 0 DGAFRN COc1ccc(C[C@H](c2ccc(OC)cc2)n2cnnc2)cc1 ZINC000006484339 181344439 /nfs/dbraw/zinc/34/44/39/181344439.db2.gz RMFDMGBMZJKWDG-GOSISDBHSA-N 0 0 309.369 3.127 1 0 DGAFRN NC(=O)c1[nH]c2ccc(Cl)cc2c1[S@](=O)c1ccccc1 ZINC000006582375 181357150 /nfs/dbraw/zinc/35/71/50/181357150.db2.gz KFQBSPAPUUVFBQ-NRFANRHFSA-N 0 0 318.785 3.087 1 0 DGAFRN CC[C@H](C(=O)N1CCCC1)n1c(C(=O)OC)cc2sccc21 ZINC000006820738 181394992 /nfs/dbraw/zinc/39/49/92/181394992.db2.gz SEMFANVEJZSMPU-LLVKDONJSA-N 0 0 320.414 3.063 1 0 DGAFRN COC(=O)Cc1cccc2c(=O)cc(-c3ccccc3F)[nH]c12 ZINC000013537676 181860067 /nfs/dbraw/zinc/86/00/67/181860067.db2.gz HOYCFBIPTWTAHB-UHFFFAOYSA-N 0 0 311.312 3.050 1 0 DGAFRN CCn1cc(CNc2nncc(-c3cc4ccccc4o3)n2)cn1 ZINC000014956428 181977630 /nfs/dbraw/zinc/97/76/30/181977630.db2.gz ZOBVIAYBUVATTQ-UHFFFAOYSA-N 0 0 320.356 3.113 1 0 DGAFRN CCCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O ZINC000014959875 181978436 /nfs/dbraw/zinc/97/84/36/181978436.db2.gz GIEMXJAFCBYVBF-UHFFFAOYSA-N 0 0 305.765 3.122 1 0 DGAFRN CC(=O)O[C@@H]1c2ccccc2C[C@]2(OC(C)=O)c3ccccc3[C@@H]12 ZINC000016923994 182064438 /nfs/dbraw/zinc/06/44/38/182064438.db2.gz QILKONMDKUVPBN-ZCNNSNEGSA-N 0 0 322.360 3.403 1 0 DGAFRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@]43C)[C@@H]1CC[C@@H]2O ZINC000016953263 182066101 /nfs/dbraw/zinc/06/61/01/182066101.db2.gz UJPILRQDXJVBHX-SCVNYCPESA-N 0 0 303.446 3.036 1 0 DGAFRN O[C@@]12c3ccccc3[C@H]1[C@@H]1[C@@H](CCC13OCCO3)c1ccccc12 ZINC000017220292 182080053 /nfs/dbraw/zinc/08/00/53/182080053.db2.gz ZXAGLSDEXKRMRM-KKTRPPJXSA-N 0 0 320.388 3.270 1 0 DGAFRN CC(C)n1nc(-c2ccc3ncccc3c2)c2c1ncnc2N ZINC000020148983 182192129 /nfs/dbraw/zinc/19/21/29/182192129.db2.gz GEZALMMCQYDFML-UHFFFAOYSA-N 0 0 304.357 3.205 1 0 in-vivo DGAFRN CCCN(CCC)C(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 ZINC000026022128 182428485 /nfs/dbraw/zinc/42/84/85/182428485.db2.gz XCYWQOPGAQKSPW-UHFFFAOYSA-N 0 0 318.377 3.003 1 0 DGAFRN CCn1cnc2c1nc(Cl)nc2NCCc1ccccc1 ZINC000026580022 182447477 /nfs/dbraw/zinc/44/74/77/182447477.db2.gz ZLRXCVQMIAUVKF-UHFFFAOYSA-N 0 0 301.781 3.154 1 0 DGAFRN CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)N1CC1)c1ccc(O)cc1 ZINC000027978887 182501488 /nfs/dbraw/zinc/50/14/88/182501488.db2.gz YRQQSJMORUEEQK-MSOLQXFVSA-N 0 0 311.381 3.217 1 0 DGAFRN O=C(NC1CCCCC1)C1c2nc3ccccc3n2CCC1=O ZINC000100024913 193793026 /nfs/dbraw/zinc/79/30/26/193793026.db2.gz XAXOENSLFWVWCC-UHFFFAOYSA-N 0 0 311.385 3.158 1 0 DGAFRN CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@H]1c1ccccc1 ZINC000028951537 182546254 /nfs/dbraw/zinc/54/62/54/182546254.db2.gz ADYNHNURDOHRNB-DOTOQJQBSA-N 0 0 310.328 3.136 1 0 DGAFRN CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O ZINC000029480497 182567222 /nfs/dbraw/zinc/56/72/22/182567222.db2.gz GEYVFPSDEOHGFI-UHFFFAOYSA-N 0 0 322.401 3.382 1 0 DGAFRN O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2)OCO3 ZINC000101501237 193815108 /nfs/dbraw/zinc/81/51/08/193815108.db2.gz QARNBPDCTIHPIV-INIZCTEOSA-N 0 0 307.305 3.433 1 0 DGAFRN CC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc2c[nH]nc2c1 ZINC000101690201 193835357 /nfs/dbraw/zinc/83/53/57/193835357.db2.gz QFMBWTHKAIYHLD-GIDUJCDVSA-N 0 0 318.336 3.014 1 0 DGAFRN COC(=O)c1ccc(CN2c3ccccc3C(N=O)C2=O)o1 ZINC000101726895 193838347 /nfs/dbraw/zinc/83/83/47/193838347.db2.gz FDIJDZRTSVQRSL-UHFFFAOYSA-N 0 0 300.270 3.173 1 0 DGAFRN COc1ccc(C2=C(c3ccncc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040411913 183063025 /nfs/dbraw/zinc/06/30/25/183063025.db2.gz YTLSMXCJURVXHG-INIZCTEOSA-N 0 0 320.392 3.396 1 0 DGAFRN CC(C)[C@H](Nc1cccc(Cl)c1)C(=O)N1CCCCN1C#N ZINC000040421939 183064628 /nfs/dbraw/zinc/06/46/28/183064628.db2.gz UJHQYDKTGZAAFX-HNNXBMFYSA-N 0 0 320.824 3.097 1 0 DGAFRN CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]43O2 ZINC000040472025 183073601 /nfs/dbraw/zinc/07/36/01/183073601.db2.gz KJVXXRSBNUNPRS-WNIVTNPTSA-N 0 0 324.417 3.014 1 0 DGAFRN O=C(NCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1 ZINC000040846757 183140797 /nfs/dbraw/zinc/14/07/97/183140797.db2.gz MAHDYMLFMJRXOZ-UHFFFAOYSA-N 0 0 313.300 3.423 1 0 DGAFRN COc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1CC1=CC1 ZINC000040848314 183141374 /nfs/dbraw/zinc/14/13/74/183141374.db2.gz TXCJPPYDNSTWJK-UHFFFAOYSA-N 0 0 319.364 3.150 1 0 DGAFRN Cc1ccc(CNC(=O)c2ccc3ccc(C)nc3c2O)cc1 ZINC000040894389 183147100 /nfs/dbraw/zinc/14/71/00/183147100.db2.gz VJTZEUDIRPJEHU-UHFFFAOYSA-N 0 0 306.365 3.487 1 0 DGAFRN CCOC(=O)c1c(=O)[nH]c(C)c(CC)c1O[C@@H]1CCC[C@H](C)C1 ZINC000040974284 183153842 /nfs/dbraw/zinc/15/38/42/183153842.db2.gz VXFNVWORKGQBMR-WCQYABFASA-N 0 0 321.417 3.380 1 0 DGAFRN CCOC(=O)c1c(=O)[nH]c(C)c(CC)c1O[C@H]1CCC[C@@H](C)C1 ZINC000040974290 183153979 /nfs/dbraw/zinc/15/39/79/183153979.db2.gz VXFNVWORKGQBMR-YPMHNXCESA-N 0 0 321.417 3.380 1 0 DGAFRN CN1C(=O)/C(=C/c2ccccc2)N(CCc2ccccc2)C1=O ZINC000043070912 183334399 /nfs/dbraw/zinc/33/43/99/183334399.db2.gz XPCHLTHLDAMEOU-VKAVYKQESA-N 0 0 306.365 3.164 1 0 DGAFRN CC(=O)c1ccc(-c2nc(-c3ccc(O)cc3)cnc2N)cc1 ZINC000043077501 183334578 /nfs/dbraw/zinc/33/45/78/183334578.db2.gz QRERMBFDQRMTHO-UHFFFAOYSA-N 0 0 305.337 3.301 1 0 DGAFRN O=C1[C@H]2CCCN2[C@H](c2cccc(F)c2)N1c1ccc(F)cc1 ZINC000057011178 184024268 /nfs/dbraw/zinc/02/42/68/184024268.db2.gz SDYRJYVEXZTYMO-SJORKVTESA-N 0 0 314.335 3.475 1 0 DGAFRN O=C1[C@H]2CCCN2[C@@H](c2ccccc2F)N1c1ccc(F)cc1 ZINC000058047395 184070764 /nfs/dbraw/zinc/07/07/64/184070764.db2.gz QVCGITUFJPEAIL-IAGOWNOFSA-N 0 0 314.335 3.475 3 0 DGAFRN CC1(C)COc2cc(O)c(C(=O)N3Cc4ccccc4C3)cc21 ZINC000058581148 184123580 /nfs/dbraw/zinc/12/35/80/184123580.db2.gz JWGMTUMWXOAWGS-UHFFFAOYSA-N 0 0 309.365 3.218 1 0 DGAFRN CNc1cc2c(ccc1=O)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 ZINC000059199143 184135870 /nfs/dbraw/zinc/13/58/70/184135870.db2.gz TVJLLBQTKAGSCH-ZGMAETJZSA-N 0 0 313.441 3.306 1 0 DGAFRN COc1ccc([C@](C)(O)c2nc(-c3ccncc3)cs2)cc1 ZINC000061903503 184193662 /nfs/dbraw/zinc/19/36/62/184193662.db2.gz VLUUGQIMIBGOPE-KRWDZBQOSA-N 0 0 312.394 3.470 3 0 DGAFRN CNc1nc2ccsc2c(NCCOc2ccccc2)n1 ZINC000061903789 184193976 /nfs/dbraw/zinc/19/39/76/184193976.db2.gz NKHGRPGQJFWXHK-UHFFFAOYSA-N 0 0 300.387 3.224 3 0 DGAFRN CCOC(=O)[C@]1(C)CCCN1C(=O)c1cccc2ccccc21 ZINC000061927062 184196209 /nfs/dbraw/zinc/19/62/09/184196209.db2.gz JJDIJAURSLBZMH-IBGZPJMESA-N 0 0 311.381 3.398 3 0 DGAFRN C[C@H]1CN([S@@](=O)C(C)(C)C)[C@H](CCO)/C1=C\c1ccccc1 ZINC000061943282 184197755 /nfs/dbraw/zinc/19/77/55/184197755.db2.gz UDSDLWCITKWWHE-GYFYAORRSA-N 0 0 321.486 3.235 3 0 DGAFRN CCc1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 ZINC000064573000 184300289 /nfs/dbraw/zinc/30/02/89/184300289.db2.gz KKTVLIWTEZQTFO-UHFFFAOYSA-N 0 0 301.729 3.160 1 0 DGAFRN CC(=O)Nc1ccc2cc([C@@](O)(c3c[nH]cn3)C(C)C)ccc2c1 ZINC000066097433 184388704 /nfs/dbraw/zinc/38/87/04/184388704.db2.gz AXNQQSNSHKSLDU-LJQANCHMSA-N 0 0 323.396 3.413 1 0 DGAFRN CCOC(=O)C=Cc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1 ZINC000066258567 184399477 /nfs/dbraw/zinc/39/94/77/184399477.db2.gz XXXLIPKNFVQETG-SOFGYWHQSA-N 0 0 320.348 3.166 1 0 DGAFRN C[C@@H]1CCc2nc3ncn(Cc4cccc(F)c4)c(=O)c3cc2C1 ZINC000008610618 278625436 /nfs/dbraw/zinc/62/54/36/278625436.db2.gz GFKSTLKHHREPOY-GFCCVEGCSA-N 0 0 323.371 3.104 1 0 DGAFRN COc1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1 ZINC000014706182 431596296 /nfs/dbraw/zinc/59/62/96/431596296.db2.gz ZBDHHWFAYKZTNI-UHFFFAOYSA-N 0 0 300.745 3.107 1 0 DGAFRN CCO[C@H](c1cc(OC)ccc1OC(=O)[C@H](C)CC)[C@@H](C)O ZINC000033831093 560088525 /nfs/dbraw/zinc/08/85/25/560088525.db2.gz QRJCBTSDRZWJLS-HSMVNMDESA-N 0 0 310.390 3.105 1 0 biogenic,in-vitro DGAFRN C[C@]12C=C[C@@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)C(=O)C[C@@]1(C)[C@@H]3C[C@@H]2O ZINC000100780567 571833754 /nfs/dbraw/zinc/83/37/54/571833754.db2.gz RFHATUKAQMWSEN-LLCOKINKSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN Fc1ccccc1CSc1nnc(-c2cnccn2)s1 ZINC000095575623 185380630 /nfs/dbraw/zinc/38/06/30/185380630.db2.gz CHLCMYITEBQSHP-UHFFFAOYSA-N 0 0 304.375 3.427 1 0 DGAFRN CCOC(=O)CCN[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000096910580 185390961 /nfs/dbraw/zinc/39/09/61/185390961.db2.gz OSYLIDUZSLQOIW-KRWDZBQOSA-N 0 0 323.820 3.221 1 0 DGAFRN O=C(NCc1ccc(Cl)cc1Cl)c1cnc(Cl)cn1 ZINC000096908557 185390978 /nfs/dbraw/zinc/39/09/78/185390978.db2.gz RZRSAIBOIJPRAG-UHFFFAOYSA-N 0 0 316.575 3.367 1 0 DGAFRN Oc1ccc(CC[C@H]2C[C@H](O)C[C@@H](c3ccc(O)cc3)O2)cc1 ZINC000096908760 185391089 /nfs/dbraw/zinc/39/10/89/185391089.db2.gz MRIKNBIACKXKEJ-FHWLQOOXSA-N 0 0 314.381 3.312 1 0 DGAFRN Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2n2cncn2)cc1 ZINC000096916644 185391433 /nfs/dbraw/zinc/39/14/33/185391433.db2.gz ZLLGBBQYFBIHSY-AEFFLSMTSA-N 0 0 305.337 3.144 1 0 DGAFRN COc1ccc(Cc2ccncc2)c2cc(C(F)(F)F)nn21 ZINC000096933414 185392536 /nfs/dbraw/zinc/39/25/36/185392536.db2.gz ORKNNDSKZFUCDF-UHFFFAOYSA-N 0 0 307.275 3.348 1 0 DGAFRN COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2O)cc1O ZINC000082149911 192362076 /nfs/dbraw/zinc/36/20/76/192362076.db2.gz LPUSVRDYGBOTGN-UHFFFAOYSA-N 0 0 312.321 3.497 1 0 DGAFRN O=c1[nH]c2cccnc2n1-c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000169316579 197740035 /nfs/dbraw/zinc/74/00/35/197740035.db2.gz QLXXDQGUMZZTMW-UHFFFAOYSA-N 0 0 323.352 3.145 1 0 DGAFRN Cc1ccc2c(c1)n1nc(-c3cccc(F)c3)cc1n(C)c2=O ZINC000169350935 197745118 /nfs/dbraw/zinc/74/51/18/197745118.db2.gz VLDXRHJNJNUMFF-UHFFFAOYSA-N 0 0 307.328 3.301 1 0 DGAFRN COc1ccc(/C=C/C(=O)Nc2cccc(N(C)C)c2)cc1O ZINC000169353192 197745560 /nfs/dbraw/zinc/74/55/60/197745560.db2.gz VLFJSODWWVPDBG-CSKARUKUSA-N 0 0 312.369 3.119 1 0 DGAFRN CCCCCn1ncc2c1nc(C)c(C(=O)OCC(C)C)c2N ZINC000026573815 190652994 /nfs/dbraw/zinc/65/29/94/190652994.db2.gz XHQQOWRSYMURNZ-UHFFFAOYSA-N 0 0 318.421 3.325 1 0 DGAFRN CCOC(=O)c1nc2c(ncnc2Cl)n1[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000072109878 191037988 /nfs/dbraw/zinc/03/79/88/191037988.db2.gz SVQZIOLOIDQDBU-IVZWLZJFSA-N 0 0 320.780 3.018 1 0 DGAFRN CC(C)OC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12 ZINC000072178096 191070299 /nfs/dbraw/zinc/07/02/99/191070299.db2.gz VONSUXJHJHRFEQ-UHFFFAOYSA-N 0 0 314.366 3.352 1 0 DGAFRN CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc21 ZINC000072177802 191071394 /nfs/dbraw/zinc/07/13/94/191071394.db2.gz BFXKVILQLORGGZ-UHFFFAOYSA-N 0 0 308.337 3.210 1 0 DGAFRN CCOC(=O)c1nn(C(=O)c2ccc(F)cc2)c2ccccc21 ZINC000072177987 191071499 /nfs/dbraw/zinc/07/14/99/191071499.db2.gz OWZJKIDFTAVZEF-UHFFFAOYSA-N 0 0 312.300 3.041 1 0 DGAFRN CCCCc1ccc(-c2nc(CN3CCN(C)CC3)co2)cc1 ZINC000072182452 191071857 /nfs/dbraw/zinc/07/18/57/191071857.db2.gz SKUPSEUCRGVKMZ-UHFFFAOYSA-N 0 0 313.445 3.432 1 0 DGAFRN CN1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072184658 191072185 /nfs/dbraw/zinc/07/21/85/191072185.db2.gz XSAIKQKFVHPUQC-QGZVFWFLSA-N 0 0 301.821 3.072 1 0 DGAFRN O=C(NCCc1c[nH]c2ccccc12)C1=Cc2ccncc2CC1 ZINC000000024247 180670575 /nfs/dbraw/zinc/67/05/75/180670575.db2.gz VKDGEOWFMYORCE-UHFFFAOYSA-N 0 0 317.392 3.251 1 0 DGAFRN COc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3nnnc3N2)cc1 ZINC000000222882 180731108 /nfs/dbraw/zinc/73/11/08/180731108.db2.gz LXWOLAIYGVWGJW-IRXDYDNUSA-N 0 0 321.384 3.136 1 0 DGAFRN COC(=O)CNc1nc(-c2ccccc2F)nc2ccccc21 ZINC000000223272 180731870 /nfs/dbraw/zinc/73/18/70/180731870.db2.gz YJEQJYIRFMMFLI-UHFFFAOYSA-N 0 0 311.316 3.021 3 0 DGAFRN CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C ZINC000003290371 181000905 /nfs/dbraw/zinc/00/09/05/181000905.db2.gz NYDZGIOOYQHNDG-UHFFFAOYSA-N 0 0 307.353 3.419 3 0 DGAFRN CCOP(=O)(OCC)OCc1cccc(OC(C)=O)c1 ZINC000073169912 191287908 /nfs/dbraw/zinc/28/79/08/191287908.db2.gz MSWXWTRTBVYCMH-UHFFFAOYSA-N 0 0 302.263 3.310 1 0 DGAFRN CSc1ccccc1[C@H]1N=C(SC)NC2=C1C(=O)OC2 ZINC000003806663 181046388 /nfs/dbraw/zinc/04/63/88/181046388.db2.gz ONVJXUVWINSWQU-GFCCVEGCSA-N 0 0 306.412 3.423 1 0 DGAFRN C=Cc1c(C)ccc2c1C(=O)[C@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@]21C ZINC000073273514 191299229 /nfs/dbraw/zinc/29/92/29/191299229.db2.gz XKZQNOQYKJKHNV-FBVAEJEDSA-N 0 0 314.425 3.250 1 0 DGAFRN CCCN1Cc2cccc(C(=O)NC3CCCCC3)c2C1=O ZINC000005005840 181188947 /nfs/dbraw/zinc/18/89/47/181188947.db2.gz YZSZSKKYPZHECZ-UHFFFAOYSA-N 0 0 300.402 3.115 1 0 DGAFRN CCCN(CCC)C(=O)C1=C(C)C(=O)OC12CCC(C)CC2 ZINC000005058805 181198603 /nfs/dbraw/zinc/19/86/03/181198603.db2.gz GALBUIKTPCWLPT-UHFFFAOYSA-N 0 0 307.434 3.457 1 0 DGAFRN c1cc2cc3c(cc2c(Cc2ccc4c(c2)OCO4)n1)OCO3 ZINC000005162059 181212059 /nfs/dbraw/zinc/21/20/59/181212059.db2.gz LLMXWLQPZZHFKK-UHFFFAOYSA-N 0 0 307.305 3.283 1 0 DGAFRN C[C@]([NH3+])(C(=O)[O-])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000005445202 181244480 /nfs/dbraw/zinc/24/44/80/181244480.db2.gz HUBAYVPKJQJYSB-MRXNPFEDSA-N 0 0 305.761 3.178 3 0 DGAFRN O=c1c2nc[nH]c2n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000005543026 181255437 /nfs/dbraw/zinc/25/54/37/181255437.db2.gz OUGRPLAQITWHLG-UHFFFAOYSA-N 0 0 320.377 3.234 1 0 DGAFRN c1ccc2c(c1)nnn2CNc1ccc(N2CCCCC2)cc1 ZINC000005647476 181267717 /nfs/dbraw/zinc/26/77/17/181267717.db2.gz FEJWFJLDFCOIKG-UHFFFAOYSA-N 0 0 307.401 3.491 1 0 DGAFRN CCc1cc(NCc2nc3cccc(F)c3o2)c(=O)[nH]c1C ZINC000005887426 181292884 /nfs/dbraw/zinc/29/28/84/181292884.db2.gz DOGNELXFBMTNQV-UHFFFAOYSA-N 0 0 301.321 3.138 1 0 DGAFRN Cc1cc(C)c2c(c1)CO[C@H]([C@@H](O)CO)[C@H]2/C=C\c1ccccc1 ZINC000195392361 201386533 /nfs/dbraw/zinc/38/65/33/201386533.db2.gz FHRXQABKTKQZJZ-SGZWPXLWSA-N 0 0 324.420 3.352 1 0 DGAFRN CC[C@@H](C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000006531130 181350534 /nfs/dbraw/zinc/35/05/34/181350534.db2.gz XVPBLANCKAPBTR-LLVKDONJSA-N 0 0 314.414 3.308 1 0 DGAFRN Cc1nnc2c(Nc3ccc4c(c3)OCO4)nc3ccccc3n12 ZINC000006786130 181388442 /nfs/dbraw/zinc/38/84/42/181388442.db2.gz BUSVXURIGFORHK-UHFFFAOYSA-N 0 0 319.324 3.058 1 0 DGAFRN CCCCOc1c2c[nH]nc2ncc1C(=O)c1cccs1 ZINC000013535762 181859124 /nfs/dbraw/zinc/85/91/24/181859124.db2.gz OJKVXMJPYGVMGB-UHFFFAOYSA-N 0 0 301.371 3.429 1 0 DGAFRN CC(C)[C@@H]1CS[C@@H]2N1C(=O)[C@@]2(OCc1ccccc1)C1CC1 ZINC000017223698 182080443 /nfs/dbraw/zinc/08/04/43/182080443.db2.gz PVAYOPQURUHFJD-SZMVWBNQSA-N 0 0 317.454 3.292 1 0 DGAFRN CCCCCn1ncc2c1nc(C)c(C(=O)OC(C)C)c2N ZINC000026575504 182446614 /nfs/dbraw/zinc/44/66/14/182446614.db2.gz YBWVWTQZZOFOIK-UHFFFAOYSA-N 0 0 304.394 3.077 1 0 DGAFRN C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC000027102964 182462348 /nfs/dbraw/zinc/46/23/48/182462348.db2.gz PBTHCEOAWZJTPO-UKRRQHHQSA-N 0 0 323.400 3.178 1 0 DGAFRN O[C@H](c1ccccc1)[C@H](Cc1ccc(Cl)cc1)n1cncn1 ZINC000027428858 182472370 /nfs/dbraw/zinc/47/23/70/182472370.db2.gz WFAJHOKTSHWAJY-DLBZAZTESA-N 0 0 313.788 3.449 1 0 DGAFRN O=C(Nc1nccs1)c1ncsc1Cc1ccccc1 ZINC000028122830 182509642 /nfs/dbraw/zinc/50/96/42/182509642.db2.gz CIFOQDWSMDJQKT-UHFFFAOYSA-N 0 0 301.396 3.443 1 0 DGAFRN O=C(c1cccnc1)c1nc(C(F)(F)F)nc2ccsc21 ZINC000029050468 182549704 /nfs/dbraw/zinc/54/97/04/182549704.db2.gz KOTFBMKZWHLDEW-UHFFFAOYSA-N 0 0 309.272 3.336 1 0 DGAFRN CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12 ZINC000036188161 182808710 /nfs/dbraw/zinc/80/87/10/182808710.db2.gz NZWXLQGBITVFAR-UHFFFAOYSA-N 0 0 302.418 3.381 1 0 DGAFRN O=C1N=C(Nc2cccc(Cl)c2)NC1=Cc1cccc(F)c1 ZINC000101612195 193828240 /nfs/dbraw/zinc/82/82/40/193828240.db2.gz HMFLCWKQCSBJBV-ZSOIEALJSA-N 0 0 315.735 3.418 1 0 DGAFRN CCc1nc2cc(Cl)ccc2c(=O)n1-c1n[nH]c2ccccc21 ZINC000038541135 183002307 /nfs/dbraw/zinc/00/23/07/183002307.db2.gz JLAJQMFCDCBSOW-UHFFFAOYSA-N 0 0 324.771 3.478 1 0 DGAFRN Cc1ccc2c(c1)Nc1cscc1C(N1CCN(C)CC1)=N2 ZINC000039241378 183015771 /nfs/dbraw/zinc/01/57/71/183015771.db2.gz NNTSXNKBYBFZIL-UHFFFAOYSA-N 0 0 312.442 3.439 1 0 DGAFRN CNC(=O)c1cccc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 ZINC000040395829 183060797 /nfs/dbraw/zinc/06/07/97/183060797.db2.gz PIDATBLWKGYAEW-MRXNPFEDSA-N 0 0 317.392 3.250 1 0 DGAFRN COc1ccc(C2=C(c3ccncc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040411910 183062694 /nfs/dbraw/zinc/06/26/94/183062694.db2.gz YTLSMXCJURVXHG-MRXNPFEDSA-N 0 0 320.392 3.396 1 0 DGAFRN Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1 ZINC000040956273 183151629 /nfs/dbraw/zinc/15/16/29/183151629.db2.gz PDWRZBSKQUYRCV-UHFFFAOYSA-N 0 0 302.337 3.088 1 0 DGAFRN COCCSC(=S)SCC(=O)c1ccc(OC)cc1 ZINC000040977651 183154596 /nfs/dbraw/zinc/15/45/96/183154596.db2.gz RPRDDMFAESDZSN-UHFFFAOYSA-N 0 0 316.469 3.276 1 0 DGAFRN CCCCC[C@H]1OC(=O)c2ccc(OC)cc2[C@H]1OC(C)=O ZINC000042922326 183318476 /nfs/dbraw/zinc/31/84/76/183318476.db2.gz XFZDFYYRUDDKBS-HZPDHXFCSA-N 0 0 306.358 3.419 1 0 in-vitro DGAFRN Cc1ccc2c(c1)CCN2C(=O)C(=O)c1c[nH]c2ccccc12 ZINC000042923035 183319069 /nfs/dbraw/zinc/31/90/69/183319069.db2.gz QEOIYHQYAPCMQF-UHFFFAOYSA-N 0 0 304.349 3.248 1 0 DGAFRN COc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1OC ZINC000043062988 183333805 /nfs/dbraw/zinc/33/38/05/183333805.db2.gz NHMVZIGWJKGQDI-UHFFFAOYSA-N 0 0 321.336 3.272 1 0 DGAFRN Cc1nc2nc(N)nc(N)c2c(C)c1Cc1ccc(Cl)cc1 ZINC000045322576 183497205 /nfs/dbraw/zinc/49/72/05/183497205.db2.gz JLDNWYUJIJXORI-UHFFFAOYSA-N 0 0 313.792 3.050 1 0 DGAFRN O=C(Nc1cc(F)c(F)c(F)c1)C(=O)c1c[nH]c2ccccc12 ZINC000045254697 183491434 /nfs/dbraw/zinc/49/14/34/183491434.db2.gz NPOBYBSLNBDXOG-UHFFFAOYSA-N 0 0 318.254 3.407 1 0 DGAFRN Cc1c(-c2ccc(C(=O)C3CC3)cc2)nnn1-c1cccnc1 ZINC000045254701 183491587 /nfs/dbraw/zinc/49/15/87/183491587.db2.gz RYARMSANLFBQQB-UHFFFAOYSA-N 0 0 304.353 3.230 1 0 DGAFRN CNc1ncc(-c2cnn(C)c2)cc1-c1nc2ccccc2o1 ZINC000053229892 183893561 /nfs/dbraw/zinc/89/35/61/183893561.db2.gz VDIFDWJHTPHHAK-UHFFFAOYSA-N 0 0 305.341 3.332 1 0 DGAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccccc2)cc1 ZINC000057011006 184024225 /nfs/dbraw/zinc/02/42/25/184024225.db2.gz ZGQBTLULUDGFNF-MSOLQXFVSA-N 0 0 308.381 3.205 3 0 DGAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccs2)cc1 ZINC000058046287 184070851 /nfs/dbraw/zinc/07/08/51/184070851.db2.gz WSGCITCDIYWVOQ-ZBFHGGJFSA-N 0 0 314.410 3.267 3 0 DGAFRN COc1cccc(N(C)c2nc(N)nc3[nH]c4ccccc4c32)c1 ZINC000059184181 184135253 /nfs/dbraw/zinc/13/52/53/184135253.db2.gz PASNZHQENJBTJW-UHFFFAOYSA-N 0 0 319.368 3.470 1 0 DGAFRN CC(=O)Nc1cccc(-c2ccc([C@](C)(O)c3c[nH]cn3)cc2)c1 ZINC000059972606 184143159 /nfs/dbraw/zinc/14/31/59/184143159.db2.gz ZKDHBAXMHDLJPU-IBGZPJMESA-N 0 0 321.380 3.291 1 0 DGAFRN Cc1ccccc1NC(=O)Nc1nc([C@H]2CCC(=O)N2)cs1 ZINC000061903575 184193469 /nfs/dbraw/zinc/19/34/69/184193469.db2.gz JCELUELPQREIKW-LLVKDONJSA-N 0 0 316.386 3.047 3 0 DGAFRN CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000061906991 184194524 /nfs/dbraw/zinc/19/45/24/184194524.db2.gz BNJNQFFNYPIZFJ-SFHVURJKSA-N 0 0 302.418 3.281 3 0 DGAFRN [NH3+][C@H](c1csc([N-]c2ncccn2)n1)c1ccccc1Cl ZINC000061925761 184195654 /nfs/dbraw/zinc/19/56/54/184195654.db2.gz BHEWSDFXDCPMDH-LBPRGKRZSA-N 0 0 317.805 3.378 3 0 DGAFRN CC(C)Oc1cccc(NC(=O)[C@@]2(C)CCN2C(=O)C(C)C)c1 ZINC000061926700 184196142 /nfs/dbraw/zinc/19/61/42/184196142.db2.gz COKWNVWDAKZXBK-GOSISDBHSA-N 0 0 318.417 3.059 3 0 DGAFRN O=C1[C@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1ccncc1 ZINC000061943142 184197849 /nfs/dbraw/zinc/19/78/49/184197849.db2.gz PLNHRZMKFIOSER-QZTJIDSGSA-N 0 0 317.348 3.012 3 0 DGAFRN CCCNC(=O)c1cccc(-n2sc3ccccc3c2=O)c1 ZINC000064700255 184302886 /nfs/dbraw/zinc/30/28/86/184302886.db2.gz YAHLXLUBUKBICB-UHFFFAOYSA-N 0 0 312.394 3.192 1 0 DGAFRN COc1ccc([C@@H](C)NC(=O)Cc2ccccc2Cl)nc1 ZINC000066076823 184386881 /nfs/dbraw/zinc/38/68/81/184386881.db2.gz JTPIVXXXXREXOA-LLVKDONJSA-N 0 0 304.777 3.164 1 0 DGAFRN COc1cc(C(=S)NCc2ccc(C)cc2C)ccc1O ZINC000066139707 184392505 /nfs/dbraw/zinc/39/25/05/184392505.db2.gz YKAHRZBKDJJJCD-UHFFFAOYSA-N 0 0 301.411 3.483 1 0 DGAFRN CCOC(=O)c1cn(-c2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000585144212 400128892 /nfs/dbraw/zinc/12/88/92/400128892.db2.gz HQZFJGARQMOBMQ-UHFFFAOYSA-N 0 0 319.670 3.116 2 0 DGAFRN CO[C@@H]1/C=C(/C)Cc2occ(C)c2C(=O)[C@@H](OC(C)=O)[C@H](C)C1 ZINC000085677904 560066855 /nfs/dbraw/zinc/06/68/55/560066855.db2.gz DCFSJMWNJKXQCQ-CAOPSYQBSA-N 0 0 320.385 3.246 1 0 biogenic,in-vitro DGAFRN Cc1ccc(-c2n[nH]c3c2C(=O)c2c-3cccc2NC(N)=O)s1 ZINC000013492188 581091276 /nfs/dbraw/zinc/09/12/76/581091276.db2.gz BTHSNXFROGTTCQ-UHFFFAOYSA-N 0 0 324.365 3.149 1 0 DGAFRN C=C/C(C)=C\C[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2[C@H](O)[C@H](O)[C@@]1(C)O ZINC000100781046 571834634 /nfs/dbraw/zinc/83/46/34/571834634.db2.gz JEZOMVOAWYLQAJ-ARGAUQLISA-N 0 0 322.489 3.444 1 0 endogenous,in-man DGAFRN c1ncn(-c2ccc(Nc3nccc(-c4ccccc4)n3)cc2)n1 ZINC000045285746 581091969 /nfs/dbraw/zinc/09/19/69/581091969.db2.gz HTCYTPVYZPLGTO-UHFFFAOYSA-N 0 0 314.352 3.468 1 0 DGAFRN C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CCN1C ZINC000095552833 185379131 /nfs/dbraw/zinc/37/91/31/185379131.db2.gz IGHVFLGMYLDPDV-XLIONFOSSA-N 0 0 322.452 3.175 1 0 DGAFRN CCC(=O)NCc1cc(-c2ccc(Br)cc2)no1 ZINC000095554455 185379806 /nfs/dbraw/zinc/37/98/06/185379806.db2.gz JHBZSEFEGMYPTK-UHFFFAOYSA-N 0 0 309.163 3.130 1 0 DGAFRN COC(=O)C1=C(C)O[P@](=O)(OC)CC[C@@H]1c1ccccc1 ZINC000095579147 185380737 /nfs/dbraw/zinc/38/07/37/185380737.db2.gz OVUODHGSBZCOGS-LRTDBIEQSA-N 0 0 310.286 3.477 1 0 DGAFRN CN1CCN(C(=O)N2c3ccccc3Oc3ccccc32)CC1 ZINC000095579355 185380841 /nfs/dbraw/zinc/38/08/41/185380841.db2.gz HIPKRWSLXMATLQ-UHFFFAOYSA-N 0 0 309.369 3.298 1 0 DGAFRN c1csc(-c2nnc(CN3CCc4ccsc4C3)o2)c1 ZINC000095605575 185382571 /nfs/dbraw/zinc/38/25/71/185382571.db2.gz DDSTYPLKMYKMSF-UHFFFAOYSA-N 0 0 303.412 3.418 1 0 DGAFRN COc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000096908652 185390975 /nfs/dbraw/zinc/39/09/75/185390975.db2.gz NAVWKCWTWVEFGF-ZHACJKMWSA-N 0 0 307.346 3.247 1 0 DGAFRN COc1cc2c(cc1[C@H](C)N1CCOCC1)C=CC(C)(C)O2 ZINC000096932095 185392551 /nfs/dbraw/zinc/39/25/51/185392551.db2.gz BJWXLQKAIILLGS-ZDUSSCGKSA-N 0 0 303.402 3.273 1 0 DGAFRN O=C(Nc1nccs1)c1cc(F)cc(Oc2cncnc2)c1 ZINC000096939176 185393064 /nfs/dbraw/zinc/39/30/64/185393064.db2.gz JRBVPKPLAFJGPW-UHFFFAOYSA-N 0 0 316.317 3.117 1 0 DGAFRN O=c1nc2ccccn2cc1Cc1ccc(F)cc1C(F)(F)F ZINC000169331054 197742425 /nfs/dbraw/zinc/74/24/25/197742425.db2.gz HHFQAEIYIRDMAU-UHFFFAOYSA-N 0 0 322.261 3.443 1 0 DGAFRN O=c1nc2ccccn2cc1Cc1ccc(Br)cc1 ZINC000169331056 197742857 /nfs/dbraw/zinc/74/28/57/197742857.db2.gz DICZNDUAPBJQGM-UHFFFAOYSA-N 0 0 315.170 3.048 1 0 DGAFRN CCOc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC2)cc1 ZINC000072107845 191037485 /nfs/dbraw/zinc/03/74/85/191037485.db2.gz SZALVIJBUOXUFB-UHFFFAOYSA-N 0 0 323.400 3.041 1 0 DGAFRN CCCOC(=O)c1nn(C(=O)c2ccccc2)c2ccccc21 ZINC000072176363 191070575 /nfs/dbraw/zinc/07/05/75/191070575.db2.gz IYLKKSKLYOILNP-UHFFFAOYSA-N 0 0 308.337 3.292 1 0 DGAFRN O=Cc1nccn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072181928 191072175 /nfs/dbraw/zinc/07/21/75/191072175.db2.gz UQNJACBMUDLUOX-UHFFFAOYSA-N 0 0 321.258 3.418 1 0 DGAFRN CO[C@@H]1C[C@@H]2[C@H](/C=C/CCC[C@H](C)OC(=O)/C=C/[C@H]2OC)C1 ZINC000144199391 186034610 /nfs/dbraw/zinc/03/46/10/186034610.db2.gz CZMLPXRPYSQGTD-OSXQXZCSSA-N 0 0 308.418 3.271 1 0 DGAFRN CC(=O)c1cc2ncc(C(=O)N[C@@H](C)c3ccccc3)cc2[nH]1 ZINC000072322848 191121890 /nfs/dbraw/zinc/12/18/90/191121890.db2.gz KFZWSHQUKQAHRS-NSHDSACASA-N 0 0 307.353 3.257 2 0 DGAFRN CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1 ZINC000000195944 180722362 /nfs/dbraw/zinc/72/23/62/180722362.db2.gz XDYOENSWOAWNLC-UHFFFAOYSA-N 0 0 308.337 3.448 3 0 DGAFRN O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1ccco1 ZINC000001358146 180856898 /nfs/dbraw/zinc/85/68/98/180856898.db2.gz HVMIWSJUHYGFGO-UHFFFAOYSA-N 0 0 313.357 3.446 3 0 DGAFRN COC(=O)N1CC[C@@H]2CCC=C(c3cccc4c3OCO4)[C@@H]21 ZINC000001857414 180899327 /nfs/dbraw/zinc/89/93/27/180899327.db2.gz ANAQTFAXWHULDC-XHDPSFHLSA-N 0 0 301.342 3.049 1 0 DGAFRN COC(=O)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O ZINC000073196388 191290158 /nfs/dbraw/zinc/29/01/58/191290158.db2.gz HELJFDCFGPEQOH-UHFFFAOYSA-N 0 0 319.360 3.350 1 0 DGAFRN Cn1cccc1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000003955696 181058689 /nfs/dbraw/zinc/05/86/89/181058689.db2.gz YSGZNTAIOLDLSA-FQEVSTJZSA-N 0 0 323.440 3.158 1 0 DGAFRN Cc1nc2ccccc2c2oc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000004057714 181067291 /nfs/dbraw/zinc/06/72/91/181067291.db2.gz SMUCSSMRTZVOKZ-GFCCVEGCSA-N 0 0 310.353 3.198 3 0 DGAFRN Cc1c2c(cc(C)oc2=O)nn1-c1ccc(Br)cc1 ZINC000073258985 191296611 /nfs/dbraw/zinc/29/66/11/191296611.db2.gz RTIDATCDGQINJN-UHFFFAOYSA-N 0 0 319.158 3.358 1 0 DGAFRN Cc1cc(SCc2cccc(C(F)(F)F)c2)[nH]c(=O)n1 ZINC000004314762 181096595 /nfs/dbraw/zinc/09/65/95/181096595.db2.gz LOVSXYDUHBWFEB-UHFFFAOYSA-N 0 0 300.305 3.389 3 0 DGAFRN CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1 ZINC000004659796 181133581 /nfs/dbraw/zinc/13/35/81/181133581.db2.gz LRXLZOCNIMFHHU-UHFFFAOYSA-N 0 0 304.733 3.164 3 0 DGAFRN C/C=C1\CN2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1C(=O)OC ZINC000073355736 191308995 /nfs/dbraw/zinc/30/89/95/191308995.db2.gz MRTUFEKUTABFFB-HMSRCADYSA-N 0 0 310.397 3.206 1 0 DGAFRN COc1cccc(-c2cc(-c3ccc(OC)cc3O)nc(N)n2)c1 ZINC000073385842 191310973 /nfs/dbraw/zinc/31/09/73/191310973.db2.gz LMMXGAWEJRKTLR-UHFFFAOYSA-N 0 0 323.352 3.116 1 0 DGAFRN CC1=C(C(=O)N2C[C@H](C)C[C@@H](C)C2)C2(CCC(C)CC2)OC1=O ZINC000005058816 181198665 /nfs/dbraw/zinc/19/86/65/181198665.db2.gz BAFJTKICLOHFAD-IXVUQVCVSA-N 0 0 319.445 3.313 1 0 DGAFRN CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccoc3)nc21 ZINC000005841987 181288501 /nfs/dbraw/zinc/28/85/01/181288501.db2.gz GOSIJUGDTWLDOF-UHFFFAOYSA-N 0 0 320.352 3.485 1 0 DGAFRN CCc1cc(NCc2nc3c(cccc3F)o2)c(=O)[nH]c1C ZINC000005887378 181292863 /nfs/dbraw/zinc/29/28/63/181292863.db2.gz PQUACSLGWKJTOY-UHFFFAOYSA-N 0 0 301.321 3.138 1 0 DGAFRN Cc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2F)nc1 ZINC000005931022 181297419 /nfs/dbraw/zinc/29/74/19/181297419.db2.gz LYVZDNAEPHFSCA-HNNXBMFYSA-N 0 0 306.337 3.447 1 0 DGAFRN C[C@@H]1C/C=C/CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 ZINC000006030541 181307165 /nfs/dbraw/zinc/30/71/65/181307165.db2.gz WSBASKMWDAUNEI-OGOUPESXSA-N 0 0 318.369 3.275 1 0 DGAFRN Cc1c(C(=O)NCc2ccccc2C)oc2c1-c1n[nH]cc1CC2 ZINC000006748395 181382530 /nfs/dbraw/zinc/38/25/30/181382530.db2.gz KGOKCBRZBBEYBE-UHFFFAOYSA-N 0 0 321.380 3.315 1 0 DGAFRN COc1ccccc1NC(=O)n1sc2ccccc2c1=O ZINC000096271391 193608193 /nfs/dbraw/zinc/60/81/93/193608193.db2.gz UIBSLLYDPMQGGE-UHFFFAOYSA-N 0 0 300.339 3.152 1 0 DGAFRN CCCCNC(=O)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 ZINC000013478314 181854698 /nfs/dbraw/zinc/85/46/98/181854698.db2.gz QTQIQGBJBZKVTM-ZDUSSCGKSA-N 0 0 314.307 3.115 3 0 DGAFRN Cc1ccccc1CNC(=O)c1cc2cccc3c2n1CCO3 ZINC000020559861 182232788 /nfs/dbraw/zinc/23/27/88/182232788.db2.gz ARWDCSMMGUINBN-UHFFFAOYSA-N 0 0 306.365 3.272 1 0 DGAFRN O=C1N[C@@H]2CCCCC[C@@H]2N1c1nc2cc(F)c(F)cc2o1 ZINC000026653020 182448952 /nfs/dbraw/zinc/44/89/52/182448952.db2.gz AEYRTFCCYIWUJJ-PWSUYJOCSA-N 0 0 307.300 3.337 1 0 DGAFRN Cc1ccc(C2CCCCC2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000026839065 182455028 /nfs/dbraw/zinc/45/50/28/182455028.db2.gz PLAOFIRLJLTRNR-HZPDHXFCSA-N 0 0 305.418 3.301 1 0 DGAFRN Cc1c(C(C)C)c(=O)on1C(=O)N(C)CCc1ccccc1 ZINC000026845908 182455159 /nfs/dbraw/zinc/45/51/59/182455159.db2.gz BVFZHOCJRHPZQA-UHFFFAOYSA-N 0 0 302.374 3.016 1 0 DGAFRN COc1ccc(NC(=O)C(C)(C)c2ccccc2NO)cc1 ZINC000027108958 182463083 /nfs/dbraw/zinc/46/30/83/182463083.db2.gz FXWOMXANTSRDRN-UHFFFAOYSA-N 0 0 300.358 3.413 1 0 DGAFRN COc1ccc(Cn2cnc3c2nc(C)nc3-c2ccco2)cc1 ZINC000028877812 182543472 /nfs/dbraw/zinc/54/34/72/182543472.db2.gz ZQNNZZZISCKBHP-UHFFFAOYSA-N 0 0 320.352 3.452 1 0 DGAFRN Cc1cc(N)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028641954 182532377 /nfs/dbraw/zinc/53/23/77/182532377.db2.gz KQROLVDMBLSYTJ-UHFFFAOYSA-N 0 0 310.806 3.056 1 0 DGAFRN O=C(/C=C/c1ccc(F)cc1F)Nc1ccc2c(c1)OCCO2 ZINC000028863780 182541242 /nfs/dbraw/zinc/54/12/42/182541242.db2.gz RZCNRKILZOFXRH-QHHAFSJGSA-N 0 0 317.291 3.388 1 0 DGAFRN C/C=C1\CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C(=O)OC ZINC000031841810 182625352 /nfs/dbraw/zinc/62/53/52/182625352.db2.gz MRTUFEKUTABFFB-ZSQRGOHASA-N 0 0 310.397 3.206 1 0 DGAFRN O=C1N2CCc3c4ccccc4[nH]c3[C@]23C[C@@H]2CCC[C@]12S3 ZINC000031904799 182629132 /nfs/dbraw/zinc/62/91/32/182629132.db2.gz ONTYSFPWMUHROE-UZCIPKQKSA-N 0 0 310.422 3.395 1 0 DGAFRN CCOC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000039254990 183015447 /nfs/dbraw/zinc/01/54/47/183015447.db2.gz BZIMPEDRUDURQJ-UHFFFAOYSA-N 0 0 321.789 3.217 1 0 DGAFRN CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@H](O1)[C@]43O2 ZINC000040472023 183073248 /nfs/dbraw/zinc/07/32/48/183073248.db2.gz KJVXXRSBNUNPRS-SKUOUFDCSA-N 0 0 324.417 3.014 1 0 DGAFRN COc1ccc(/C=C/c2nc3ccccc3n3cnnc23)cc1 ZINC000040915494 183148059 /nfs/dbraw/zinc/14/80/59/183148059.db2.gz MVCCIVYTLOARHD-DHZHZOJOSA-N 0 0 302.337 3.457 1 0 DGAFRN O=C1c2ccccc2N(Cc2ccccc2C(F)(F)F)C1=O ZINC000040875744 183145596 /nfs/dbraw/zinc/14/55/96/183145596.db2.gz JOZGDDGJDKBVGS-UHFFFAOYSA-N 0 0 305.255 3.435 1 0 DGAFRN CN1C(=O)/C(=C\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000042922841 183319020 /nfs/dbraw/zinc/31/90/20/183319020.db2.gz XPCHLTHLDAMEOU-SAPNQHFASA-N 0 0 306.365 3.164 1 0 DGAFRN COc1cc2nccc(OC(=O)c3ccccc3)c2c(OC)c1 ZINC000045315334 183497208 /nfs/dbraw/zinc/49/72/08/183497208.db2.gz UVNZZNABWOELEV-UHFFFAOYSA-N 0 0 309.321 3.471 1 0 DGAFRN COC(=O)CCCn1c(C)cc2cc(=O)cc3oc(C)cc1c23 ZINC000045349444 183499758 /nfs/dbraw/zinc/49/97/58/183499758.db2.gz OTLORQJLOJHVHW-UHFFFAOYSA-N 0 0 313.353 3.318 1 0 in-vitro DGAFRN O=C1[C@H]2CCCN2[C@H](c2cccnc2)N1c1ccc(Cl)cc1 ZINC000058047564 184070821 /nfs/dbraw/zinc/07/08/21/184070821.db2.gz UGGPGVHLNUJNLN-CVEARBPZSA-N 0 0 313.788 3.245 3 0 DGAFRN Cc1ccc(O)c(C(=O)c2cnn(-c3ccc(F)c(F)c3)c2)c1 ZINC000058590898 184123976 /nfs/dbraw/zinc/12/39/76/184123976.db2.gz CJJIUPXFTGVOKH-UHFFFAOYSA-N 0 0 314.291 3.396 1 0 DGAFRN CCC(=O)N1[C@@H]2CC[C@@H]3[C@H]1CC[C@H]2N3C/C=C/c1ccccc1 ZINC000058587177 184124092 /nfs/dbraw/zinc/12/40/92/184124092.db2.gz VXTNVJSXQHOWKY-SOPDIKHXSA-N 0 0 310.441 3.316 1 0 DGAFRN C[N@@H+]1CC[C@H](Nc2nc(-c3ccccc3[O-])nc3ccccc32)C1 ZINC000059275536 184136301 /nfs/dbraw/zinc/13/63/01/184136301.db2.gz HKIOEJLYMGIAOQ-ZDUSSCGKSA-N 0 0 320.396 3.118 1 0 DGAFRN COc1cc(CNc2ccc(C)c(O)c2)cc(OC)c1OC ZINC000059636762 184140220 /nfs/dbraw/zinc/14/02/20/184140220.db2.gz UJOFXNJWMIPTAC-UHFFFAOYSA-N 0 0 303.358 3.339 1 0 DGAFRN COc1ccccc1-c1c[nH]c([C@H](O)c2ccc(F)c(F)c2)n1 ZINC000061898010 184193595 /nfs/dbraw/zinc/19/35/95/184193595.db2.gz HWZLMZUGRPROKE-MRXNPFEDSA-N 0 0 316.307 3.445 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCCCN1C(=O)/C=C/c1ccccc1 ZINC000061897116 184193729 /nfs/dbraw/zinc/19/37/29/184193729.db2.gz DXRDTSZRJFRARU-JXOMPUQVSA-N 0 0 315.413 3.424 3 0 DGAFRN CN(C)Cc1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061926729 184196232 /nfs/dbraw/zinc/19/62/32/184196232.db2.gz FRPSIQVKXOBKKY-UHFFFAOYSA-N 0 0 302.325 3.362 3 0 DGAFRN C[C@@H]1CN([S@@](=O)C(C)(C)C)[C@@H](CCO)/C1=C\c1ccccc1 ZINC000061943219 184197740 /nfs/dbraw/zinc/19/77/40/184197740.db2.gz UDSDLWCITKWWHE-DERGTCKFSA-N 0 0 321.486 3.235 3 0 DGAFRN O=C(NC1CCCCC1)N1OC[C@H]2COc3ccccc3[C@H]21 ZINC000062225456 184224075 /nfs/dbraw/zinc/22/40/75/184224075.db2.gz IYUBLQIEZBXVPP-WBMJQRKESA-N 0 0 302.374 3.026 1 0 DGAFRN Nc1nc2c(cc(-c3ccccc3)n2-c2ccccc2)c(N)n1 ZINC000064448666 184297401 /nfs/dbraw/zinc/29/74/01/184297401.db2.gz WBENNSNWVZPBLY-UHFFFAOYSA-N 0 0 301.353 3.252 1 0 DGAFRN COCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1 ZINC000064475009 184298253 /nfs/dbraw/zinc/29/82/53/184298253.db2.gz ROVVLXKULKSDLZ-UHFFFAOYSA-N 0 0 302.765 3.108 1 0 DGAFRN COc1cc2c(cc1O)C[C@@H](c1ccc(OC)c(OC)c1)CO2 ZINC000064560268 184299786 /nfs/dbraw/zinc/29/97/86/184299786.db2.gz VSLKOCDXHYNFRY-CYBMUJFWSA-N 0 0 316.353 3.137 1 0 DGAFRN CC1=NS(=O)(=O)c2cnccc2N1C1CCCCCCC1 ZINC000005735259 134472530 /nfs/dbraw/zinc/47/25/30/134472530.db2.gz OCVQCJVHAGMMLX-UHFFFAOYSA-N 0 0 307.419 3.122 1 0 DGAFRN CC(=O)c1cc2cc(C(=O)N3CCCc4ccccc43)cnc2[nH]1 ZINC000072323885 275803236 /nfs/dbraw/zinc/80/32/36/275803236.db2.gz PZAJVLOPFABOEY-UHFFFAOYSA-N 0 0 319.364 3.359 2 0 DGAFRN O=C1Nc2ccccc2/C1=C\c1c(Cl)nc2n1CCS2 ZINC000006019018 280303431 /nfs/dbraw/zinc/30/34/31/280303431.db2.gz DROHEAVJULOCPY-VQHVLOKHSA-N 0 0 303.774 3.135 1 0 DGAFRN CC1(C)CC[C@H](O)[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)C1)[C@H]32 ZINC000095912417 560057173 /nfs/dbraw/zinc/05/71/73/560057173.db2.gz AIBLHAHWWHPWAB-LSAYCRBSSA-N 0 0 320.473 3.130 1 0 biogenic,in-vitro DGAFRN CCC[C@H](C[C@@H](O)CCc1ccc(OC)c(OC)c1)OC(C)=O ZINC000015256881 560229621 /nfs/dbraw/zinc/22/96/21/560229621.db2.gz CSXVFKLRXPLPEK-JKSUJKDBSA-N 0 0 324.417 3.119 1 0 biogenic,in-vitro DGAFRN CC1(C)[C@@H](O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@H](C[C@@H]21)[C@](C)(O)C3 ZINC000100780900 571834348 /nfs/dbraw/zinc/83/43/48/571834348.db2.gz JHXMMAKVDKZILM-AVTLVRQISA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN Nc1nc2c(cnn2CCCc2ccccc2)c(-c2ccco2)n1 ZINC000000003605 581095951 /nfs/dbraw/zinc/09/59/51/581095951.db2.gz CECMCHUAHZIDKZ-UHFFFAOYSA-N 0 0 319.368 3.301 1 0 DGAFRN COC(=O)Cc1ccccc1OC(=O)c1ccccc1Cl ZINC000045496228 658983717 /nfs/dbraw/zinc/98/37/17/658983717.db2.gz ZRJXGWRBNHHFHN-UHFFFAOYSA-N 0 0 304.729 3.275 1 0 DGAFRN Cc1c(C(=O)Nc2cc(C)ccn2)nn(C)c1-c1ccc(F)cc1 ZINC000095602112 185382473 /nfs/dbraw/zinc/38/24/73/185382473.db2.gz ZKBYMWFMQLKNTC-UHFFFAOYSA-N 0 0 324.359 3.490 1 0 DGAFRN Nc1ccc(Cl)cc1C1=NN(C(=O)Cc2ccccc2)CC1 ZINC000096907964 185390742 /nfs/dbraw/zinc/39/07/42/185390742.db2.gz LETBMTBATMJOFV-UHFFFAOYSA-N 0 0 313.788 3.101 1 0 DGAFRN C[C@@]1(c2cccc(-c3cncnc3)c2)NC(=N)c2ccccc2O1 ZINC000096906048 185390862 /nfs/dbraw/zinc/39/08/62/185390862.db2.gz UDZOLWLMXRBGHJ-LJQANCHMSA-N 0 0 316.364 3.114 1 0 DGAFRN CCC(=O)Nc1cc(NC(=O)/C=C/c2ccccc2)ccc1O ZINC000096929288 185392183 /nfs/dbraw/zinc/39/21/83/185392183.db2.gz WRYFNCHXFIGFPD-DHZHZOJOSA-N 0 0 310.353 3.393 1 0 DGAFRN Fc1ccc(Nc2nc(N3CCCCC3)nc3n[nH]cc32)cc1 ZINC000096928448 185392210 /nfs/dbraw/zinc/39/22/10/185392210.db2.gz OZXSHKZLOMHBMC-UHFFFAOYSA-N 0 0 312.352 3.226 1 0 DGAFRN CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1cccnc1 ZINC000082155587 192362128 /nfs/dbraw/zinc/36/21/28/192362128.db2.gz CXCAQDOISZTLLX-LJQANCHMSA-N 0 0 317.348 3.474 1 0 DGAFRN COC(=O)c1ccc(C(=O)c2c(N)sc3c2CCCC3)cc1 ZINC000027188818 190654027 /nfs/dbraw/zinc/65/40/27/190654027.db2.gz DSQPVVJMEVDVMD-UHFFFAOYSA-N 0 0 315.394 3.227 1 0 DGAFRN Cc1ccc2[nH]c(-c3cc4ccccc4n4nnnc34)nc2c1 ZINC000103221182 185439277 /nfs/dbraw/zinc/43/92/77/185439277.db2.gz NVNMVHARUBRYBN-UHFFFAOYSA-N 0 0 300.325 3.129 1 0 DGAFRN Cc1nc(CF)nc(NCc2ccc(Br)cc2)n1 ZINC000103295159 185445109 /nfs/dbraw/zinc/44/51/09/185445109.db2.gz PISLKSRUCVWVIO-UHFFFAOYSA-N 0 0 311.158 3.024 1 0 DGAFRN Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccccc1 ZINC000072123414 191042140 /nfs/dbraw/zinc/04/21/40/191042140.db2.gz HVGGDNWEFQHDDM-UHFFFAOYSA-N 0 0 319.412 3.355 1 0 DGAFRN COc1ccc(-c2nc(C(=O)c3ccc(F)cc3)cn2C)cc1 ZINC000072140919 191049993 /nfs/dbraw/zinc/04/99/93/191049993.db2.gz JGUBYMKFIPTDQM-UHFFFAOYSA-N 0 0 310.328 3.466 1 0 DGAFRN CC(=O)OCc1cccc(-n2sc3cc(F)ccc3c2=O)c1 ZINC000072178472 191070392 /nfs/dbraw/zinc/07/03/92/191070392.db2.gz KTPBEVDPXRHRIU-UHFFFAOYSA-N 0 0 317.341 3.254 1 0 DGAFRN COc1cc2ccnc([C@H](OC)c3ccc(O)cc3)c2cc1O ZINC000013365906 290917337 /nfs/dbraw/zinc/91/73/37/290917337.db2.gz UGPTYMLHEHFVJS-GOSISDBHSA-N 0 0 311.337 3.390 1 0 endogenous,in-man DGAFRN COc1cc2ncnc(N[C@H]3C[C@H]3c3ccccc3)c2cc1O ZINC000003815339 181046955 /nfs/dbraw/zinc/04/69/55/181046955.db2.gz CQIGCEDRWOCRQD-WFASDCNBSA-N 0 0 307.353 3.312 1 0 DGAFRN CN(C)C(C)(C)c1nnnn1C(c1ccccc1)c1ccccc1 ZINC000003897459 181054248 /nfs/dbraw/zinc/05/42/48/181054248.db2.gz WQMDDYGLFWDXGB-UHFFFAOYSA-N 0 0 321.428 3.108 1 0 DGAFRN CN(C)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1 ZINC000004239336 181087012 /nfs/dbraw/zinc/08/70/12/181087012.db2.gz FHJRWKYRXYSYAG-UHFFFAOYSA-N 0 0 308.385 3.439 1 0 DGAFRN COCCNc1ncnc2ccc(-c3cccc(OC)c3)cc21 ZINC000004239303 181087166 /nfs/dbraw/zinc/08/71/66/181087166.db2.gz RBKDRTRYNASJOF-UHFFFAOYSA-N 0 0 309.369 3.364 1 0 DGAFRN COc1ccccc1CNC(=O)c1cc2sccc2n1C ZINC000004374605 181104208 /nfs/dbraw/zinc/10/42/08/181104208.db2.gz NOXHLWHQFVZCLB-UHFFFAOYSA-N 0 0 300.383 3.178 3 0 DGAFRN Cc1nc2nc(C)cc(Nc3ccccc3Br)n2n1 ZINC000004822896 181157324 /nfs/dbraw/zinc/15/73/24/181157324.db2.gz PDKXHKFNIQRLDG-UHFFFAOYSA-N 0 0 318.178 3.247 3 0 DGAFRN COc1ccc(Cl)cc1Nc1cc(C)nc2nc(C)nn21 ZINC000004923493 181173590 /nfs/dbraw/zinc/17/35/90/181173590.db2.gz KICPAHCLLZENIZ-UHFFFAOYSA-N 0 0 303.753 3.147 3 0 DGAFRN O=C1CS[C@H](c2c(F)cccc2Cl)N1c1ncccn1 ZINC000005551833 181256084 /nfs/dbraw/zinc/25/60/84/181256084.db2.gz CSEPHHLAQRMVQS-GFCCVEGCSA-N 0 0 309.753 3.048 1 0 DGAFRN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1n[nH]nc12 ZINC000005503633 181250739 /nfs/dbraw/zinc/25/07/39/181250739.db2.gz BZPYOPXMDGFZDN-OVKDOBFJSA-N 0 0 313.445 3.142 1 0 DGAFRN Cc1cccnc1N1C(=O)CS[C@H]1c1c(F)cccc1F ZINC000005931431 181297261 /nfs/dbraw/zinc/29/72/61/181297261.db2.gz APUDFQUXQNVUPA-HNNXBMFYSA-N 0 0 306.337 3.447 1 0 DGAFRN COc1cc(O)cc2c1C(=O)O[C@@H](C)CC(=O)CCCCC2 ZINC000006018209 181306445 /nfs/dbraw/zinc/30/64/45/181306445.db2.gz INSZIEBAMCBLFE-NSHDSACASA-N 0 0 306.358 3.022 1 0 DGAFRN Clc1ccc([C@]2(Cn3cncn3)OCc3ccccc32)cc1 ZINC000006583243 181357054 /nfs/dbraw/zinc/35/70/54/181357054.db2.gz AFFYNHDAUHLCSP-KRWDZBQOSA-N 0 0 311.772 3.406 1 0 DGAFRN CC1=C(C(=O)N[C@@H](C)c2ccccc2)C2(CCCCC2)OC1=O ZINC000006772364 181385880 /nfs/dbraw/zinc/38/58/80/181385880.db2.gz VDYRDQAPHRDGHT-AWEZNQCLSA-N 0 0 313.397 3.440 1 0 DGAFRN Cc1sc(C)c2[nH]c([S@](=O)Cc3ccc(C)cn3)nc12 ZINC000013448848 181851244 /nfs/dbraw/zinc/85/12/44/181851244.db2.gz KFDDUABLCIPTOB-FQEVSTJZSA-N 0 0 305.428 3.252 1 0 DGAFRN O=C1O[C@@H](Cn2cccn2)CC1(c1ccccc1)c1ccccc1 ZINC000013651166 181873619 /nfs/dbraw/zinc/87/36/19/181873619.db2.gz BTIIERZNCQUTHZ-GOSISDBHSA-N 0 0 318.376 3.185 1 0 DGAFRN CCC(=O)NC[C@@H]1CCCc2c1c1cc(OC)ccc1n2C ZINC000013777786 181894953 /nfs/dbraw/zinc/89/49/53/181894953.db2.gz HDRFUSNCWLPLJQ-LBPRGKRZSA-N 0 0 300.402 3.133 1 0 DGAFRN Cc1cc(Cl)ccc1NC(=O)NC1N=NC(=S)S1 ZINC000013796929 181898514 /nfs/dbraw/zinc/89/85/14/181898514.db2.gz GLGBGXFJYXKPIT-UHFFFAOYSA-N 0 0 300.796 3.433 1 0 DGAFRN CCC(=O)NC[C@@H]1CCc2c(OC)ccc3ccc(OC)c1c32 ZINC000013834420 181905236 /nfs/dbraw/zinc/90/52/36/181905236.db2.gz WNFSGBUJDTYDRC-ZDUSSCGKSA-N 0 0 313.397 3.413 1 0 DGAFRN COc1ccccc1CNc1nccn(-c2ccc(C)cc2)c1=O ZINC000015732385 182014217 /nfs/dbraw/zinc/01/42/17/182014217.db2.gz JXDHBGOSNGVSNM-UHFFFAOYSA-N 0 0 321.380 3.162 1 0 DGAFRN C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(O)cc2)N[C@H]1c1ccc(O)cc1 ZINC000015919731 182024770 /nfs/dbraw/zinc/02/47/70/182024770.db2.gz NFDDAJSPVPMMDU-GWIYSAMLSA-N 0 0 311.381 3.325 1 0 DGAFRN CCOCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329793 182208619 /nfs/dbraw/zinc/20/86/19/182208619.db2.gz BIHSNSYBRRJMQE-UHFFFAOYSA-N 0 0 318.764 3.387 1 0 DGAFRN NC(=S)N1N=C(c2ccccc2)C[C@H]1c1c(F)cccc1F ZINC000098082034 193783295 /nfs/dbraw/zinc/78/32/95/193783295.db2.gz BQUJNVZYKBKKRS-AWEZNQCLSA-N 0 0 317.364 3.360 1 0 DGAFRN C[C@@H](C(N)=O)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027556423 182477707 /nfs/dbraw/zinc/47/77/07/182477707.db2.gz KJANFQGATFVZPD-RAIGVLPGSA-N 0 0 303.427 3.370 1 0 DGAFRN CC(C)c1c2c(nn1Cc1ccccc1)C(=O)N1CCC[C@H]1C=N2 ZINC000027436313 182472920 /nfs/dbraw/zinc/47/29/20/182472920.db2.gz CHIPGRFKWINMRO-HNNXBMFYSA-N 0 0 322.412 3.375 1 0 DGAFRN CCC(C)(C)Nc1c(=O)c(=O)c1NCc1c(C)cc(C)cc1C ZINC000028227823 182513551 /nfs/dbraw/zinc/51/35/51/182513551.db2.gz CBHWLFBAFDOTQK-DRXLFAFDSA-N 0 0 314.429 3.089 1 0 DGAFRN Oc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028395653 182522757 /nfs/dbraw/zinc/52/27/57/182522757.db2.gz NHJLKTWJVWPGJJ-UHFFFAOYSA-N 0 0 315.336 3.097 1 0 DGAFRN CCCc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O ZINC000028950983 182546677 /nfs/dbraw/zinc/54/66/77/182546677.db2.gz MCLNCJWPYFBPGM-UHFFFAOYSA-N 0 0 319.213 3.293 1 0 DGAFRN CCOP(=O)(C[C@H](O)[C@H](C)OCc1ccccc1)OCC ZINC000038882512 183012334 /nfs/dbraw/zinc/01/23/34/183012334.db2.gz SNEBMGMJJSIPRG-ZFWWWQNUSA-N 0 0 316.334 3.219 1 0 DGAFRN CNc1nc(C)nc2c(Cc3ccc4ccccc4c3)cnn21 ZINC000040393250 183060990 /nfs/dbraw/zinc/06/09/90/183060990.db2.gz CFUKLJIYIMAIEW-UHFFFAOYSA-N 0 0 303.369 3.218 1 0 DGAFRN C=C(c1ccc(OC)c(O)c1)c1cc2c(c(OC)c1)OCO2 ZINC000040425248 183065486 /nfs/dbraw/zinc/06/54/86/183065486.db2.gz GKGSMFVEQZITPG-UHFFFAOYSA-N 0 0 300.310 3.200 1 0 DGAFRN Nc1nccc(/C=C/c2c(-c3ccccc3)nc3n2CCS3)n1 ZINC000040430050 183065732 /nfs/dbraw/zinc/06/57/32/183065732.db2.gz PWKMWUOCPKAFMY-VOTSOKGWSA-N 0 0 321.409 3.198 1 0 DGAFRN O=C(Nc1ccccn1)c1ccccc1NCc1ccncc1 ZINC000040575451 183104617 /nfs/dbraw/zinc/10/46/17/183104617.db2.gz XERBDADJBGVPHV-UHFFFAOYSA-N 0 0 304.353 3.341 1 0 DGAFRN COc1cc2c(cc1OC)-c1cc3ccc(C)cc3c(=O)n1C2 ZINC000040880952 183146482 /nfs/dbraw/zinc/14/64/82/183146482.db2.gz ZWYJTKYDPZTRCE-UHFFFAOYSA-N 0 0 307.349 3.356 1 0 DGAFRN O=C(c1cccnc1)n1c2ccccc2nc1-c1ccc(O)cc1 ZINC000040898788 183147233 /nfs/dbraw/zinc/14/72/33/183147233.db2.gz SQLAIHVZINQCFW-UHFFFAOYSA-N 0 0 315.332 3.492 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2O[C@@H]31 ZINC000040913462 183148053 /nfs/dbraw/zinc/14/80/53/183148053.db2.gz WFCWSBBWJJBWFD-IBGZPJMESA-N 0 0 320.348 3.266 1 0 DGAFRN CCOC(=O)c1c(=O)[nH]c(C)c(CC)c1O[C@H]1CCC[C@H](C)C1 ZINC000040974286 183153714 /nfs/dbraw/zinc/15/37/14/183153714.db2.gz VXFNVWORKGQBMR-AAEUAGOBSA-N 0 0 321.417 3.380 1 0 DGAFRN CCS(=O)(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000040866591 183144600 /nfs/dbraw/zinc/14/46/00/183144600.db2.gz DPODYWAEUJCWQB-UHFFFAOYSA-N 0 0 315.394 3.407 1 0 DGAFRN COCOc1ccccc1-c1cc2cc(C)ccc2c(=O)n1C ZINC000040878098 183145406 /nfs/dbraw/zinc/14/54/06/183145406.db2.gz SMHCIUZRZCEGQD-UHFFFAOYSA-N 0 0 309.365 3.497 1 0 DGAFRN COC(=O)c1ccc2cccc(CNC(=O)c3ccco3)c2c1 ZINC000040880969 183145996 /nfs/dbraw/zinc/14/59/96/183145996.db2.gz LCWGMOUWPAUAIA-UHFFFAOYSA-N 0 0 309.321 3.149 1 0 DGAFRN CCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061905140 184193933 /nfs/dbraw/zinc/19/39/33/184193933.db2.gz OVZGEXFPVXKZGX-IBGZPJMESA-N 0 0 316.445 3.115 3 0 DGAFRN CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(C)c(C)c1 ZINC000061904294 184193963 /nfs/dbraw/zinc/19/39/63/184193963.db2.gz HQGMLZUPAOPBSR-GOSISDBHSA-N 0 0 302.418 3.423 3 0 DGAFRN O=C(Nc1cccc(F)c1)c1ccc(-n2cncn2)c2ccoc21 ZINC000061908788 184194534 /nfs/dbraw/zinc/19/45/34/184194534.db2.gz QJPBPEJTKNGAJH-UHFFFAOYSA-N 0 0 322.299 3.405 3 0 DGAFRN Cc1cccc(C)c1NC(=O)Nc1nc(CN(C)C)cs1 ZINC000061927316 184196433 /nfs/dbraw/zinc/19/64/33/184196433.db2.gz YFNBUPRHSGSICR-UHFFFAOYSA-N 0 0 304.419 3.466 3 0 DGAFRN C[C@H]1CN([S@@](=O)C(C)(C)C)[C@@H](CCO)/C1=C\c1ccccc1 ZINC000061943223 184198158 /nfs/dbraw/zinc/19/81/58/184198158.db2.gz UDSDLWCITKWWHE-FHHPQURKSA-N 0 0 321.486 3.235 3 0 DGAFRN CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1cc(C)ccc1C ZINC000061895685 184193151 /nfs/dbraw/zinc/19/31/51/184193151.db2.gz WLMZLNOYANDNOJ-SFHVURJKSA-N 0 0 302.418 3.423 3 0 DGAFRN CC(C)n1nc(-c2cnc3ccccc3c2)c2c1ncnc2N ZINC000064479901 184298239 /nfs/dbraw/zinc/29/82/39/184298239.db2.gz HGALDAPNHYJZAJ-UHFFFAOYSA-N 0 0 304.357 3.205 1 0 DGAFRN O=C1OCC(N2CCCCC2)=C1c1ccc(Br)cc1 ZINC000066073739 184387179 /nfs/dbraw/zinc/38/71/79/184387179.db2.gz BDHSFZCBNFZFPH-UHFFFAOYSA-N 0 0 322.202 3.203 1 0 DGAFRN COc1ccc(Oc2c(C)cnn(-c3ccccc3)c2=O)cc1 ZINC000066157624 184393761 /nfs/dbraw/zinc/39/37/61/184393761.db2.gz OGZYAEDZXKLMGQ-UHFFFAOYSA-N 0 0 308.337 3.342 1 0 DGAFRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000004587626 285012003 /nfs/dbraw/zinc/01/20/03/285012003.db2.gz MPXZKJSNROLDGS-XXHBBNRNSA-N 0 0 308.164 3.305 1 0 DGAFRN COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H](C)C2)cc1OC ZINC000013863437 134517206 /nfs/dbraw/zinc/51/72/06/134517206.db2.gz COSOWSDUTHWTJU-CYBMUJFWSA-N 0 0 324.380 3.481 1 0 DGAFRN c1nc2nc(-c3ccccc3)n3[nH]c(-c4ccccc4)nc3c-2n1 ZINC000100919813 581091144 /nfs/dbraw/zinc/09/11/44/581091144.db2.gz XWVKFRCJHLHYHT-UHFFFAOYSA-N 0 0 312.336 3.335 1 0 DGAFRN O=C(Nc1ccc(Br)cc1)c1cc2ccccn2n1 ZINC000005007309 274997050 /nfs/dbraw/zinc/99/70/50/274997050.db2.gz GBMCAQNXCBHEGR-UHFFFAOYSA-N 0 0 316.158 3.349 3 0 DGAFRN C[C@@]1(C(=O)CO)C=C2CC[C@@H]3[C@@](C)(CO)CCC[C@@]3(C)[C@@H]2CC1 ZINC000033830803 560088761 /nfs/dbraw/zinc/08/87/61/560088761.db2.gz UZMHSOXTTHVKPU-AFKBCAQJSA-N 0 0 320.473 3.489 1 0 biogenic,in-vitro DGAFRN COc1cc2ccnc3c2c(c1OC)C(=O)c1cc(O)ccc1-3 ZINC000014588332 560222621 /nfs/dbraw/zinc/22/26/21/560222621.db2.gz YDWCYBHIDYZMRV-UHFFFAOYSA-N 0 0 307.305 3.169 1 0 biogenic,in-vitro DGAFRN CC1(C)[C@@H](O)C(=O)C[C@@]2(C)[C@@H]1CC[C@]13C=C[C@H](C[C@@H]21)[C@](C)(O)C3 ZINC000100780893 571834344 /nfs/dbraw/zinc/83/43/44/571834344.db2.gz JHXMMAKVDKZILM-BWMSTMORSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN COc1ccc(/C=C/C(=O)Nc2cccc3ocnc32)cc1O ZINC000118485551 1199932197 /nfs/dbraw/zinc/93/21/97/1199932197.db2.gz LCCYEABGYXFCIU-SOFGYWHQSA-N 0 0 310.309 3.194 1 0 DGAFRN O=C(Nc1nc2ccc(O)cc2s1)c1ccc(F)c(O)c1 ZINC000095556286 185379572 /nfs/dbraw/zinc/37/95/72/185379572.db2.gz IRWLRRFQPKSUGH-UHFFFAOYSA-N 0 0 304.302 3.099 1 0 DGAFRN Cn1c(N)nc([C@@H]2C[C@@H]2c2cccc(-c3ccccc3)c2)cc1=O ZINC000095555462 185379585 /nfs/dbraw/zinc/37/95/85/185379585.db2.gz IPEYSHXKDLIENI-IAGOWNOFSA-N 0 0 317.392 3.301 1 0 DGAFRN O=C1CCc2cc([C@@H](C3CCC3)n3ccnc3)cc3c2N1CC3 ZINC000095556058 185379769 /nfs/dbraw/zinc/37/97/69/185379769.db2.gz VLMXTDCZRRXWOY-GOSISDBHSA-N 0 0 307.397 3.108 1 0 DGAFRN O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000095573065 185380629 /nfs/dbraw/zinc/38/06/29/185380629.db2.gz DZHVJBFLDOOJPZ-BJJXKVORSA-N 0 0 323.396 3.099 1 0 DGAFRN CC(C)n1nc(Cc2cc(Cl)ccc2F)c2c1ncnc2N ZINC000095582034 185380900 /nfs/dbraw/zinc/38/09/00/185380900.db2.gz KLTINIQYYOZOMR-UHFFFAOYSA-N 0 0 319.771 3.373 1 0 DGAFRN Cc1sc2nc3ncc(-c4ccc(C)cc4)nn3c(=O)c2c1C ZINC000095590250 185381974 /nfs/dbraw/zinc/38/19/74/185381974.db2.gz NBTMOXKTUSYWJU-UHFFFAOYSA-N 0 0 322.393 3.291 1 0 DGAFRN CCOP(=O)(CCCC(=O)Nc1cccc(O)c1)OCC ZINC000096907971 185390845 /nfs/dbraw/zinc/39/08/45/185390845.db2.gz PADLKYVNVDCJBN-UHFFFAOYSA-N 0 0 315.306 3.377 1 0 DGAFRN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2oc(N)nc2c1 ZINC000096934814 185392652 /nfs/dbraw/zinc/39/26/52/185392652.db2.gz BKEXSGHGVGZNOV-MRXNPFEDSA-N 0 0 320.352 3.108 1 0 DGAFRN C[C@H]1C[C@H](C)CN(C(=O)c2cccc3c2SCCC3=O)C1 ZINC000006841528 190624022 /nfs/dbraw/zinc/62/40/22/190624022.db2.gz XEVKZQGRJNSRLU-RYUDHWBXSA-N 0 0 303.427 3.483 1 0 DGAFRN Cc1nn(C(C)C)c2c1C(c1ccccc1Cl)=NCC(=O)N2 ZINC000169335551 197743634 /nfs/dbraw/zinc/74/36/34/197743634.db2.gz GVBLBKPXXQWOHU-UHFFFAOYSA-N 0 0 316.792 3.215 1 0 DGAFRN COc1ccc(/C=C/S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000103248146 185440640 /nfs/dbraw/zinc/44/06/40/185440640.db2.gz ARARRVUQIOHZIZ-VAWYXSNFSA-N 0 0 304.367 3.148 1 0 DGAFRN CCCCCCOc1ccc2c(c1)CCCc1n[nH]c(=O)n1-2 ZINC000071317058 190956742 /nfs/dbraw/zinc/95/67/42/190956742.db2.gz NMHHJCYTVTWZDV-UHFFFAOYSA-N 0 0 301.390 3.008 1 0 DGAFRN O[C@@](c1cncs1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000072102197 191036874 /nfs/dbraw/zinc/03/68/74/191036874.db2.gz FVQQGFCAYFRGGE-HNNXBMFYSA-N 0 0 302.786 3.476 1 0 DGAFRN CCN(CC)c1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1 ZINC000072118803 191039231 /nfs/dbraw/zinc/03/92/31/191039231.db2.gz TYMOHDNZGVZEIV-UHFFFAOYSA-N 0 0 324.384 3.481 1 0 DGAFRN CCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C ZINC000084690220 192457818 /nfs/dbraw/zinc/45/78/18/192457818.db2.gz TZJOXOHOKRAPFQ-UHFFFAOYSA-N 0 0 305.761 3.104 1 0 DGAFRN C=C/C(C)=C\C[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C ZINC000082039703 290912956 /nfs/dbraw/zinc/91/29/56/290912956.db2.gz JEZOMVOAWYLQAJ-ZHPNODNJSA-N 0 0 322.489 3.444 1 0 biogenic,in-vitro DGAFRN CC(=O)c1cc2cc(C(=O)Nc3ccc(C)c(F)c3)cnc2[nH]1 ZINC000072322859 191121573 /nfs/dbraw/zinc/12/15/73/191121573.db2.gz DWKFVZAGCVPNBH-UHFFFAOYSA-N 0 0 311.316 3.465 2 0 DGAFRN C[C@H]1CN(C(=O)c2cn(C(C)(C)C)c3ncccc23)C[C@H](C)O1 ZINC000072323680 191122116 /nfs/dbraw/zinc/12/21/16/191122116.db2.gz IOUNVYKEBFXHMA-STQMWFEESA-N 0 0 315.417 3.041 2 0 DGAFRN COc1ccc(NC(=O)C(=O)c2c[nH]c3cc(C)ccc32)cc1 ZINC000073141209 191282191 /nfs/dbraw/zinc/28/21/91/191282191.db2.gz SAYHXYZGMROOJV-UHFFFAOYSA-N 0 0 308.337 3.306 1 0 DGAFRN CC(C)O[C@@H]1C=CC[C@H]1N(O)c1ccc(Br)cn1 ZINC000073195894 191290273 /nfs/dbraw/zinc/29/02/73/191290273.db2.gz WNCUBQFGJNUPGN-VXGBXAGGSA-N 0 0 313.195 3.162 1 0 DGAFRN COc1ccc([C@@H]2CC(=O)c3ccc(O)c(C)c3O2)c(OC)c1 ZINC000073198152 191291741 /nfs/dbraw/zinc/29/17/41/191291741.db2.gz SCDRDJZGPKYSJC-KRWDZBQOSA-N 0 0 314.337 3.424 1 0 DGAFRN Cc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccccc2)n1 ZINC000073219019 191294804 /nfs/dbraw/zinc/29/48/04/191294804.db2.gz UKYZOXZXSMDUBU-UHFFFAOYSA-N 0 0 305.337 3.179 1 0 DGAFRN O=C(Nc1nnc(-c2ccccn2)o1)c1cccc(Cl)c1 ZINC000004264967 181089745 /nfs/dbraw/zinc/08/97/45/181089745.db2.gz XEKYIYNCRBVGJK-UHFFFAOYSA-N 0 0 300.705 3.037 3 0 DGAFRN O=C(CCOc1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000004276180 181091253 /nfs/dbraw/zinc/09/12/53/181091253.db2.gz RGDUUHNGPPGQEP-UHFFFAOYSA-N 0 0 309.325 3.144 1 0 DGAFRN CC(=O)c1c(NNc2nc3ccccc3s2)cc(C)oc1=O ZINC000073258729 191297309 /nfs/dbraw/zinc/29/73/09/191297309.db2.gz ZZZMFKPHJZHIOV-UHFFFAOYSA-N 0 0 315.354 3.200 1 0 DGAFRN COc1cc2ncnc(N[C@@H]3C[C@@H]3c3ccccc3)c2cc1O ZINC000004617808 181129764 /nfs/dbraw/zinc/12/97/64/181129764.db2.gz CQIGCEDRWOCRQD-IUODEOHRSA-N 0 0 307.353 3.312 1 0 DGAFRN C[C@@H]1CCC[C@H](NC(=O)Cn2cc3c(n2)CCCCC3)[C@@H]1C ZINC000005148782 181209620 /nfs/dbraw/zinc/20/96/20/181209620.db2.gz COFHAMQZCYUKLI-FMKPAKJESA-N 0 0 303.450 3.093 3 0 DGAFRN CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cn(C)c2ccccc12 ZINC000005847143 181289216 /nfs/dbraw/zinc/28/92/16/181289216.db2.gz NPZCVLAGGQPHDT-UHFFFAOYSA-N 0 0 323.440 3.394 1 0 DGAFRN CN(Cc1coc2nc(N)nc(N)c12)c1ccc2ccccc2c1 ZINC000005850116 181289700 /nfs/dbraw/zinc/28/97/00/181289700.db2.gz SQAZNNGTEFLWEE-UHFFFAOYSA-N 0 0 319.368 3.177 1 0 DGAFRN CN1N=C(c2ccncc2)O[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000006002744 181304994 /nfs/dbraw/zinc/30/49/94/181304994.db2.gz GYIAORFPKPYVLG-AWEZNQCLSA-N 0 0 307.275 3.423 1 0 DGAFRN Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccccc1O)O2 ZINC000006068781 181310624 /nfs/dbraw/zinc/31/06/24/181310624.db2.gz WOGYXYDORXIAGE-ZDUSSCGKSA-N 0 0 300.310 3.127 1 0 biogenic,in-vitro DGAFRN CCCN1C(=O)c2ccccc2[C@]1(O)c1ccc(Cl)cc1 ZINC000006399519 181337647 /nfs/dbraw/zinc/33/76/47/181337647.db2.gz MIDWSIDODUTCGG-QGZVFWFLSA-N 0 0 301.773 3.399 1 0 DGAFRN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1/C=C/c1ccccc1 ZINC000006492239 181345485 /nfs/dbraw/zinc/34/54/85/181345485.db2.gz CXIYLNDXACGIIB-FGDRJRMZSA-N 0 0 310.357 3.445 1 0 aggregator DGAFRN O=C1c2ccccc2S[C@](O)(c2ccccc2)[C@H]2CCCN12 ZINC000006581998 181357224 /nfs/dbraw/zinc/35/72/24/181357224.db2.gz NOBKWXHTKUURTH-SJLPKXTDSA-N 0 0 311.406 3.242 1 0 DGAFRN COc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC ZINC000006791769 181389718 /nfs/dbraw/zinc/38/97/18/181389718.db2.gz IIQIXHXVYQPPQM-UHFFFAOYSA-N 0 0 314.320 3.112 3 0 DGAFRN CCCc1nc2c3ccccc3nc(-n3nc(C)cc3C)n2n1 ZINC000006817426 181393928 /nfs/dbraw/zinc/39/39/28/181393928.db2.gz PEHVNOVOLRHFMM-UHFFFAOYSA-N 0 0 306.373 3.033 1 0 DGAFRN CCOP(=O)(C[C@H](C(C)=O)[C@@H](O)c1ccccc1)OCC ZINC000007992245 181516655 /nfs/dbraw/zinc/51/66/55/181516655.db2.gz USJZKKWJQLVLMA-CABCVRRESA-N 0 0 314.318 3.191 3 0 DGAFRN Cc1nn(C)c2c1c(C)cc(=O)n2Cc1cccc(Cl)c1 ZINC000008605812 181568748 /nfs/dbraw/zinc/56/87/48/181568748.db2.gz UXSFDBCHWVCFNT-UHFFFAOYSA-N 0 0 301.777 3.054 1 0 DGAFRN CCCCOc1ccc(C(=O)/N=c2\sccn2C)cc1OC ZINC000015974687 182027126 /nfs/dbraw/zinc/02/71/26/182027126.db2.gz PSHYMURMLWEXGW-MSUUIHNZSA-N 0 0 320.414 3.015 1 0 DGAFRN O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)c1ccccc1 ZINC000016052860 182030974 /nfs/dbraw/zinc/03/09/74/182030974.db2.gz ZMWYSLJBNJUCRK-UHFFFAOYSA-N 0 0 324.315 3.053 1 0 in-vivo DGAFRN CC(=O)c1c(O)n(O)c2cc(NC(=O)c3cccs3)ccc21 ZINC000017837281 182085973 /nfs/dbraw/zinc/08/59/73/182085973.db2.gz JNRVUYYOUJFYCM-UHFFFAOYSA-N 0 0 316.338 3.101 1 0 DGAFRN Cc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1C ZINC000020143093 182191589 /nfs/dbraw/zinc/19/15/89/182191589.db2.gz ALXORZLHFWUYQC-UHFFFAOYSA-N 0 0 307.397 3.156 3 0 DGAFRN Cc1cccc2c(=O)c(NC(=O)N3C[C@H](C)C[C@H](C)C3)c[nH]c12 ZINC000020463398 182220945 /nfs/dbraw/zinc/22/09/45/182220945.db2.gz DMRLXSNIQCVOJJ-TXEJJXNPSA-N 0 0 313.401 3.346 1 0 DGAFRN Cn1cc(-c2ccnc(NCCCc3ccccc3F)n2)cn1 ZINC000023619713 182364423 /nfs/dbraw/zinc/36/44/23/182364423.db2.gz IGNYPHCAJXOINQ-UHFFFAOYSA-N 0 0 311.364 3.061 1 0 DGAFRN CC(=O)Oc1ccc2oc(=O)c(-c3ccc4c(c3)OCO4)cc2c1 ZINC000026293572 182436584 /nfs/dbraw/zinc/43/65/84/182436584.db2.gz HUKWMRCBZHNOKW-UHFFFAOYSA-N 0 0 324.288 3.114 1 0 DGAFRN CCCCCCn1ncc2c1nc(C)c(C(=O)OCC)c2N ZINC000026576224 182446414 /nfs/dbraw/zinc/44/64/14/182446414.db2.gz GOZKRRMANVEKHP-UHFFFAOYSA-N 0 0 304.394 3.079 1 0 DGAFRN CCCCN1c2ccccc2C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000029133153 182553433 /nfs/dbraw/zinc/55/34/33/182553433.db2.gz XQZLCAHTPXINJY-KRWDZBQOSA-N 0 0 322.408 3.174 1 0 DGAFRN Cc1c(=O)cc(-c2ccc(Cl)cc2)oc1N1CCOCC1 ZINC000101074714 193807654 /nfs/dbraw/zinc/80/76/54/193807654.db2.gz XPLPAQZISDCNAJ-UHFFFAOYSA-N 0 0 305.761 3.105 1 0 DGAFRN CNC(=O)NC(=O)[C@H](CC1CCCC1)c1cccc(Cl)c1 ZINC000038841154 183011456 /nfs/dbraw/zinc/01/14/56/183011456.db2.gz RVQHSJOQTPWKBX-CQSZACIVSA-N 0 0 308.809 3.460 1 0 DGAFRN CCOC(=O)N1CC[C@@H]2Nc3cc(C)c(OC)c(C)c3[C@@H]2C1 ZINC000040556744 183102460 /nfs/dbraw/zinc/10/24/60/183102460.db2.gz WULMSNPHIKHIQA-OLZOCXBDSA-N 0 0 304.390 3.052 1 0 DGAFRN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccsc2)N1 ZINC000040786553 183133658 /nfs/dbraw/zinc/13/36/58/183133658.db2.gz FXNCDQCRASUMQV-LSDHHAIUSA-N 0 0 312.394 3.006 1 0 DGAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl ZINC000040834188 183140075 /nfs/dbraw/zinc/14/00/75/183140075.db2.gz HGARQXXUVFFGNI-UHFFFAOYSA-N 0 0 308.769 3.219 1 0 DGAFRN CCCc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1C ZINC000040848615 183141245 /nfs/dbraw/zinc/14/12/45/183141245.db2.gz DBNHAQSMXNWAAB-UHFFFAOYSA-N 0 0 318.380 3.294 1 0 DGAFRN FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 ZINC000040764032 183130106 /nfs/dbraw/zinc/13/01/06/183130106.db2.gz UDVNHSKNWZLJCD-HZPDHXFCSA-N 0 0 324.783 3.251 1 0 DGAFRN O=c1snc(Nc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000040914060 183148191 /nfs/dbraw/zinc/14/81/91/183148191.db2.gz PWWQPAZLUWBFOG-UHFFFAOYSA-N 0 0 305.309 3.316 1 0 DGAFRN CN1C(=N)NC(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000053296518 183898063 /nfs/dbraw/zinc/89/80/63/183898063.db2.gz MOUUEZBTGQRNJV-NYYWCZLTSA-N 0 0 319.162 3.108 1 0 DGAFRN COC[C@@H](Cc1ccccc1)N1Sc2ccccc2[S@]1=O ZINC000058522843 184121354 /nfs/dbraw/zinc/12/13/54/184121354.db2.gz LKPVCZVAQHXEMY-SZNDQCEHSA-N 0 0 319.451 3.290 1 0 DGAFRN COc1c(=O)c2cc(NC(C)=O)ccc2oc1-c1ccccc1 ZINC000058564006 184122865 /nfs/dbraw/zinc/12/28/65/184122865.db2.gz CKPODEBEVCUVCU-UHFFFAOYSA-N 0 0 309.321 3.427 1 0 DGAFRN COCc1ccc(-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)cc1 ZINC000058583856 184123461 /nfs/dbraw/zinc/12/34/61/184123461.db2.gz KCGGHEHJRIHNQH-UHFFFAOYSA-N 0 0 319.364 3.298 1 0 DGAFRN CCCCNC(=O)N1OC[C@@H]2CSc3ccc(F)cc3[C@H]21 ZINC000058590981 184124100 /nfs/dbraw/zinc/12/41/00/184124100.db2.gz KQWKEFISWLJZKO-YGRLFVJLSA-N 0 0 310.394 3.346 1 0 DGAFRN Cc1noc(C)c1CCC(=O)NCc1ccc(F)cc1Cl ZINC000058602842 184124782 /nfs/dbraw/zinc/12/47/82/184124782.db2.gz LTAXMLURRKBEHP-UHFFFAOYSA-N 0 0 310.756 3.333 1 0 DGAFRN O=C(Nc1ccccc1)[C@@H]1Cc2c(nccc2-c2ccco2)O1 ZINC000061898494 184193616 /nfs/dbraw/zinc/19/36/16/184193616.db2.gz KZSMDHBXDBKXJC-INIZCTEOSA-N 0 0 306.321 3.284 3 0 DGAFRN CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000061904064 184194007 /nfs/dbraw/zinc/19/40/07/184194007.db2.gz UZFBRUPGZVMXHA-INIZCTEOSA-N 0 0 324.424 3.218 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCN1C(=O)c1cccc2ccccc21 ZINC000061927063 184196436 /nfs/dbraw/zinc/19/64/36/184196436.db2.gz JJDIJAURSLBZMH-LJQANCHMSA-N 0 0 311.381 3.398 3 0 DGAFRN C=C(C1=CCN([S@@](=O)C(C)(C)C)[C@@H]1CCO)c1ccccc1 ZINC000061943287 184197952 /nfs/dbraw/zinc/19/79/52/184197952.db2.gz IJISTZMVBMMVKJ-VGOFRKELSA-N 0 0 319.470 3.155 3 0 DGAFRN C=C(C1=CCN([S@](=O)C(C)(C)C)[C@@H]1CCO)c1ccccc1 ZINC000061943285 184198004 /nfs/dbraw/zinc/19/80/04/184198004.db2.gz IJISTZMVBMMVKJ-VGSWGCGISA-N 0 0 319.470 3.155 3 0 DGAFRN CC1=C[C@H](C)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 ZINC000066129023 184391247 /nfs/dbraw/zinc/39/12/47/184391247.db2.gz OLBNLPMDOPZNSD-XPTSAGLGSA-N 0 0 308.175 3.352 1 0 DGAFRN OCc1c(CO)c(-c2ccc(F)cc2)n2c1Cc1ccccc1C2 ZINC000066263035 184399755 /nfs/dbraw/zinc/39/97/55/184399755.db2.gz AZPVOZPYNPBHHA-UHFFFAOYSA-N 0 0 323.367 3.231 1 0 DGAFRN CC(=O)NN1CC(C)(C)Sc2ccc(Br)cc21 ZINC000013525460 134513265 /nfs/dbraw/zinc/51/32/65/134513265.db2.gz GYDBCFRWVSLLCN-UHFFFAOYSA-N 0 0 315.236 3.191 1 0 DGAFRN CCOC(=O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000585144238 400128905 /nfs/dbraw/zinc/12/89/05/400128905.db2.gz INKIVSPIYQQZAK-UHFFFAOYSA-N 0 0 319.670 3.116 2 0 DGAFRN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000100641313 278379495 /nfs/dbraw/zinc/37/94/95/278379495.db2.gz BZRNBPGTGIXIOM-TVYUQYBPSA-N 0 0 322.202 3.375 1 0 DGAFRN COc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1OC ZINC000013863433 431572040 /nfs/dbraw/zinc/57/20/40/431572040.db2.gz KOZNRVVBQXILKV-UHFFFAOYSA-N 0 0 310.353 3.235 1 0 DGAFRN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC(=O)[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000169299298 295260185 /nfs/dbraw/zinc/26/01/85/295260185.db2.gz HYTUXCLDWATLGA-CTRAYCPCSA-N 0 0 300.398 3.091 1 0 DGAFRN CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)CC[C@H]12 ZINC000165979972 560044250 /nfs/dbraw/zinc/04/42/50/560044250.db2.gz JRMZVZSBORMZSD-RUSOHIBLSA-N 0 0 322.489 3.113 1 0 biogenic DGAFRN CC1(C)C[C@@H](O)C[C@@]2(C)[C@H]1C[C@H](O)[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O ZINC000038877931 560081832 /nfs/dbraw/zinc/08/18/32/560081832.db2.gz XQVVNUQPNCRRAK-FYMOVTPCSA-N 0 0 322.489 3.112 1 0 biogenic,in-vitro DGAFRN COc1ccc2c(c1OC)O[C@@H](c1ccc(O)cc1)CC2=O ZINC000014806955 571723995 /nfs/dbraw/zinc/72/39/95/571723995.db2.gz JICUYFPHCQPXNY-OAHLLOKOSA-N 0 0 300.310 3.116 1 0 endogenous,in-man DGAFRN CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC[C@]13C=C[C@H](C[C@@H]21)[C@](C)(O)C3 ZINC000100780897 571834297 /nfs/dbraw/zinc/83/42/97/571834297.db2.gz JHXMMAKVDKZILM-VBIUWGNNSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN Nc1nc2c(Cc3ccc(-c4ccccc4)cc3)c[nH]c2c(=O)[nH]1 ZINC000013798533 581100087 /nfs/dbraw/zinc/10/00/87/581100087.db2.gz KYIDQZVLKXJBKP-UHFFFAOYSA-N 0 0 316.364 3.091 1 0 DGAFRN Cc1ccc(-c2c[nH]c(NC(=O)C=Cc3ccccc3)n2)cc1 ZINC000095558808 185380063 /nfs/dbraw/zinc/38/00/63/185380063.db2.gz CFTYYBTYRDTDLU-FMIVXFBMSA-N 0 0 303.365 3.459 1 0 DGAFRN O=C1C=C(OCCF)C[C@@H](c2ccc(Br)cc2)O1 ZINC000095571499 185380418 /nfs/dbraw/zinc/38/04/18/185380418.db2.gz NNTWTEFACMUHMR-LBPRGKRZSA-N 0 0 315.138 3.307 3 0 DGAFRN CCc1cc(O)c(Oc2ccc(C(=O)NC)cc2F)cc1F ZINC000095576384 185380720 /nfs/dbraw/zinc/38/07/20/185380720.db2.gz AYWSGCFRAPNCFU-UHFFFAOYSA-N 0 0 307.296 3.385 1 0 DGAFRN COc1ccc(-c2c3c(nc4nc[nH]c(=O)c42)[C@H](C)CCC3)cc1 ZINC000096906384 185390788 /nfs/dbraw/zinc/39/07/88/185390788.db2.gz TYMJSVLYLYUTQY-LLVKDONJSA-N 0 0 321.380 3.434 1 0 DGAFRN O=C(/C=C/c1ccccc1)Nc1ccc(O)c(NC(=O)C2CC2)c1 ZINC000096929289 185392391 /nfs/dbraw/zinc/39/23/91/185392391.db2.gz SRPSCIDDADFRHQ-IZZDOVSWSA-N 0 0 322.364 3.393 1 0 DGAFRN COc1ccc(/C(=C/c2cc(OC)cc(OC)c2)CO)cc1 ZINC000096931888 185392514 /nfs/dbraw/zinc/39/25/14/185392514.db2.gz LYFYYDWZXHECEM-OVCLIPMQSA-N 0 0 300.354 3.245 1 0 DGAFRN COc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)c(O)c1 ZINC000082155486 192362644 /nfs/dbraw/zinc/36/26/44/192362644.db2.gz MSOKYWVKHRKCOK-UHFFFAOYSA-N 0 0 311.316 3.246 1 0 DGAFRN CCCCOc1cc(C(=O)NC(C)C)nn1-c1ccccc1 ZINC000169344152 197744502 /nfs/dbraw/zinc/74/45/02/197744502.db2.gz ZHYNAFGWICHYAQ-UHFFFAOYSA-N 0 0 301.390 3.189 1 0 DGAFRN C[C@@H]1CC(C)(C)C[C@@](O)(c2n[nH]c(-c3ccc(O)cc3)n2)C1 ZINC000103176401 185436887 /nfs/dbraw/zinc/43/68/87/185436887.db2.gz YOJXZVLIHRVDIY-PIGZYNQJSA-N 0 0 301.390 3.211 1 0 DGAFRN Cc1cc(C(N)=O)c(NC(=O)Cc2cccc3ccccc32)s1 ZINC000071317256 190957502 /nfs/dbraw/zinc/95/75/02/190957502.db2.gz YULKUSFUCGNVKR-UHFFFAOYSA-N 0 0 324.405 3.490 1 0 DGAFRN C[C@@H]1Nc2ccc(N3CCCC3)cc2C(=O)N1c1cccc(O)c1 ZINC000072116425 191038407 /nfs/dbraw/zinc/03/84/07/191038407.db2.gz RQGWOUZYWVQTNY-CYBMUJFWSA-N 0 0 323.396 3.411 1 0 DGAFRN Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 ZINC000072173263 191069128 /nfs/dbraw/zinc/06/91/28/191069128.db2.gz OYGFCHMYLMWFSR-RMKNXTFCSA-N 0 0 314.772 3.399 1 0 DGAFRN CCCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc21 ZINC000072178191 191071434 /nfs/dbraw/zinc/07/14/34/191071434.db2.gz ZZZYFYOJEILVNN-UHFFFAOYSA-N 0 0 314.366 3.353 1 0 DGAFRN Nc1nc(N)c2cc(OCc3ccc(Cl)cc3)ccc2n1 ZINC000143996199 186033941 /nfs/dbraw/zinc/03/39/41/186033941.db2.gz VZZGMRCALAEYAI-UHFFFAOYSA-N 0 0 300.749 3.027 1 0 DGAFRN CCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1 ZINC000001356670 180856279 /nfs/dbraw/zinc/85/62/79/180856279.db2.gz QHQINHBWARPCHP-UHFFFAOYSA-N 0 0 316.411 3.328 3 0 DGAFRN COc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(C)cc32)cc1 ZINC000073065200 191276499 /nfs/dbraw/zinc/27/64/99/191276499.db2.gz JZZXOZXCZACODW-UHFFFAOYSA-N 0 0 308.337 3.306 1 0 DGAFRN COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@@]1(C)c1ccccc1 ZINC000073167271 191288046 /nfs/dbraw/zinc/28/80/46/191288046.db2.gz MVFDAGHVAFZJTD-PMACEKPBSA-N 0 0 324.376 3.251 1 0 DGAFRN CC(=O)N[C@]1(c2ccccc2)c2ccccc2N2CCCCN=C21 ZINC000003778752 181045522 /nfs/dbraw/zinc/04/55/22/181045522.db2.gz WEGBGOWQXYUWEF-HXUWFJFHSA-N 0 0 319.408 3.079 1 0 DGAFRN C[C@@H]1CC(=O)NN=C1c1ccc2[nH]c(-c3ccncc3)cc2c1 ZINC000003792944 181046347 /nfs/dbraw/zinc/04/63/47/181046347.db2.gz LSZSXHMIUJQRIG-LLVKDONJSA-N 0 0 304.353 3.090 1 0 DGAFRN O=C1c2ccccc2N(CNc2ccc3ccccc3c2)C1=O ZINC000004361457 181102292 /nfs/dbraw/zinc/10/22/92/181102292.db2.gz RGIFBNSLZLAVPT-UHFFFAOYSA-N 0 0 302.333 3.439 1 0 DGAFRN Fc1ccc(-n2nnc3ccc(N4CCCCCC4)nc32)cc1 ZINC000073280679 191299862 /nfs/dbraw/zinc/29/98/62/191299862.db2.gz DVULYAANBCOKKS-UHFFFAOYSA-N 0 0 311.364 3.335 1 0 DGAFRN COC(=O)[C@H]1[C@@H](OCc2ccccc2)[C@@H]2CC[C@@]1(OC)C=C2C ZINC000005757741 181281340 /nfs/dbraw/zinc/28/13/40/181281340.db2.gz ULJICKZWPMDBRR-VXIBKDFQSA-N 0 0 316.397 3.116 1 0 DGAFRN CCCCCC(=O)OCCOCCOC(=O)CCCCC ZINC000005820124 181287138 /nfs/dbraw/zinc/28/71/38/181287138.db2.gz XSTGQVSZAOQMPN-UHFFFAOYSA-N 0 0 302.411 3.250 1 0 DGAFRN CN1c2nc(Cl)ccc2N(C2CC2)c2ncccc2C1=O ZINC000006481344 181344389 /nfs/dbraw/zinc/34/43/89/181344389.db2.gz YTCYTNDRJXOROV-UHFFFAOYSA-N 0 0 300.749 3.021 1 0 DGAFRN O=C(Cn1ncc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000006750087 181382303 /nfs/dbraw/zinc/38/23/03/181382303.db2.gz MTGNOINPZPCYAY-KRWDZBQOSA-N 0 0 305.381 3.230 1 0 DGAFRN O=S(=O)(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCCC1 ZINC000006930276 181407393 /nfs/dbraw/zinc/40/73/93/181407393.db2.gz LLCDECSMILTRPV-UHFFFAOYSA-N 0 0 318.442 3.221 3 0 DGAFRN CCCc1ccc2oc(C(=O)N3CCC[C@H]3CO)c(C)c2c1 ZINC000011838397 181709243 /nfs/dbraw/zinc/70/92/43/181709243.db2.gz XQEBMFDKPYGOFH-AWEZNQCLSA-N 0 0 301.386 3.291 3 0 DGAFRN CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1 ZINC000015962779 182026711 /nfs/dbraw/zinc/02/67/11/182026711.db2.gz LXKDCMXDCMYIEL-GANFFNEQSA-N 0 0 311.381 3.177 1 0 DGAFRN O=C1[C@@H]2[C@H]3S[C@H](c4ccccc43)[C@@H]2C(=O)N1c1ccccc1 ZINC000018045388 182090220 /nfs/dbraw/zinc/09/02/20/182090220.db2.gz WXWVOJOULGDMST-GEEKYZPCSA-N 0 0 307.374 3.335 1 0 DGAFRN CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccccc1 ZINC000023078796 182347105 /nfs/dbraw/zinc/34/71/05/182347105.db2.gz VZBAULWRFIEHJJ-UHFFFAOYSA-N 0 0 311.381 3.282 3 0 DGAFRN O=C1N(c2ccccc2)c2ccccc2[C@]1(O)Cc1ccncc1 ZINC000026728966 182451662 /nfs/dbraw/zinc/45/16/62/182451662.db2.gz RVYUKLAYLOWHMA-HXUWFJFHSA-N 0 0 316.360 3.190 1 0 DGAFRN CCCc1cc2c(cc1OC)O[C@H](C)[C@@H](n1ccnc1)C2=O ZINC000027408304 182471212 /nfs/dbraw/zinc/47/12/12/182471212.db2.gz VHIOMBVEWNWCOF-BDJLRTHQSA-N 0 0 300.358 3.049 1 0 DGAFRN Cc1nc2c(OCc3ccccc3)cccn2c1CC(N)=S ZINC000027995938 182503143 /nfs/dbraw/zinc/50/31/43/182503143.db2.gz XRHILORJKSLVRM-UHFFFAOYSA-N 0 0 311.410 3.050 1 0 DGAFRN O=C(NCCc1ccccc1)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000028880547 182543576 /nfs/dbraw/zinc/54/35/76/182543576.db2.gz NIQWJOUZIXTUMM-UHFFFAOYSA-N 0 0 321.298 3.404 1 0 DGAFRN COC(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1 ZINC000029556751 182569509 /nfs/dbraw/zinc/56/95/09/182569509.db2.gz VKYYLDREEKEXRF-UHFFFAOYSA-N 0 0 306.325 3.069 1 0 DGAFRN CC(=O)O[C@H]1CC=C2C=C3OC(=O)C(C)=C3[C@H](C)[C@]2(C)[C@H]1C ZINC000029547243 182569640 /nfs/dbraw/zinc/56/96/40/182569640.db2.gz FWWDGTHEWHBBMM-KSSIRIBKSA-N 0 0 302.370 3.298 1 0 DGAFRN O=C(C1CCC1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000035319126 182771023 /nfs/dbraw/zinc/77/10/23/182771023.db2.gz SKWHGYKYQAGZNU-AWEZNQCLSA-N 0 0 315.348 3.339 1 0 DGAFRN Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1 ZINC000035804709 182787966 /nfs/dbraw/zinc/78/79/66/182787966.db2.gz TXEUFNKGSNNRLH-UHFFFAOYSA-N 0 0 310.386 3.243 1 0 DGAFRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000040429542 183066311 /nfs/dbraw/zinc/06/63/11/183066311.db2.gz XZTQLXWQWDMLEJ-SFHVURJKSA-N 0 0 318.376 3.463 1 0 DGAFRN CCCCCC[C@H]([C@@H](C)O)n1cnc(C(=O)NC2CCCC2)c1 ZINC000040632538 183111471 /nfs/dbraw/zinc/11/14/71/183111471.db2.gz GMDIZGQCBDLIEQ-RHSMWYFYSA-N 0 0 321.465 3.448 1 0 DGAFRN CN(C)C(=O)N1Cc2c(F)cccc2[C@H](c2cccc(O)c2)C1 ZINC000040764080 183130175 /nfs/dbraw/zinc/13/01/75/183130175.db2.gz OCIBJWHLBBHGGH-HNNXBMFYSA-N 0 0 314.360 3.160 1 0 DGAFRN O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1cccc(CO)c1 ZINC000040943397 183149596 /nfs/dbraw/zinc/14/95/96/183149596.db2.gz ACOQHHIIQOKTAY-BQJQTIKASA-N 0 0 323.348 3.116 1 0 DGAFRN CCS(=O)(=O)c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000040974005 183153839 /nfs/dbraw/zinc/15/38/39/183153839.db2.gz PINWRFKMGZAVEV-UHFFFAOYSA-N 0 0 305.330 3.428 1 0 DGAFRN CNC1=Nc2ncccc2C(c2cc[nH]c2)=N[C@@H]1c1cccs1 ZINC000040981212 183154391 /nfs/dbraw/zinc/15/43/91/183154391.db2.gz NNSLEHYATBPAJW-OAHLLOKOSA-N 0 0 321.409 3.313 1 0 DGAFRN O=C(Nc1nc2cccc(-c3cccc(Cl)c3)n2n1)C1CC1 ZINC000043195956 183343339 /nfs/dbraw/zinc/34/33/39/183343339.db2.gz PHBDHHUATHARRH-UHFFFAOYSA-N 0 0 312.760 3.398 1 0 DGAFRN O=C1[C@H]2CCCN2[C@H](c2ccccc2F)N1c1ccc(F)cc1 ZINC000058047397 184070474 /nfs/dbraw/zinc/07/04/74/184070474.db2.gz QVCGITUFJPEAIL-SJORKVTESA-N 0 0 314.335 3.475 3 0 DGAFRN Cc1ccccc1NC(=O)Nc1nc([C@@H]2CCC(=O)N2)cs1 ZINC000061903574 184193529 /nfs/dbraw/zinc/19/35/29/184193529.db2.gz JCELUELPQREIKW-NSHDSACASA-N 0 0 316.386 3.047 3 0 DGAFRN CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061904312 184194161 /nfs/dbraw/zinc/19/41/61/184194161.db2.gz KTOMLVGPYSJXJK-QGZVFWFLSA-N 0 0 322.836 3.109 3 0 DGAFRN CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1cccs1 ZINC000061904607 184194347 /nfs/dbraw/zinc/19/43/47/184194347.db2.gz QKGQBUBJVGRICP-MRXNPFEDSA-N 0 0 308.447 3.049 3 0 DGAFRN COc1ccc(F)cc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 ZINC000061907962 184194859 /nfs/dbraw/zinc/19/48/59/184194859.db2.gz XKUGBJMMYKVYPC-UHFFFAOYSA-N 0 0 317.364 3.287 3 0 DGAFRN COc1cc(-c2cc([C@H](C)O)ccc2OC)cc(OC)c1O ZINC000064585762 184300941 /nfs/dbraw/zinc/30/09/41/184300941.db2.gz NBOWNHVLZDCSCC-JTQLQIEISA-N 0 0 304.342 3.138 1 0 DGAFRN Cc1c([C@H](C)OC(=O)N(C)c2ccccc2)sc2ncnn12 ZINC000066251203 184398826 /nfs/dbraw/zinc/39/88/26/184398826.db2.gz IEKLDABYSCMDOV-NSHDSACASA-N 0 0 316.386 3.433 1 0 DGAFRN COC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000066261871 184399814 /nfs/dbraw/zinc/39/98/14/184399814.db2.gz RRBNIVRNNUXLBK-BPHBYIQQSA-N 0 0 316.441 3.482 1 0 DGAFRN Cc1[nH]sc2ncc3c(nn(-c4ccc(Cl)cc4)c3=O)c12 ZINC000137548996 196577103 /nfs/dbraw/zinc/57/71/03/196577103.db2.gz FPIZDZRVERJRIT-UHFFFAOYSA-N 0 0 316.773 3.285 1 0 DGAFRN CN1N=C(c2ccncc2)O[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000001643558 517953418 /nfs/dbraw/zinc/95/34/18/517953418.db2.gz GYIAORFPKPYVLG-CQSZACIVSA-N 0 0 307.275 3.423 1 0 DGAFRN COC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccc(Cl)cc1 ZINC000103221428 517982954 /nfs/dbraw/zinc/98/29/54/517982954.db2.gz HFZUAYMSIBWZNL-LBPRGKRZSA-N 0 0 310.806 3.150 1 0 DGAFRN CC1(C)[C@@H](O)[C@H](O)C[C@@]2(C)[C@@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O ZINC000070455215 560047572 /nfs/dbraw/zinc/04/75/72/560047572.db2.gz RQDMNTGFNDFLHP-WAYOHNBESA-N 0 0 322.489 3.112 1 0 biogenic,in-vitro DGAFRN CC(C)(C)[C@H](O)[C@@H](CCCOc1ccccc1)n1cncn1 ZINC000013548415 560219698 /nfs/dbraw/zinc/21/96/98/560219698.db2.gz UEELDJHOXQEBQT-HZPDHXFCSA-N 0 0 303.406 3.085 1 0 in-vitro DGAFRN C[C@@]12C=C[C@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)C(=O)C[C@@]1(C)[C@@H]3CC2=O ZINC000014859538 571726637 /nfs/dbraw/zinc/72/66/37/571726637.db2.gz KVDLINJXYLXARR-YWVZRHABSA-N 0 0 316.441 3.304 1 0 endogenous,in-man DGAFRN C[C@]12C=C[C@@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)[C@@H](O)C[C@@]1(C)[C@@H]3CC2=O ZINC000100780581 571833690 /nfs/dbraw/zinc/83/36/90/571833690.db2.gz ISQMANNAFDGSCG-MJMBBHLVSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN CCOC(=O)c1cn2ncnc(NCc3ccccc3)c2c1CC ZINC000028524908 581095199 /nfs/dbraw/zinc/09/51/99/581095199.db2.gz FKTDPTZOFGBLDH-UHFFFAOYSA-N 0 0 324.384 3.081 1 0 DGAFRN O=C1c2ccc(O)cc2C(=O)N1c1cccc2c(O)cccc21 ZINC000028818099 581101548 /nfs/dbraw/zinc/10/15/48/581101548.db2.gz MNDVGMQESBSTIH-UHFFFAOYSA-N 0 0 305.289 3.052 1 0 DGAFRN O=C(N1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000001358592 655891175 /nfs/dbraw/zinc/89/11/75/655891175.db2.gz NXQLJPVZDQEJOG-UHFFFAOYSA-N 0 0 312.417 3.348 3 0 DGAFRN CC(C)Cc1ccc([C@@H](C)C(=O)OCCn2ccnc2)cc1 ZINC000072179120 660175090 /nfs/dbraw/zinc/17/50/90/660175090.db2.gz YXJZKBQTONIJAN-OAHLLOKOSA-N 0 0 300.402 3.429 1 0 DGAFRN Cc1cc(C)c2c(n1)sn(CN(C)Cc1ccccc1)c2=O ZINC000473113463 685253682 /nfs/dbraw/zinc/25/36/82/685253682.db2.gz HIQDDYPYHODDTQ-UHFFFAOYSA-N 0 0 313.426 3.164 1 0 DGAFRN CCn1c2ccc(Cl)cc2c(=O)n(CC2CCCCC2)c1=O ZINC000095558303 185380004 /nfs/dbraw/zinc/38/00/04/185380004.db2.gz JEGMLWIINRYQST-UHFFFAOYSA-N 0 0 320.820 3.417 1 0 DGAFRN CC(=O)Nc1nc(C)c(-c2cnc(Nc3cccnc3)o2)s1 ZINC000095563065 185380074 /nfs/dbraw/zinc/38/00/74/185380074.db2.gz REQOWEPXNXAPLK-UHFFFAOYSA-N 0 0 315.358 3.204 1 0 DGAFRN CCc1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(O)c1 ZINC000095575802 185380386 /nfs/dbraw/zinc/38/03/86/185380386.db2.gz XPHJCRSNVXJMRS-UHFFFAOYSA-N 0 0 310.346 3.290 1 0 DGAFRN COc1cc(Cl)cc(Oc2ccnc(N3CCOCC3)c2)c1 ZINC000095578719 185380804 /nfs/dbraw/zinc/38/08/04/185380804.db2.gz NKSJKIJNWTWQTQ-UHFFFAOYSA-N 0 0 320.776 3.373 1 0 DGAFRN CCOc1cccc(Oc2ccnc(N3CCOCC3)c2)c1 ZINC000095577980 185380826 /nfs/dbraw/zinc/38/08/26/185380826.db2.gz GTRSFUSCDQYGJE-UHFFFAOYSA-N 0 0 300.358 3.109 1 0 DGAFRN COC(=O)C1=C(C)O[P@@](=O)(OC)CC[C@H]1c1ccccc1 ZINC000095579144 185380831 /nfs/dbraw/zinc/38/08/31/185380831.db2.gz OVUODHGSBZCOGS-ZSEKCTLFSA-N 0 0 310.286 3.477 1 0 DGAFRN COC(=O)c1c(-c2ccccc2)oc2c1[C@H](OCCO)CCC2 ZINC000095598746 185382274 /nfs/dbraw/zinc/38/22/74/185382274.db2.gz UCEGRGJIJYJPKF-CYBMUJFWSA-N 0 0 316.353 3.120 3 0 DGAFRN Oc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1 ZINC000095601121 185382375 /nfs/dbraw/zinc/38/23/75/185382375.db2.gz IXRXWUHZDNJKKL-UHFFFAOYSA-N 0 0 313.382 3.062 1 0 DGAFRN Nc1nc(-c2ncccn2)nc2sc(Cc3ccccc3)cc21 ZINC000096907795 185390768 /nfs/dbraw/zinc/39/07/68/185390768.db2.gz ZAJVOCNBXNLYGC-UHFFFAOYSA-N 0 0 319.393 3.321 1 0 DGAFRN O=c1oc2ccccc2c2c1[C@@H](c1ccccc1)NC(=S)N2 ZINC000096931712 185392557 /nfs/dbraw/zinc/39/25/57/185392557.db2.gz MKCFDPOPNDOTNB-CQSZACIVSA-N 0 0 308.362 3.182 1 0 DGAFRN CC1=CC[C@@H]2[C@@H](O[C@H](c3cccc(Cl)c3)C[C@]2(C)O)[C@@H]1O ZINC000096933454 185392824 /nfs/dbraw/zinc/39/28/24/185392824.db2.gz IQAKJAXVZGAQBY-JJTUDDRGSA-N 0 0 308.805 3.248 1 0 DGAFRN CNC(=O)[C@@H](OC)c1cccc(COc2cc(C)cc(C)c2)c1 ZINC000103199718 185438135 /nfs/dbraw/zinc/43/81/35/185438135.db2.gz RWRRACYJMXQUIJ-SFHVURJKSA-N 0 0 313.397 3.316 1 0 DGAFRN COc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000138789400 186019094 /nfs/dbraw/zinc/01/90/94/186019094.db2.gz ARIQUGXAOCOSFV-UHFFFAOYSA-N 0 0 319.357 3.195 1 0 DGAFRN Clc1ccc(-c2nc(CN3CCOCC3)co2)c(Cl)c1 ZINC000072181433 191072365 /nfs/dbraw/zinc/07/23/65/191072365.db2.gz LBZILALCZCIIKI-UHFFFAOYSA-N 0 0 313.184 3.481 1 0 DGAFRN Brc1ccccc1-c1nc(CNc2cc[nH]n2)co1 ZINC000072183209 191072531 /nfs/dbraw/zinc/07/25/31/191072531.db2.gz GWARFVQIBKCMAH-UHFFFAOYSA-N 0 0 319.162 3.439 1 0 DGAFRN CC(=O)c1cc2cc(C(=O)NCCC3=CCCCC3)cnc2[nH]1 ZINC000072322863 191122323 /nfs/dbraw/zinc/12/23/23/191122323.db2.gz YSMXSOVQMZJKJH-UHFFFAOYSA-N 0 0 311.385 3.386 2 0 DGAFRN CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCC1=O ZINC000000353530 180764637 /nfs/dbraw/zinc/76/46/37/180764637.db2.gz VJFTWBOGMICELP-LJQANCHMSA-N 0 0 322.408 3.470 3 0 DGAFRN CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 ZINC000003303262 181002282 /nfs/dbraw/zinc/00/22/82/181002282.db2.gz CXIPOZYVHWILNX-UHFFFAOYSA-N 0 0 302.355 3.365 1 0 DGAFRN COc1ccc2nc(C)c3c(C)nc(-c4c(C)noc4C)n3c2n1 ZINC000073159909 191286810 /nfs/dbraw/zinc/28/68/10/191286810.db2.gz COKUDYZZTUTYCB-UHFFFAOYSA-N 0 0 323.356 3.175 1 0 DGAFRN O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CCCN1C2=O ZINC000003591058 181038005 /nfs/dbraw/zinc/03/80/05/181038005.db2.gz KLVYMYQTRZCMLE-CYBMUJFWSA-N 0 0 308.341 3.016 1 0 in-vivo DGAFRN COCCNc1nc(-c2cccc(OC)c2)nc2ccccc21 ZINC000004267526 181090000 /nfs/dbraw/zinc/09/00/00/181090000.db2.gz NGFFKBXZSXYGSI-UHFFFAOYSA-N 0 0 309.369 3.364 1 0 DGAFRN COc1ccc(-n2nnc3ccc(N4CCCCCC4)nc32)cc1 ZINC000073293818 191300716 /nfs/dbraw/zinc/30/07/16/191300716.db2.gz OJFVZRHDFAPBPX-UHFFFAOYSA-N 0 0 323.400 3.205 1 0 DGAFRN COc1cc2nncc(-c3ccc(NC4CC4)nc3)c2cc1OC ZINC000073294771 191300965 /nfs/dbraw/zinc/30/09/65/191300965.db2.gz HZLNDSMTJBCSHU-UHFFFAOYSA-N 0 0 322.368 3.283 1 0 DGAFRN CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 ZINC000073296039 191301591 /nfs/dbraw/zinc/30/15/91/191301591.db2.gz AGLLNFLYGDJDIO-UHFFFAOYSA-N 0 0 308.403 3.366 1 0 DGAFRN C[C@H]1[C@H](NC(=O)c2ccc3c(c2)NC(=O)CS3)CCC[C@@H]1C ZINC000004672043 181134900 /nfs/dbraw/zinc/13/49/00/181134900.db2.gz XRFNWBHSOZPZNX-DMDPSCGWSA-N 0 0 318.442 3.285 1 0 DGAFRN O=[S@](/C=C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000005940599 181299382 /nfs/dbraw/zinc/29/93/82/181299382.db2.gz MMGHXXHLNDNLNB-XETAZDBLSA-N 0 0 318.419 3.296 1 0 DGAFRN O=C1OC[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(O)cc3)N12 ZINC000005957223 181301006 /nfs/dbraw/zinc/30/10/06/181301006.db2.gz UIBKJYMACSEZBK-KPZWWZAWSA-N 0 0 320.348 3.340 1 0 DGAFRN COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OC)cc3O[C@H]21 ZINC000006484837 181345244 /nfs/dbraw/zinc/34/52/44/181345244.db2.gz KIKDCPYSYOMXEJ-YVEFUNNKSA-N 0 0 300.310 3.019 1 0 endogenous,in-man DGAFRN COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OC)cc3O[C@@H]21 ZINC000006484843 181345251 /nfs/dbraw/zinc/34/52/51/181345251.db2.gz KIKDCPYSYOMXEJ-SJCJKPOMSA-N 0 0 300.310 3.019 1 0 endogenous,in-man DGAFRN O=C1N2CCCN2[C@@H](c2cccnc2)N1c1ccc(Cl)cc1 ZINC000006548217 181353068 /nfs/dbraw/zinc/35/30/68/181353068.db2.gz DKKABQRYJMNJIB-OAHLLOKOSA-N 0 0 314.776 3.297 3 0 DGAFRN COc1cc2nc(Nc3cccc(F)c3)nc(N)c2cc1OC ZINC000006791765 181389838 /nfs/dbraw/zinc/38/98/38/181389838.db2.gz WRXWGWYMQPFZIM-UHFFFAOYSA-N 0 0 314.320 3.112 3 0 DGAFRN CC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3)ccc1N[C@@H]2CO ZINC000095878056 193448637 /nfs/dbraw/zinc/44/86/37/193448637.db2.gz CAEJHMWMFOIKHT-NSISKUIASA-N 0 0 322.408 3.050 1 0 DGAFRN CCCCNC(=O)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1 ZINC000008666536 181571291 /nfs/dbraw/zinc/57/12/91/181571291.db2.gz PSJFKSVMGAIBFR-LBPRGKRZSA-N 0 0 315.200 3.403 3 0 DGAFRN O=S1(=O)N[C@H](c2ccccc2)C[C@@H](CC2CCCCC2)O1 ZINC000012472645 181766246 /nfs/dbraw/zinc/76/62/46/181766246.db2.gz ORGISXAYPLMVCE-CVEARBPZSA-N 0 0 309.431 3.321 3 0 DGAFRN COc1cccc(-n2nc(C)c3c2[nH]c2ccccc2c3=O)c1 ZINC000012405811 181758239 /nfs/dbraw/zinc/75/82/39/181758239.db2.gz OWCVCTNSVLUYJX-UHFFFAOYSA-N 0 0 305.337 3.184 1 0 DGAFRN O=C(Nc1cccc2c1CCC[C@@H]2c1c[nH]cn1)C(F)(F)F ZINC000013580174 181864406 /nfs/dbraw/zinc/86/44/06/181864406.db2.gz WNIQCRWLPXLGQD-NSHDSACASA-N 0 0 309.291 3.379 1 0 DGAFRN CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@@H]12 ZINC000017315404 182082639 /nfs/dbraw/zinc/08/26/39/182082639.db2.gz MICZNRRTCUCNTP-WXUOIXNTSA-N 0 0 303.446 3.336 1 0 DGAFRN Cc1ccnc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)c1 ZINC000020509955 182225662 /nfs/dbraw/zinc/22/56/62/182225662.db2.gz UTNBOPCKMUTSMN-UHFFFAOYSA-N 0 0 321.336 3.498 1 0 DGAFRN CC[C@H]1OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 ZINC000027769413 182490763 /nfs/dbraw/zinc/49/07/63/182490763.db2.gz MGLOZSKNQREPSA-OAHLLOKOSA-N 0 0 318.332 3.047 1 0 DGAFRN CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]12 ZINC000029414112 182564452 /nfs/dbraw/zinc/56/44/52/182564452.db2.gz MICZNRRTCUCNTP-FXBLMKAKSA-N 0 0 303.446 3.336 1 0 DGAFRN CC(C)c1cccc(-c2ccc(NC(=O)[C@@](C)([NH3+])CO)cc2)c1 ZINC000040409027 183062046 /nfs/dbraw/zinc/06/20/46/183062046.db2.gz MLGYRPHYLYHXLK-IBGZPJMESA-N 0 0 312.413 3.125 1 0 DGAFRN O[C@]1(c2ccc(-c3cccs3)cc2)CN2CCCC[C@@H]2CO1 ZINC000040861813 183143785 /nfs/dbraw/zinc/14/37/85/183143785.db2.gz DXCCBGQUDIVOAH-SJLPKXTDSA-N 0 0 315.438 3.445 1 0 in-vitro DGAFRN COc1ccc(C2=C(c3ccccn3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000040829582 183139261 /nfs/dbraw/zinc/13/92/61/183139261.db2.gz ZCSWHKDJXIACGP-OAHLLOKOSA-N 0 0 320.392 3.396 1 0 DGAFRN C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(F)C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O ZINC000040896178 183147273 /nfs/dbraw/zinc/14/72/73/183147273.db2.gz QFMBXFUCUUGUFI-RCUSPWIZSA-N 0 0 324.436 3.022 1 0 DGAFRN CCOC(=O)c1c(=O)[nH]c(C)c(CC)c1O[C@@H]1CCC[C@@H](C)C1 ZINC000040974288 183153806 /nfs/dbraw/zinc/15/38/06/183153806.db2.gz VXFNVWORKGQBMR-DGCLKSJQSA-N 0 0 321.417 3.380 1 0 DGAFRN COC(=O)O[C@@H](c1ccccc1)c1ccc(OC(C)=O)cc1 ZINC000040876799 183145437 /nfs/dbraw/zinc/14/54/37/183145437.db2.gz QEJGDPBAAHQBHG-INIZCTEOSA-N 0 0 300.310 3.484 1 0 DGAFRN CCc1sc2[nH]c(N)nc(=O)c2c1Sc1ccc(F)cc1 ZINC000042965744 183324440 /nfs/dbraw/zinc/32/44/40/183324440.db2.gz KQSXADQQPBUVSR-UHFFFAOYSA-N 0 0 321.402 3.420 1 0 DGAFRN COc1ccc(-c2csc([C@](C)(O)c3cccnc3)n2)cc1 ZINC000061904351 184194054 /nfs/dbraw/zinc/19/40/54/184194054.db2.gz WWMQARIANWPNQS-QGZVFWFLSA-N 0 0 312.394 3.470 3 0 DGAFRN CCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061905141 184194351 /nfs/dbraw/zinc/19/43/51/184194351.db2.gz OVZGEXFPVXKZGX-LJQANCHMSA-N 0 0 316.445 3.115 3 0 DGAFRN C[C@H]1NS(=O)(=O)c2cc(Cl)ccc2O[C@@H]1c1ccccc1 ZINC000061924297 184195568 /nfs/dbraw/zinc/19/55/68/184195568.db2.gz AZSTVLMEUGAUHT-BMIGLBTASA-N 0 0 323.801 3.141 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(F)c(C)c1 ZINC000061929715 184196125 /nfs/dbraw/zinc/19/61/25/184196125.db2.gz JCTVLIXSGNCYKL-QGZVFWFLSA-N 0 0 307.365 3.082 3 0 DGAFRN CCCCNC(=O)N1OC[C@H]2CSc3ccc(F)cc3[C@@H]21 ZINC000062225429 184223893 /nfs/dbraw/zinc/22/38/93/184223893.db2.gz KQWKEFISWLJZKO-IINYFYTJSA-N 0 0 310.394 3.346 1 0 DGAFRN COC(=O)c1cccnc1NC(=O)Cc1cccc2ccccc21 ZINC000064560468 184299466 /nfs/dbraw/zinc/29/94/66/184299466.db2.gz AXEYMKDXMBOZEO-UHFFFAOYSA-N 0 0 320.348 3.203 1 0 DGAFRN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000064837507 184304221 /nfs/dbraw/zinc/30/42/21/184304221.db2.gz NPQVJTLWIZJTET-UHFFFAOYSA-N 0 0 320.414 3.051 1 0 DGAFRN c1n[nH]c2ccc(-n3cc(CCCc4ccccc4)nn3)cc12 ZINC000066074513 184387053 /nfs/dbraw/zinc/38/70/53/184387053.db2.gz DCBGVRDAEOIKPQ-UHFFFAOYSA-N 0 0 303.369 3.319 1 0 DGAFRN CCCCNC1=C(c2ccc(Br)cc2)C(=O)OC1 ZINC000066074045 184387123 /nfs/dbraw/zinc/38/71/23/184387123.db2.gz IXLLLSRAGQCRGL-UHFFFAOYSA-N 0 0 310.191 3.107 1 0 DGAFRN O=C(c1cc2cc(O)ccc2[nH]1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000066080266 184387827 /nfs/dbraw/zinc/38/78/27/184387827.db2.gz QMMZEZYXPWFXML-INIZCTEOSA-N 0 0 323.348 3.272 1 0 DGAFRN COC(=O)c1sc2cc(-c3ccc(OC)cc3)cnc2c1N ZINC000066259317 184399408 /nfs/dbraw/zinc/39/94/08/184399408.db2.gz HFMYIKFOVUXODD-UHFFFAOYSA-N 0 0 314.366 3.341 1 0 DGAFRN COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1 ZINC000000427411 286323991 /nfs/dbraw/zinc/32/39/91/286323991.db2.gz RJFUZJVGKOALAH-YJBOKZPZSA-N 0 0 310.353 3.465 1 0 DGAFRN O=C1NC2(CCCCC2)N=C1c1ccc(Br)cc1 ZINC000004891122 280283712 /nfs/dbraw/zinc/28/37/12/280283712.db2.gz CIKXGJGVGPQGLG-UHFFFAOYSA-N 0 0 307.191 3.028 3 0 DGAFRN COc1c(O)c(C)c(OC)c2c1CCc1c(O)cccc1O2 ZINC000013480383 560217282 /nfs/dbraw/zinc/21/72/82/560217282.db2.gz XVMLDDFWHNGJME-UHFFFAOYSA-N 0 0 302.326 3.314 1 0 in-vitro DGAFRN COc1cccc2c1-c1c3c(cc4ccnc(c41)C2=O)OCO3 ZINC000014620135 560223369 /nfs/dbraw/zinc/22/33/69/560223369.db2.gz LENYISKFJJQKGE-UHFFFAOYSA-N 0 0 305.289 3.184 1 0 biogenic,in-vitro DGAFRN COc1ccc(C2=Cc3ccc(O)cc3OC2)c(O)c1OC ZINC000014758919 560225524 /nfs/dbraw/zinc/22/55/24/560225524.db2.gz SZZKTMJLZNFNGL-UHFFFAOYSA-N 0 0 300.310 3.048 1 0 biogenic,in-vitro DGAFRN CCCC/C=C\CCCCCCCC(=O)OC(CO)CO ZINC000032840809 571745511 /nfs/dbraw/zinc/74/55/11/571745511.db2.gz UETKPVCPWANBPE-WAYWQWQTSA-N 0 0 300.439 3.360 1 0 endogenous,in-man DGAFRN CCCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000014970962 581094538 /nfs/dbraw/zinc/09/45/38/581094538.db2.gz PFCDDRUHZAMKHP-INIZCTEOSA-N 0 0 314.337 3.462 1 0 in-vivo DGAFRN Oc1cc([C@@H](O)C(F)(F)F)ccc1Oc1cccc(F)n1 ZINC000095573497 185380513 /nfs/dbraw/zinc/38/05/13/185380513.db2.gz PHHYWTZCLMDQLC-GFCCVEGCSA-N 0 0 303.211 3.314 1 0 DGAFRN CC(C)(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1 ZINC000095580540 185381043 /nfs/dbraw/zinc/38/10/43/185381043.db2.gz ZDPHRSGETFLJQS-UHFFFAOYSA-N 0 0 302.349 3.328 1 0 DGAFRN COc1oc(=O)c2cc(NC(=O)C(C)(C)C)ccc2c1Cl ZINC000095589628 185382157 /nfs/dbraw/zinc/38/21/57/185382157.db2.gz UVSFIAOYZYGGRE-UHFFFAOYSA-N 0 0 309.749 3.440 1 0 DGAFRN CCN1CCc2c(c(C)nn2C(=O)Nc2c(C)cccc2C)C1 ZINC000096917451 185391493 /nfs/dbraw/zinc/39/14/93/185391493.db2.gz WXCPHQPNOOFXMQ-UHFFFAOYSA-N 0 0 312.417 3.267 1 0 DGAFRN CCN1CCc2c(c(C)nn2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000096917463 185391595 /nfs/dbraw/zinc/39/15/95/185391595.db2.gz FXQYAQPSGNCPFD-UHFFFAOYSA-N 0 0 318.808 3.303 1 0 DGAFRN CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000096935258 185392840 /nfs/dbraw/zinc/39/28/40/185392840.db2.gz NUGWVRANOXGIGE-MRXNPFEDSA-N 0 0 315.760 3.283 1 0 DGAFRN CC(C)C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169320069 197740332 /nfs/dbraw/zinc/74/03/32/197740332.db2.gz NXLXCJNXQLZCCH-ADVZIQNASA-N 0 0 308.418 3.490 1 0 DGAFRN O=C(c1ccn(-c2ccc3c(c2)[C@@H](O)OC3)c1)c1ccccc1 ZINC000169333554 197742439 /nfs/dbraw/zinc/74/24/39/197742439.db2.gz IHNRFSMKZAZXFB-IBGZPJMESA-N 0 0 305.333 3.229 1 0 DGAFRN Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000071296782 190953817 /nfs/dbraw/zinc/95/38/17/190953817.db2.gz DJDGOXRZUPDQIW-UHFFFAOYSA-N 0 0 304.353 3.287 1 0 DGAFRN O[C@](c1cncs1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000072102198 191037160 /nfs/dbraw/zinc/03/71/60/191037160.db2.gz FVQQGFCAYFRGGE-OAHLLOKOSA-N 0 0 302.786 3.476 1 0 DGAFRN Fc1cccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1 ZINC000072119654 191039571 /nfs/dbraw/zinc/03/95/71/191039571.db2.gz AJOCWRNYTHRILU-UHFFFAOYSA-N 0 0 301.350 3.300 1 0 DGAFRN Clc1ncnc2c1ncn2C[C@@H]1CSc2ccccc2O1 ZINC000072179358 191070403 /nfs/dbraw/zinc/07/04/03/191070403.db2.gz QPGQZOILNCQDGW-SECBINFHSA-N 0 0 318.789 3.033 1 0 DGAFRN CCOC(=O)c1nn(C(=O)C2CCCCC2)c2ccccc21 ZINC000072178434 191070450 /nfs/dbraw/zinc/07/04/50/191070450.db2.gz PUYLXLCYWHNZKD-UHFFFAOYSA-N 0 0 300.358 3.434 1 0 DGAFRN CCOC(=O)c1nn(CC(=O)c2ccccc2)c2ccccc21 ZINC000072177081 191070723 /nfs/dbraw/zinc/07/07/23/191070723.db2.gz JQZJCTSAHHTJBW-UHFFFAOYSA-N 0 0 308.337 3.096 1 0 DGAFRN CC(=O)c1cc2cc(C(=O)Nc3ccc(N(C)C)cc3)cnc2[nH]1 ZINC000072323897 191121576 /nfs/dbraw/zinc/12/15/76/191121576.db2.gz HGGDEMNZKXDXAW-UHFFFAOYSA-N 0 0 322.368 3.084 2 0 DGAFRN COc1ccc2c(OC)c(OC)nc3c2c1-c1ccccc1C3=O ZINC000013373028 290917611 /nfs/dbraw/zinc/91/76/11/290917611.db2.gz PIFALCMETVNRGQ-UHFFFAOYSA-N 0 0 321.332 3.472 1 0 biogenic,in-vitro DGAFRN COc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000000026245 180670996 /nfs/dbraw/zinc/67/09/96/180670996.db2.gz WVXFQFOSPDKBCO-ZHACJKMWSA-N 0 0 306.358 3.420 1 0 DGAFRN CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@@H]12 ZINC000001688047 180888615 /nfs/dbraw/zinc/88/86/15/180888615.db2.gz MICZNRRTCUCNTP-SDSRHLSHSA-N 0 0 303.446 3.336 1 0 DGAFRN C[C@@H](OC1=NCC(=O)N(C)c2ccc(Cl)cc21)C(F)(F)F ZINC000002032203 180906806 /nfs/dbraw/zinc/90/68/06/180906806.db2.gz ZENMZLBNOCJXSX-SSDOTTSWSA-N 0 0 320.698 3.030 1 0 DGAFRN CC[C@@H](C)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000003377323 181012708 /nfs/dbraw/zinc/01/27/08/181012708.db2.gz UFHWZNRPXNLHAW-SECBINFHSA-N 0 0 303.387 3.351 3 0 DGAFRN O=C(C=Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)n[nH]1 ZINC000073163942 191286529 /nfs/dbraw/zinc/28/65/29/191286529.db2.gz CADOYRXEODKSFS-DHZHZOJOSA-N 0 0 324.771 3.199 1 0 DGAFRN COC(=O)[C@]1(Cc2ccccc2)CC(=O)OC12CCCCC2 ZINC000073170137 191288189 /nfs/dbraw/zinc/28/81/89/191288189.db2.gz GEONBHKWQXUCCZ-KRWDZBQOSA-N 0 0 302.370 3.038 1 0 DGAFRN COc1ccc(-c2cc(-c3ccc(OC)cc3O)nc(N)n2)cc1 ZINC000073258695 191296957 /nfs/dbraw/zinc/29/69/57/191296957.db2.gz MMONQBVOVAPLSQ-UHFFFAOYSA-N 0 0 323.352 3.116 1 0 DGAFRN Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2sccc21 ZINC000004374690 181104456 /nfs/dbraw/zinc/10/44/56/181104456.db2.gz KKJIECGDFVUIQK-UHFFFAOYSA-N 0 0 300.339 3.221 3 0 DGAFRN C[C@H]1[C@H](NC(=O)CCC(=O)NCc2ccccc2)CCC[C@@H]1C ZINC000004616997 181130023 /nfs/dbraw/zinc/13/00/23/181130023.db2.gz WUSXKSAGEZGWMQ-ZMSDIMECSA-N 0 0 316.445 3.024 1 0 DGAFRN COc1ccccc1[C@H]1NC(=O)c2[nH]nc(-c3ccc(C)cc3)c21 ZINC000004928937 181174324 /nfs/dbraw/zinc/17/43/24/181174324.db2.gz ISAHKBJADOTTIK-QGZVFWFLSA-N 0 0 319.364 3.227 1 0 DGAFRN CCCCNC(=O)C1(NC(=O)Nc2ccccc2)CCCCC1 ZINC000004965385 181180559 /nfs/dbraw/zinc/18/05/59/181180559.db2.gz GRXASDOPCJXACH-UHFFFAOYSA-N 0 0 317.433 3.427 3 0 DGAFRN S=C1N=NC(c2ccncc2)N1c1ccc2ncccc2c1 ZINC000005927247 181297469 /nfs/dbraw/zinc/29/74/69/181297469.db2.gz LBFHENIQUZDDQR-UHFFFAOYSA-N 0 0 305.366 3.166 1 0 DGAFRN Nc1nc2occ(CNc3ccc4ccccc4c3)c2c(N)n1 ZINC000005940415 181298955 /nfs/dbraw/zinc/29/89/55/181298955.db2.gz ATJWZZKMVSFLIU-UHFFFAOYSA-N 0 0 305.341 3.153 1 0 DGAFRN CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1F ZINC000006724664 181377261 /nfs/dbraw/zinc/37/72/61/181377261.db2.gz MGHOOUQDTLPPHP-UHFFFAOYSA-N 0 0 324.355 3.344 3 0 DGAFRN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)on1 ZINC000006941843 181408999 /nfs/dbraw/zinc/40/89/99/181408999.db2.gz NLNQSYUWCGPSPD-UHFFFAOYSA-N 0 0 320.414 3.071 1 0 DGAFRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccn1C ZINC000012656950 181786183 /nfs/dbraw/zinc/78/61/83/181786183.db2.gz MDNDDGAMPQNOTB-DZKIICNBSA-N 0 0 321.417 3.186 1 0 DGAFRN CC(C)(C)[C@@H](O)[C@H](CCCOc1ccccc1)n1cncn1 ZINC000013548417 181860779 /nfs/dbraw/zinc/86/07/79/181860779.db2.gz UEELDJHOXQEBQT-HOTGVXAUSA-N 0 0 303.406 3.085 1 0 in-vitro DGAFRN CCCCCc1ccc2c(c1)S(=O)(=O)N=C(NC1CCC1)N2 ZINC000013643910 181872311 /nfs/dbraw/zinc/87/23/11/181872311.db2.gz NOMYSBAUPFJPBI-UHFFFAOYSA-N 0 0 321.446 3.032 1 0 DGAFRN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1)[C@@H]1C=C[C@H]2CC1 ZINC000016383294 182042703 /nfs/dbraw/zinc/04/27/03/182042703.db2.gz LPHDWJWQVGENST-IKARSPCKSA-N 0 0 301.773 3.037 1 0 DGAFRN COc1ccc2c(c1)c1c(n2C)[C@]2(O)c3ccccc3[C@@H]2CC1 ZINC000026576083 182446852 /nfs/dbraw/zinc/44/68/52/182446852.db2.gz QLQKBFUYLSQXIG-PXNSSMCTSA-N 0 0 305.377 3.466 1 0 DGAFRN COc1ccc(N2C(=O)/C(=C\N(C)C)c3ccccc32)cc1F ZINC000027517501 182474091 /nfs/dbraw/zinc/47/40/91/182474091.db2.gz OFMIIEDWSUSJHA-KAMYIIQDSA-N 0 0 312.344 3.415 1 0 DGAFRN CN1C(=O)CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027978680 182501622 /nfs/dbraw/zinc/50/16/22/182501622.db2.gz PKRHETQRLXNXEY-YFJNAFOPSA-N 0 0 305.462 3.211 1 0 DGAFRN COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@H]2n1cnnc1 ZINC000028369522 182521780 /nfs/dbraw/zinc/52/17/80/182521780.db2.gz LMPGZLBYDQUITL-DLBZAZTESA-N 0 0 307.353 3.400 1 0 DGAFRN CC1=Nc2ncnn2[C@@H](c2cccc(F)c2)C1C(=O)OC(C)C ZINC000101483381 193813998 /nfs/dbraw/zinc/81/39/98/193813998.db2.gz VDHWJEDSLINIDX-MRPLLJTBSA-N 0 0 316.336 3.307 1 0 aggregator DGAFRN CCOC(=O)c1cn2c(cc(Cl)c3ccc(OC)cc32)n1 ZINC000039281636 183015686 /nfs/dbraw/zinc/01/56/86/183015686.db2.gz YIUPWXITIZRYGM-UHFFFAOYSA-N 0 0 304.733 3.326 1 0 DGAFRN CCS(=O)(=O)c1ccc2oc(Cc3ccc(F)cc3)nc2c1 ZINC000040425056 183065373 /nfs/dbraw/zinc/06/53/73/183065373.db2.gz BGDIQSHOZXNTIY-UHFFFAOYSA-N 0 0 319.357 3.351 1 0 DGAFRN Oc1ccc(Cc2nnc3ccc(-c4ccsc4)nn32)cc1 ZINC000040429062 183065938 /nfs/dbraw/zinc/06/59/38/183065938.db2.gz LRCUPNMGFPJMTL-UHFFFAOYSA-N 0 0 308.366 3.149 1 0 DGAFRN COc1ccc(C2=C(c3ccccn3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000040829584 183139297 /nfs/dbraw/zinc/13/92/97/183139297.db2.gz ZCSWHKDJXIACGP-HNNXBMFYSA-N 0 0 320.392 3.396 1 0 DGAFRN Cc1ccc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2n1 ZINC000040829431 183139621 /nfs/dbraw/zinc/13/96/21/183139621.db2.gz PYJOUFUNFCNSTM-UHFFFAOYSA-N 0 0 310.328 3.318 1 0 DGAFRN C[C@]1(O)CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1[C@@](C)(CO)C[C@H](O)C[C@@]13C ZINC000040834784 183140511 /nfs/dbraw/zinc/14/05/11/183140511.db2.gz ONRGVTRXILNWOF-CZPVDLIWSA-N 0 0 322.489 3.113 1 0 DGAFRN CC[C@]1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O ZINC000040918791 183148705 /nfs/dbraw/zinc/14/87/05/183148705.db2.gz ZVPGMJGYTJDZPZ-CYBMUJFWSA-N 0 0 301.173 3.496 1 0 DGAFRN CC[C@@]1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O ZINC000040918792 183149384 /nfs/dbraw/zinc/14/93/84/183149384.db2.gz ZVPGMJGYTJDZPZ-ZDUSSCGKSA-N 0 0 301.173 3.496 1 0 DGAFRN O=C(NCC1CCCCC1)c1ccc(C(=O)C(F)(F)F)cn1 ZINC000042878113 183316280 /nfs/dbraw/zinc/31/62/80/183316280.db2.gz XAXXDDUFNCNSTQ-UHFFFAOYSA-N 0 0 314.307 3.137 1 0 DGAFRN O=c1cc(CSC(=S)N2CCCC2)oc2ccccc12 ZINC000043020824 183329651 /nfs/dbraw/zinc/32/96/51/183329651.db2.gz PTOCBPNQBKMDMZ-UHFFFAOYSA-N 0 0 305.424 3.407 1 0 DGAFRN O=c1oc(Oc2ccc(Cl)cc2)nn1-c1ccc(O)cc1F ZINC000043206283 183344023 /nfs/dbraw/zinc/34/40/23/183344023.db2.gz NEIJHABNKRJMLU-UHFFFAOYSA-N 0 0 322.679 3.116 1 0 DGAFRN O=C1Cc2cnc(Nc3ccc(O)cc3)nc2-c2ccccc2N1 ZINC000045390552 183503339 /nfs/dbraw/zinc/50/33/39/183503339.db2.gz UJPRBQDQQHDOGH-UHFFFAOYSA-N 0 0 318.336 3.087 1 0 DGAFRN COc1ccccc1[C@H](Cc1coc2nc(N)nc(N)c12)C1CC1 ZINC000045391899 183503483 /nfs/dbraw/zinc/50/34/83/183503483.db2.gz ABOUXXMKTJTICI-CYBMUJFWSA-N 0 0 324.384 3.132 1 0 DGAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccs2)cc1 ZINC000058046286 184070623 /nfs/dbraw/zinc/07/06/23/184070623.db2.gz WSGCITCDIYWVOQ-GDBMZVCRSA-N 0 0 314.410 3.267 3 0 DGAFRN CC1(C)CNc2cc(O)c(C(=O)N3Cc4ccccc4C3)cc21 ZINC000058575992 184122632 /nfs/dbraw/zinc/12/26/32/184122632.db2.gz ATFBTSVSJAEVMV-UHFFFAOYSA-N 0 0 308.381 3.251 1 0 in-vitro DGAFRN Clc1ccc(Nc2nnc(NCc3ccccc3)nn2)cc1 ZINC000058581961 184123417 /nfs/dbraw/zinc/12/34/17/184123417.db2.gz FIXWKBBJZDOOSO-UHFFFAOYSA-N 0 0 312.764 3.276 1 0 DGAFRN CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061905325 184194214 /nfs/dbraw/zinc/19/42/14/184194214.db2.gz NHSWMLLQPWCCAW-FQEVSTJZSA-N 0 0 324.424 3.218 3 0 DGAFRN Cc1ccccc1NC(=O)N1Cc2cnnn2-c2ccccc2C1 ZINC000061924148 184195697 /nfs/dbraw/zinc/19/56/97/184195697.db2.gz DZPJPCZUSUMADS-UHFFFAOYSA-N 0 0 319.368 3.123 3 0 DGAFRN O[C@H](c1nc(-c2ccc3c(c2)OCO3)cs1)c1cccnc1 ZINC000061928473 184196144 /nfs/dbraw/zinc/19/61/44/184196144.db2.gz BNZBZGLLEFPMRW-HNNXBMFYSA-N 0 0 312.350 3.016 3 0 DGAFRN c1nc(CCO[C@H]2CCCCO2)cc2cc3c(cc12)OCO3 ZINC000061968968 184198941 /nfs/dbraw/zinc/19/89/41/184198941.db2.gz RPVJCUALGUABSP-KRWDZBQOSA-N 0 0 301.342 3.049 3 0 DGAFRN FC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 ZINC000064540647 184299355 /nfs/dbraw/zinc/29/93/55/184299355.db2.gz GNFYFIBMOWINMR-UHFFFAOYSA-N 0 0 321.262 3.305 1 0 DGAFRN COc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)nc1 ZINC000066076821 184386885 /nfs/dbraw/zinc/38/68/85/184386885.db2.gz VZFFIMJECFTMDQ-LLVKDONJSA-N 0 0 304.777 3.164 1 0 DGAFRN COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1 ZINC000066112970 184390577 /nfs/dbraw/zinc/39/05/77/184390577.db2.gz KTUFSKAFSWAPTL-UHFFFAOYSA-N 0 0 320.352 3.296 1 0 DGAFRN CCOC(=O)c1cn(-c2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000585144285 400128833 /nfs/dbraw/zinc/12/88/33/400128833.db2.gz KKIOSICCUZPKIC-UHFFFAOYSA-N 0 0 319.670 3.116 2 0 DGAFRN C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]1CC3 ZINC000084153850 560046208 /nfs/dbraw/zinc/04/62/08/560046208.db2.gz GLYCFUXCSVKFRB-CSMKTOTHSA-N 0 0 322.489 3.112 1 0 biogenic,in-vitro DGAFRN CC(=O)N1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 ZINC000014687788 571719654 /nfs/dbraw/zinc/71/96/54/571719654.db2.gz XVIHBNVDAPQBRH-OAHLLOKOSA-N 0 0 307.349 3.084 1 0 endogenous,in-man DGAFRN Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3ccccc3)cc2)cc1=O ZINC000095555556 185379604 /nfs/dbraw/zinc/37/96/04/185379604.db2.gz DBMVKTRRCAVWIY-IRXDYDNUSA-N 0 0 317.392 3.301 1 0 DGAFRN COc1cc(C)cc(Oc2ccnc(N3CCOCC3)c2)c1 ZINC000095573271 185380399 /nfs/dbraw/zinc/38/03/99/185380399.db2.gz HDIPXGADWSHHGU-UHFFFAOYSA-N 0 0 300.358 3.028 1 0 DGAFRN CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c1ncnc2N ZINC000095583191 185381252 /nfs/dbraw/zinc/38/12/52/185381252.db2.gz VYDBKDXQXXHCLQ-UHFFFAOYSA-N 0 0 315.808 3.408 1 0 DGAFRN O=C(NCCC1CCCCC1)Nc1ccc2[nH]c(=O)oc2c1 ZINC000095580681 185381263 /nfs/dbraw/zinc/38/12/63/185381263.db2.gz PHTMUKJSXZGYLW-UHFFFAOYSA-N 0 0 303.362 3.213 1 0 DGAFRN Cc1c(C(=O)Nc2ccncc2)nn(C)c1-c1ccc(F)cc1 ZINC000095603187 185382385 /nfs/dbraw/zinc/38/23/85/185382385.db2.gz ZAJNXWBAJTVQLV-UHFFFAOYSA-N 0 0 310.332 3.182 1 0 DGAFRN COc1ccc(/C=C/S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000096908654 185390908 /nfs/dbraw/zinc/39/09/08/185390908.db2.gz JWGZJPFPYVTQPZ-VAWYXSNFSA-N 0 0 319.382 3.116 1 0 DGAFRN CCOC(=O)c1c(N)scc1-c1cccc(NC(C)=O)c1 ZINC000096929344 185392192 /nfs/dbraw/zinc/39/21/92/185392192.db2.gz LVZYLFPEJUUXAU-UHFFFAOYSA-N 0 0 304.371 3.132 1 0 DGAFRN COc1ccc([C@@H]2NC(=O)Nc3c4ccccc4oc(=O)c32)cc1 ZINC000096931744 185392410 /nfs/dbraw/zinc/39/24/10/185392410.db2.gz PJYKYQYYKZFYQC-HNNXBMFYSA-N 0 0 322.320 3.026 1 0 DGAFRN O=c1oc2ccccc2c2c1[C@H](c1ccccc1)NC(=S)N2 ZINC000096931714 185392574 /nfs/dbraw/zinc/39/25/74/185392574.db2.gz MKCFDPOPNDOTNB-AWEZNQCLSA-N 0 0 308.362 3.182 1 0 DGAFRN O=c1[nH]c2ncc(-c3ccccc3)nc2n1CC1CCCCC1 ZINC000082154997 192362254 /nfs/dbraw/zinc/36/22/54/192362254.db2.gz DYPAWPXIWPUQON-UHFFFAOYSA-N 0 0 308.385 3.367 1 0 DGAFRN C[C@@H]1C[C@H]2CN3[C@@](CC[C@]4(C)[C@@]5(C)CCC[C@@]34OC(=O)C5)(C1)O2 ZINC000169352665 197745517 /nfs/dbraw/zinc/74/55/17/197745517.db2.gz HPQRXGNIEYOBRA-VKZBYCENSA-N 0 0 319.445 3.447 1 0 DGAFRN CCN1c2c(=O)ssc2Sc2ssc(=O)c21 ZINC000138301892 186015889 /nfs/dbraw/zinc/01/58/89/186015889.db2.gz OAWCFFKDGCRPDI-UHFFFAOYSA-N 0 0 307.468 3.276 1 0 DGAFRN CC(C)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072101394 191037210 /nfs/dbraw/zinc/03/72/10/191037210.db2.gz UMIYDJABOQOTHY-AWEZNQCLSA-N 0 0 323.318 3.357 1 0 DGAFRN CC(C)(C)n1cc([C@H](O)c2ccc3c(c2)C=CC(C)(C)O3)nn1 ZINC000072182025 191071769 /nfs/dbraw/zinc/07/17/69/191071769.db2.gz BDPVJXVYZZHAJP-MRXNPFEDSA-N 0 0 313.401 3.299 1 0 DGAFRN CCC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072184606 191072698 /nfs/dbraw/zinc/07/26/98/191072698.db2.gz LVMWIMJFZLLZAB-AWEZNQCLSA-N 0 0 309.291 3.111 1 0 DGAFRN COc1c(NC(=O)[C@@H](C)F)cccc1C(=O)Nc1ccccc1 ZINC000084669658 192453333 /nfs/dbraw/zinc/45/33/33/192453333.db2.gz YAAYVANRMMJHJO-LLVKDONJSA-N 0 0 316.332 3.244 1 0 DGAFRN C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)c3ncccc23)C[C@H](C)O1 ZINC000072323679 191121759 /nfs/dbraw/zinc/12/17/59/191121759.db2.gz IOUNVYKEBFXHMA-BETUJISGSA-N 0 0 315.417 3.041 2 0 DGAFRN CCOc1ccc(NC(=O)c2cnc3cc(C(C)=O)[nH]c3c2)cc1 ZINC000072323382 191122019 /nfs/dbraw/zinc/12/20/19/191122019.db2.gz JECJAIFCKKHPGS-UHFFFAOYSA-N 0 0 323.352 3.417 2 0 DGAFRN CCCn1c(C)cc(=O)c2cc(NC(=O)c3ccccn3)ccc21 ZINC000000269771 180743904 /nfs/dbraw/zinc/74/39/04/180743904.db2.gz IAYKQPNVDHDVPN-UHFFFAOYSA-N 0 0 321.380 3.367 3 0 DGAFRN CCOC(=O)c1cc2ccc3[nH]c(C(=O)OCC)cc3c2[nH]1 ZINC000001650333 180884272 /nfs/dbraw/zinc/88/42/72/180884272.db2.gz CVFUUPDCCYVRID-UHFFFAOYSA-N 0 0 300.314 3.003 1 0 DGAFRN CC(=O)n1nc(-c2nc3ccccc3nc2Cl)cc1Cl ZINC000001658519 180885144 /nfs/dbraw/zinc/88/51/44/180885144.db2.gz QSTYJADXJPMKFH-UHFFFAOYSA-N 0 0 307.140 3.460 1 0 DGAFRN COc1ccc(NC(=O)C(=O)c2c[nH]c3c2cccc3C)cc1 ZINC000073138608 191282995 /nfs/dbraw/zinc/28/29/95/191282995.db2.gz QRDPRGIEPRXPMS-UHFFFAOYSA-N 0 0 308.337 3.306 1 0 DGAFRN COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@@H]1c1ccccc1 ZINC000073164466 191286693 /nfs/dbraw/zinc/28/66/93/191286693.db2.gz UPUZVXGBHBLVLR-MJGOQNOKSA-N 0 0 310.349 3.077 1 0 DGAFRN COc1ccc([C@@H]2CCN(C(C)=O)C2)cc1OC1CCCC1 ZINC000003811813 181045856 /nfs/dbraw/zinc/04/58/56/181045856.db2.gz WRQNZULTUIAUAK-OAHLLOKOSA-N 0 0 303.402 3.352 1 0 DGAFRN Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(CO)c1 ZINC000003815366 181046765 /nfs/dbraw/zinc/04/67/65/181046765.db2.gz YHRRFPHKXXYHDL-UHFFFAOYSA-N 0 0 316.364 3.162 1 0 DGAFRN Fc1cccc(Cl)c1CCNC(=S)Nc1nccs1 ZINC000003833870 181048061 /nfs/dbraw/zinc/04/80/61/181048061.db2.gz DLYWQFUMFDBURV-UHFFFAOYSA-N 0 0 315.826 3.465 1 0 in-vivo DGAFRN Cc1ccnc2c1cccc2N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000004004115 181061371 /nfs/dbraw/zinc/06/13/71/181061371.db2.gz JQBCHOWMNYKZNR-LROULRCXSA-N 0 0 318.376 3.245 1 0 DGAFRN Cc1cccc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1C ZINC000004018991 181063114 /nfs/dbraw/zinc/06/31/14/181063114.db2.gz ZHDJWFYCSQAZQR-KRWDZBQOSA-N 0 0 322.408 3.258 1 0 DGAFRN CSC1=NCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004119749 181075983 /nfs/dbraw/zinc/07/59/83/181075983.db2.gz OKEDEPUALSBEDC-UHFFFAOYSA-N 0 0 312.822 3.059 3 0 DGAFRN CCCCC(=O)N1N=C(c2cc(OC)ccc2N)SC1(C)C ZINC000073292976 191301322 /nfs/dbraw/zinc/30/13/22/191301322.db2.gz YZAFKWOSISTHQZ-UHFFFAOYSA-N 0 0 321.446 3.441 1 0 DGAFRN O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1c(F)cccc1F ZINC000004870055 181167103 /nfs/dbraw/zinc/16/71/03/181167103.db2.gz TWCSGDZTDOCUPC-QJPTWQEYSA-N 0 0 323.339 3.273 1 0 DGAFRN CC1=C(C(=O)N2C[C@@H](C)C[C@H](C)C2)C2(CCC(C)CC2)OC1=O ZINC000005058815 181198743 /nfs/dbraw/zinc/19/87/43/181198743.db2.gz BAFJTKICLOHFAD-AWTNTWDUSA-N 0 0 319.445 3.313 1 0 DGAFRN Cc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1 ZINC000005242476 181220438 /nfs/dbraw/zinc/22/04/38/181220438.db2.gz SOAOSIURSZUUTN-UHFFFAOYSA-N 0 0 307.382 3.007 1 0 DGAFRN CCc1cc(CCc2cc(CC)c(C)[nH]c2=O)c(OC)nc1C ZINC000005847321 181289424 /nfs/dbraw/zinc/28/94/24/181289424.db2.gz AFXWBBROMDHMPD-UHFFFAOYSA-N 0 0 314.429 3.305 1 0 DGAFRN COc1c(C)c(O)c(C=O)c2c1[C@H](O)C[C@@H](c1ccccc1)O2 ZINC000006068788 181310620 /nfs/dbraw/zinc/31/06/20/181310620.db2.gz DAAVAQORZATFQC-KGLIPLIRSA-N 0 0 314.337 3.079 1 0 DGAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OC)cc3O[C@@H]21 ZINC000006484855 181345011 /nfs/dbraw/zinc/34/50/11/181345011.db2.gz KIKDCPYSYOMXEJ-PXAZEXFGSA-N 0 0 300.310 3.019 1 0 endogenous,in-man DGAFRN C[C@@H](NC(=O)N1C(=O)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000006494421 181345783 /nfs/dbraw/zinc/34/57/83/181345783.db2.gz IHJQOIRUFRQAPK-PBHICJAKSA-N 0 0 308.381 3.301 1 0 DGAFRN Nc1cc(Cl)nc([S@@](=O)Cc2ccc3ccccc3c2)n1 ZINC000006584507 181356979 /nfs/dbraw/zinc/35/69/79/181356979.db2.gz XVEKUXWUWKCKCI-OAQYLSRUSA-N 0 0 317.801 3.173 1 0 DGAFRN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccn1 ZINC000006781498 181387605 /nfs/dbraw/zinc/38/76/05/181387605.db2.gz KKLXXYPJRUNJPG-UHFFFAOYSA-N 0 0 309.344 3.454 1 0 DGAFRN Cc1ccc(NC(=O)C[C@@H]2Oc3ccc(C)cc3NC2=O)c(C)c1 ZINC000006805754 181391926 /nfs/dbraw/zinc/39/19/26/181391926.db2.gz QGXQBDLZWNDXHK-KRWDZBQOSA-N 0 0 324.380 3.340 3 0 DGAFRN COc1ccc(/C(=C\c2cc(OC)cc(OC)c2)CO)cc1 ZINC000096284009 193609147 /nfs/dbraw/zinc/60/91/47/193609147.db2.gz LYFYYDWZXHECEM-NVNXTCNLSA-N 0 0 300.354 3.245 1 0 DGAFRN O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCCC1 ZINC000011821549 181708353 /nfs/dbraw/zinc/70/83/53/181708353.db2.gz KAEPEHRFCSWKBY-UHFFFAOYSA-N 0 0 323.352 3.038 3 0 DGAFRN CC(C)c1nc2cc(C(=O)N[C@H](C)c3cnn(C)c3)ccc2o1 ZINC000011843068 181710455 /nfs/dbraw/zinc/71/04/55/181710455.db2.gz GZXLYJREORRXLS-LLVKDONJSA-N 0 0 312.373 3.176 3 0 DGAFRN C[C@@]1(c2nnc(-c3ccncc3)o2)CC(c2ccccc2)=NO1 ZINC000012726904 181790849 /nfs/dbraw/zinc/79/08/49/181790849.db2.gz UDXVBDNVOFNYGT-KRWDZBQOSA-N 0 0 306.325 3.171 3 0 DGAFRN COc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000013111134 181828430 /nfs/dbraw/zinc/82/84/30/181828430.db2.gz SFIYCVMXQGQIRF-UHFFFAOYSA-N 0 0 311.337 3.221 3 0 DGAFRN COc1ccccc1N1CCc2c1c1cccc(OC)c1[nH]c2=O ZINC000013454958 181852315 /nfs/dbraw/zinc/85/23/15/181852315.db2.gz BBLXQPCJKOLSTQ-UHFFFAOYSA-N 0 0 322.364 3.240 1 0 DGAFRN COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1 ZINC000013474348 181854201 /nfs/dbraw/zinc/85/42/01/181854201.db2.gz GGESSWUOGJXGCX-UHFFFAOYSA-N 0 0 324.380 3.106 1 0 DGAFRN CCCCC(=O)N1CCN([C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000013488635 181855487 /nfs/dbraw/zinc/85/54/87/181855487.db2.gz IMAGNVIQYBEOGL-GOSISDBHSA-N 0 0 316.445 3.017 1 0 DGAFRN NC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1C1CCCCC1 ZINC000013492182 181856210 /nfs/dbraw/zinc/85/62/10/181856210.db2.gz KFCQCBGRIOOTRN-UHFFFAOYSA-N 0 0 310.357 3.159 1 0 DGAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(N)sc3n2)c(C)c1 ZINC000013533797 181859056 /nfs/dbraw/zinc/85/90/56/181859056.db2.gz YMQQJSXBCNUNFF-UHFFFAOYSA-N 0 0 312.398 3.451 1 0 DGAFRN CC(C)[C@H]1CS[C@@H]2N1C(=O)[C@@]2(OCc1ccccc1)C1CC1 ZINC000017223701 182080460 /nfs/dbraw/zinc/08/04/60/182080460.db2.gz PVAYOPQURUHFJD-NJAFHUGGSA-N 0 0 317.454 3.292 1 0 DGAFRN CC(C)[C@@H]1CS[C@H]2N1C(=O)[C@@]2(OCc1ccccc1)C1CC1 ZINC000017223704 182080480 /nfs/dbraw/zinc/08/04/80/182080480.db2.gz PVAYOPQURUHFJD-JQHSSLGASA-N 0 0 317.454 3.292 1 0 DGAFRN Cc1cc(-c2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)on1 ZINC000020580065 182234668 /nfs/dbraw/zinc/23/46/68/182234668.db2.gz YHVCKLHPZRASNG-UHFFFAOYSA-N 0 0 308.403 3.035 1 0 DGAFRN CCn1c(C)c2c(=O)onc-2c2ccc(-c3ccncc3)cc21 ZINC000026570891 182445751 /nfs/dbraw/zinc/44/57/51/182445751.db2.gz CQRVUKMOLKKCAJ-UHFFFAOYSA-N 0 0 305.337 3.485 1 0 DGAFRN Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccccn1 ZINC000028357514 182521430 /nfs/dbraw/zinc/52/14/30/182521430.db2.gz DCNFOZPTCDBWRR-UHFFFAOYSA-N 0 0 318.423 3.426 1 0 DGAFRN COc1cc2c(cc1OC)[C@H](CC(=O)Nc1ccncc1)CC2 ZINC000028826657 182540810 /nfs/dbraw/zinc/54/08/10/182540810.db2.gz AZBCQXWGTNGRPQ-ZDUSSCGKSA-N 0 0 312.369 3.157 1 0 DGAFRN CCCOC(=O)N1CC[C@@H]2Nc3cc(C)c(OC)c(C)c3[C@@H]2C1 ZINC000040564884 183102960 /nfs/dbraw/zinc/10/29/60/183102960.db2.gz VEUIHXXXVCDPPQ-KGLIPLIRSA-N 0 0 318.417 3.442 1 0 DGAFRN O=C1NC(=O)C(=Cc2ccc(-c3ccccc3O)s2)S1 ZINC000040566746 183103735 /nfs/dbraw/zinc/10/37/35/183103735.db2.gz NJHZBRVFFMLILK-GHXNOFRVSA-N 0 0 303.364 3.445 1 0 DGAFRN CC(=O)N1N=C2c3cc(C)ccc3OC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000040584367 183105316 /nfs/dbraw/zinc/10/53/16/183105316.db2.gz RXIKMWLNXUCMHZ-LPHOPBHVSA-N 0 0 324.355 3.450 1 0 DGAFRN Fc1cccc(CNc2nnc(-c3ccc4c(c3)CCO4)o2)c1 ZINC000040845715 183141065 /nfs/dbraw/zinc/14/10/65/183141065.db2.gz VCWXJYNTVAUYKL-UHFFFAOYSA-N 0 0 311.316 3.423 1 0 DGAFRN COCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000040715159 183122632 /nfs/dbraw/zinc/12/26/32/183122632.db2.gz DSCFTOLIPUHQPX-UHFFFAOYSA-N 0 0 317.732 3.128 1 0 DGAFRN CCOC(=O)c1cnc2c(cnn2CC)c1Nc1ccccc1 ZINC000040895706 183147379 /nfs/dbraw/zinc/14/73/79/183147379.db2.gz JHNMCXQHWMGKHQ-UHFFFAOYSA-N 0 0 310.357 3.372 1 0 DGAFRN CN(C)Cc1cc(F)ccc1Oc1ccc([S@@](C)=O)cc1 ZINC000040950990 183150626 /nfs/dbraw/zinc/15/06/26/183150626.db2.gz HQGXPNMHFCEADD-NRFANRHFSA-N 0 0 307.390 3.417 1 0 DGAFRN CCCOc1oc(=O)c2ccccc2c1C(=O)C(F)(F)F ZINC000040957158 183151421 /nfs/dbraw/zinc/15/14/21/183151421.db2.gz DKBRPAXVJUOPKK-UHFFFAOYSA-N 0 0 300.232 3.327 1 0 DGAFRN CCCc1nc2sc3c(c2c2n[nH]c(=S)n21)CCCC3 ZINC000040972274 183153415 /nfs/dbraw/zinc/15/34/15/183153415.db2.gz CNQQQZIFXJLOOA-UHFFFAOYSA-N 0 0 304.444 3.459 1 0 DGAFRN O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@H]1COc2ccccc2C1 ZINC000040860311 183144314 /nfs/dbraw/zinc/14/43/14/183144314.db2.gz JJJJNDXIYADPOU-OAHLLOKOSA-N 0 0 319.364 3.267 1 0 DGAFRN CC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000042923289 183318881 /nfs/dbraw/zinc/31/88/81/183318881.db2.gz MKFZSEPJRCRABZ-UHFFFAOYSA-N 0 0 311.360 3.437 1 0 DGAFRN COC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000043065741 183333669 /nfs/dbraw/zinc/33/36/69/183333669.db2.gz QESMTMDLEUQBEY-LBPRGKRZSA-N 0 0 317.389 3.180 1 0 DGAFRN Nc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)c1 ZINC000043078043 183334312 /nfs/dbraw/zinc/33/43/12/183334312.db2.gz RVBRFMSEHNINPW-UHFFFAOYSA-N 0 0 301.353 3.456 1 0 DGAFRN OCc1c(CO)c(-c2ccc(F)cc2)n2c1Cc1ccccc1-2 ZINC000043077989 183334331 /nfs/dbraw/zinc/33/43/31/183334331.db2.gz OHLDIVUXTCMWFC-UHFFFAOYSA-N 0 0 309.340 3.172 1 0 DGAFRN O=c1cc(-c2cnc3ccccc3c2)[nH]c2cc3c(cc12)OCO3 ZINC000043075837 183334483 /nfs/dbraw/zinc/33/44/83/183334483.db2.gz SHLBSUFOMVVWBC-UHFFFAOYSA-N 0 0 316.316 3.472 1 0 DGAFRN COc1c(Cl)cnn(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000045339959 183499238 /nfs/dbraw/zinc/49/92/38/183499238.db2.gz DVLJXVZOXUSCEV-UHFFFAOYSA-N 0 0 305.548 3.201 1 0 DGAFRN C[C@@]1(CO)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@]3(C)O ZINC000045506383 183512651 /nfs/dbraw/zinc/51/26/51/183512651.db2.gz ONRGVTRXILNWOF-GWLLLGGASA-N 0 0 322.489 3.113 1 0 DGAFRN Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 ZINC000049792606 183758736 /nfs/dbraw/zinc/75/87/36/183758736.db2.gz CQKLVBPHLDZQRV-UHFFFAOYSA-N 0 0 320.352 3.487 1 0 DGAFRN O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1nccs1 ZINC000049669392 183753463 /nfs/dbraw/zinc/75/34/63/183753463.db2.gz QPCVGZYTVXPYST-OLZOCXBDSA-N 0 0 319.817 3.306 3 0 DGAFRN O=C(Nc1ncnc2[nH]c(-c3cccc(Cl)c3)nc21)C1CC1 ZINC000058576147 184122629 /nfs/dbraw/zinc/12/26/29/184122629.db2.gz QVEFHSLUPYWECQ-UHFFFAOYSA-N 0 0 313.748 3.022 1 0 DGAFRN Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(O)c(C)c3)ccc12 ZINC000058582973 184123555 /nfs/dbraw/zinc/12/35/55/184123555.db2.gz GRUTUHCQUJCYQE-UHFFFAOYSA-N 0 0 305.337 3.165 1 0 DGAFRN COc1cccc(Nc2nc(N)nc3[nH]c4ccccc4c32)c1 ZINC000059184180 184135053 /nfs/dbraw/zinc/13/50/53/184135053.db2.gz RYCIEMZPELZREF-UHFFFAOYSA-N 0 0 305.341 3.446 1 0 DGAFRN COc1ccc(-c2csc([C@](C)(O)c3ccccc3)n2)cn1 ZINC000061902977 184193488 /nfs/dbraw/zinc/19/34/88/184193488.db2.gz LLPOKSONYMISSK-QGZVFWFLSA-N 0 0 312.394 3.470 3 0 DGAFRN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000061926299 184195577 /nfs/dbraw/zinc/19/55/77/184195577.db2.gz RVYPWGJNMMBBIV-GFCCVEGCSA-N 0 0 309.793 3.145 3 0 DGAFRN Cc1cc(F)ccc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 ZINC000061928189 184196415 /nfs/dbraw/zinc/19/64/15/184196415.db2.gz MPSSWFSZBACYNS-UHFFFAOYSA-N 0 0 309.344 3.454 3 0 DGAFRN C=C(C1=CCN([S@@](=O)C(C)(C)C)[C@H]1CCO)c1ccccc1 ZINC000061943229 184198063 /nfs/dbraw/zinc/19/80/63/184198063.db2.gz IJISTZMVBMMVKJ-HTAPYJJXSA-N 0 0 319.470 3.155 3 0 DGAFRN CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc2ccccc2c1 ZINC000061896245 184193171 /nfs/dbraw/zinc/19/31/71/184193171.db2.gz NEJWFKWKJITHNA-IBGZPJMESA-N 0 0 311.381 3.398 3 0 DGAFRN COCCCNC(=O)c1cccc2c1Cc1ccccc1N=C2 ZINC000064549103 184299674 /nfs/dbraw/zinc/29/96/74/184299674.db2.gz GPPVVEBKNSUIIE-UHFFFAOYSA-N 0 0 308.381 3.108 1 0 DGAFRN CCCNC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 ZINC000064622015 184301734 /nfs/dbraw/zinc/30/17/34/184301734.db2.gz VOZFVBDEURHNMJ-UHFFFAOYSA-N 0 0 312.394 3.192 1 0 DGAFRN COc1cc2[nH]c(C(=O)c3ccccc3)cc2c(OC)c1OC ZINC000066074245 184387113 /nfs/dbraw/zinc/38/71/13/184387113.db2.gz PEVALPXTQOBLHZ-UHFFFAOYSA-N 0 0 311.337 3.425 1 0 DGAFRN O=c1c2ccccc2nc(-n2ccnc2)n1-c1ccc(Cl)cc1 ZINC000066259594 184399162 /nfs/dbraw/zinc/39/91/62/184399162.db2.gz GUDIVSPTSGADTO-UHFFFAOYSA-N 0 0 322.755 3.225 1 0 DGAFRN O=c1cc(N2CCOCC2)oc2cc(-c3cccs3)ccc12 ZINC000028564130 134670946 /nfs/dbraw/zinc/67/09/46/134670946.db2.gz CEIHNIVKBUVYEV-UHFFFAOYSA-N 0 0 313.378 3.358 1 0 DGAFRN CCN1c2ccccc2N[C@H]2N=C(OC)[C@@H](c3ccccc3)[C@@H]21 ZINC000004123742 276254970 /nfs/dbraw/zinc/25/49/70/276254970.db2.gz ASCBUEVCEVGOFP-BZSNNMDCSA-N 0 0 307.397 3.475 1 0 DGAFRN C[C@H]1CC[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000018241234 279761983 /nfs/dbraw/zinc/76/19/83/279761983.db2.gz BZRNBPGTGIXIOM-ZWKOPEQDSA-N 0 0 322.202 3.375 1 0 DGAFRN FC(F)(F)[C@H]1CCCn2c(CNCc3ccsc3)nnc21 ZINC000089885462 431884201 /nfs/dbraw/zinc/88/42/01/431884201.db2.gz ALFWSMCDOZAHJS-JTQLQIEISA-N 0 0 316.352 3.069 1 0 DGAFRN C[C@@]1(O)C[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 ZINC000523042410 560029086 /nfs/dbraw/zinc/02/90/86/560029086.db2.gz PMUKMASMUOTCMA-FIXWDHIASA-N 0 0 320.473 3.464 1 0 biogenic DGAFRN COC(=O)c1c(O)c2ccccc2c2c1C[C@@H](OC)C(C)(C)O2 ZINC000033832531 560088343 /nfs/dbraw/zinc/08/83/43/560088343.db2.gz KORNYTURBLTMIL-CYBMUJFWSA-N 0 0 316.353 3.061 1 0 biogenic,in-vitro DGAFRN CC(C)CNC(=O)/C=C\C=C/CCc1ccc2c(c1)OCO2 ZINC000013385685 560216271 /nfs/dbraw/zinc/21/62/71/560216271.db2.gz AQKACENWDQZESU-XYMCEGRYSA-N 0 0 301.386 3.233 1 0 biogenic,in-vitro DGAFRN CC1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@H](C[C@@H]21)[C@](C)(O)C3 ZINC000100780904 571834267 /nfs/dbraw/zinc/83/42/67/571834267.db2.gz JHXMMAKVDKZILM-MFSRWRIZSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN c1[nH]nc2ccc(N[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc12 ZINC000028640083 581092390 /nfs/dbraw/zinc/09/23/90/581092390.db2.gz BKQFBAILJJESBH-QGZVFWFLSA-N 0 0 307.401 3.034 1 0 DGAFRN COc1cc(/C=C\c2cc(O)c(OC)c(O)c2)cc2c1OCO2 ZINC000095542617 185379210 /nfs/dbraw/zinc/37/92/10/185379210.db2.gz SBMXQWGUYAAPTN-ARJAWSKDSA-N 0 0 316.309 3.014 1 0 DGAFRN CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 ZINC000095561975 185380072 /nfs/dbraw/zinc/38/00/72/185380072.db2.gz NYSSZLMKUOFTKG-UHFFFAOYSA-N 0 0 311.389 3.054 1 0 DGAFRN CN(C)c1ccc(-c2nc3cc(OCCF)ccc3o2)cn1 ZINC000095574472 185380376 /nfs/dbraw/zinc/38/03/76/185380376.db2.gz LSWZYWXTXXAWRH-UHFFFAOYSA-N 0 0 301.321 3.304 1 0 DGAFRN O=C1CCCc2ccccc2C(=O)O[C@@H](c2ccccc2)C[C@H]1O ZINC000095600587 185382320 /nfs/dbraw/zinc/38/23/20/185382320.db2.gz UCKAURDDCGHLHV-RTBURBONSA-N 0 0 324.376 3.241 3 0 DGAFRN Fc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1 ZINC000095601920 185382426 /nfs/dbraw/zinc/38/24/26/185382426.db2.gz DMHKGBWMWSEBJH-UHFFFAOYSA-N 0 0 315.373 3.496 1 0 DGAFRN COC(=O)[C@@H](C)Sc1ccc2ncc(-c3cccs3)n2n1 ZINC000095605810 185382746 /nfs/dbraw/zinc/38/27/46/185382746.db2.gz YLJAVFRABAJJBD-SECBINFHSA-N 0 0 319.411 3.111 1 0 DGAFRN CCOC(=O)c1nc2c(c3[nH][nH]cc3cc2N)c1-c1ccccc1 ZINC000096910260 185391078 /nfs/dbraw/zinc/39/10/78/185391078.db2.gz SQWDWNWCXBVKKN-UHFFFAOYSA-N 0 0 320.352 3.470 1 0 DGAFRN CC1(C)Cc2ccc(-c3cncnc3)cc2[C@@]12C=C(F)C(=N)N2 ZINC000096916929 185391561 /nfs/dbraw/zinc/39/15/61/185391561.db2.gz ORILNYIQHJPETP-SFHVURJKSA-N 0 0 308.360 3.355 1 0 DGAFRN Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)c1 ZINC000096939173 185393073 /nfs/dbraw/zinc/39/30/73/185393073.db2.gz IXRVAEYDHWYODF-UHFFFAOYSA-N 0 0 324.315 3.364 1 0 DGAFRN Cc1cc(Nc2c3c(C)nn(C)c3nc3ccccc32)n(C)n1 ZINC000169331521 197742923 /nfs/dbraw/zinc/74/29/23/197742923.db2.gz SHNBZJDOHMHCEF-UHFFFAOYSA-N 0 0 306.373 3.215 1 0 DGAFRN CCCC(=O)c1c(=O)[nH]c(C)c2c1CC[C@H](c1ccncc1)C2 ZINC000027109526 190653993 /nfs/dbraw/zinc/65/39/93/190653993.db2.gz VCFCZEZDHKCENT-AWEZNQCLSA-N 0 0 310.397 3.334 1 0 DGAFRN Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(N)c4)C3)n2)o1 ZINC000103227032 185439713 /nfs/dbraw/zinc/43/97/13/185439713.db2.gz GVPBMKXKSCSYMX-CQSZACIVSA-N 0 0 321.384 3.016 1 0 DGAFRN CCCNC(=S)NCCc1coc2ccc3c(c12)CCCO3 ZINC000103234070 185440125 /nfs/dbraw/zinc/44/01/25/185440125.db2.gz DIFRGBZVPQMREX-UHFFFAOYSA-N 0 0 318.442 3.174 1 0 DGAFRN O=c1ccc(-c2nc3ccccc3nc2-c2ccccc2)n[nH]1 ZINC000103295614 185445143 /nfs/dbraw/zinc/44/51/43/185445143.db2.gz HFHDHKUGNRMFRQ-UHFFFAOYSA-N 0 0 300.321 3.047 1 0 DGAFRN Cc1ccc2c(c1)CN(CCN1COc3ccc(C)cc3C1)CO2 ZINC000084466312 192432142 /nfs/dbraw/zinc/43/21/42/192432142.db2.gz AATFCJDKFGBSDV-UHFFFAOYSA-N 0 0 324.424 3.307 1 0 DGAFRN CCS(=O)(=O)c1ccc2c(c1)nc(C(C)C)n2CC1CC1 ZINC000072109230 191037289 /nfs/dbraw/zinc/03/72/89/191037289.db2.gz RFZKVWNKSQGCSO-UHFFFAOYSA-N 0 0 306.431 3.363 1 0 DGAFRN CN1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072184657 191072646 /nfs/dbraw/zinc/07/26/46/191072646.db2.gz XSAIKQKFVHPUQC-KRWDZBQOSA-N 0 0 301.821 3.072 1 0 DGAFRN O=C(c1cccc2ccccc21)N1Cc2ccccc2C[C@@H]1CO ZINC000084670304 192452666 /nfs/dbraw/zinc/45/26/66/192452666.db2.gz MQLZIXLVPCWREN-GOSISDBHSA-N 0 0 317.388 3.399 1 0 DGAFRN CC(C)(C)n1cc(C(=O)NCc2ccncc2)c2cccnc21 ZINC000072323216 191121710 /nfs/dbraw/zinc/12/17/10/191121710.db2.gz IXAKQCZVBKREPG-UHFFFAOYSA-N 0 0 308.385 3.116 2 0 DGAFRN CCOC(=O)C1=C(c2ccccc2)N(C(C)=O)Cc2ccccc21 ZINC000001630956 180881420 /nfs/dbraw/zinc/88/14/20/180881420.db2.gz DHUUQWNYFPJTTO-UHFFFAOYSA-N 0 0 321.376 3.480 1 0 DGAFRN COc1ccccc1-c1ccc(/C=C2\SC(=N)NC2=O)o1 ZINC000073159978 191286769 /nfs/dbraw/zinc/28/67/69/191286769.db2.gz IMFSQJSWPCTTFT-JYRVWZFOSA-N 0 0 300.339 3.094 1 0 DGAFRN O=C1c2ccccc2C2=C(c3nc4cc[nH]cc-4n3)CCCN12 ZINC000073196872 191290199 /nfs/dbraw/zinc/29/01/99/191290199.db2.gz OBSCRMJWHBYWSE-UHFFFAOYSA-N 0 0 302.337 3.076 1 0 in-vitro DGAFRN CN(Cc1ccco1)c1ncncc1-c1ccc2c(c1)OCO2 ZINC000004239319 181086791 /nfs/dbraw/zinc/08/67/91/181086791.db2.gz GXZWRFOYMNJVFA-UHFFFAOYSA-N 0 0 309.325 3.102 1 0 DGAFRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000004672039 181134847 /nfs/dbraw/zinc/13/48/47/181134847.db2.gz XRFNWBHSOZPZNX-LOWVWBTDSA-N 0 0 318.442 3.285 1 0 DGAFRN O=C(Cn1cc2c(n1)CCCCC2)Nc1ccc(F)cc1F ZINC000005148668 181209468 /nfs/dbraw/zinc/20/94/68/181209468.db2.gz QXEGYJBUVVQING-UHFFFAOYSA-N 0 0 305.328 3.069 3 0 DGAFRN CCCCn1ncnc1C(O)(c1ccccc1)c1ccccc1 ZINC000005310462 181228500 /nfs/dbraw/zinc/22/85/00/181228500.db2.gz BLJLTHQTPLRGKN-UHFFFAOYSA-N 0 0 307.397 3.362 3 0 DGAFRN CCOC(=O)[C@H]1Nc2ccc(O)cc2[C@@H]2c3ccccc3C[C@@H]21 ZINC000005499748 181250352 /nfs/dbraw/zinc/25/03/52/181250352.db2.gz VKIFYMRBLHCVQC-SZMVWBNQSA-N 0 0 309.365 3.054 1 0 DGAFRN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1n[nH]nc12 ZINC000005503638 181250679 /nfs/dbraw/zinc/25/06/79/181250679.db2.gz BZPYOPXMDGFZDN-SKHHDZDTSA-N 0 0 313.445 3.142 1 0 DGAFRN CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc[nH]3)nc21 ZINC000005841904 181288744 /nfs/dbraw/zinc/28/87/44/181288744.db2.gz IPVNHELRRJRWDT-UHFFFAOYSA-N 0 0 319.368 3.220 1 0 DGAFRN CC(C)(C)C(=O)OC[C@H]1C=C(c2cccc(Cl)c2)C(=O)O1 ZINC000005885026 181293199 /nfs/dbraw/zinc/29/31/99/181293199.db2.gz BXQBRFNGZBVICQ-GFCCVEGCSA-N 0 0 308.761 3.238 1 0 DGAFRN Cc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(C)nc2s1 ZINC000005892906 181293623 /nfs/dbraw/zinc/29/36/23/181293623.db2.gz CEQJVCWHFSILSW-WUXMJOGZSA-N 0 0 311.366 3.211 1 0 DGAFRN COc1ccc([S@](=O)Cc2cc(OC)ccc2OC)cc1 ZINC000006005568 181305076 /nfs/dbraw/zinc/30/50/76/181305076.db2.gz JUHWKKKZJJGMMI-NRFANRHFSA-N 0 0 306.383 3.020 1 0 DGAFRN O=c1c2c([nH]c3cc(-c4ccccc4Cl)nn31)CCS2 ZINC000006557552 181355120 /nfs/dbraw/zinc/35/51/20/181355120.db2.gz FKJOTFPQZUSRBE-UHFFFAOYSA-N 0 0 303.774 3.404 1 0 DGAFRN Nc1nc2c(ncn2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000006581106 181356744 /nfs/dbraw/zinc/35/67/44/181356744.db2.gz ARBMHCVCIXKCRO-UHFFFAOYSA-N 0 0 301.353 3.124 1 0 DGAFRN Clc1nc(Br)nc2c1ncn2Cc1ccccc1 ZINC000006581083 181356895 /nfs/dbraw/zinc/35/68/95/181356895.db2.gz YTEYBUCLKWUFKT-UHFFFAOYSA-N 0 0 323.581 3.291 1 0 DGAFRN COc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)c(OC)c1 ZINC000006618235 181361732 /nfs/dbraw/zinc/36/17/32/181361732.db2.gz VUPWYEZQYQYEKD-CSKARUKUSA-N 0 0 308.337 3.111 1 0 DGAFRN CCCCn1nc2cc(C(=O)NCC3CC3)ccc2c1OCC ZINC000008801875 181587037 /nfs/dbraw/zinc/58/70/37/181587037.db2.gz BFXYSADHBQDBMX-UHFFFAOYSA-N 0 0 315.417 3.375 3 0 DGAFRN CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S ZINC000013642203 181872077 /nfs/dbraw/zinc/87/20/77/181872077.db2.gz DTIPDFUNOMPORG-UHFFFAOYSA-N 0 0 324.449 3.447 1 0 DGAFRN Cn1nc(C(=O)NCc2ccccc2)c2c1-c1ccsc1CC2 ZINC000015736018 182014257 /nfs/dbraw/zinc/01/42/57/182014257.db2.gz KLIXSAAEDZJINO-UHFFFAOYSA-N 0 0 323.421 3.177 1 0 DGAFRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C ZINC000017326322 182083620 /nfs/dbraw/zinc/08/36/20/182083620.db2.gz SCKVBFYHMGNGQY-OXCBPAIVSA-N 0 0 320.429 3.476 1 0 DGAFRN Cn1nc(C(=O)Nc2cccnc2)c2c1-c1ccccc1SC2 ZINC000020485188 182223033 /nfs/dbraw/zinc/22/30/33/182223033.db2.gz MYCGTZOEJHBMTC-UHFFFAOYSA-N 0 0 322.393 3.340 1 0 DGAFRN CCCCCC(O)(P(=O)(OC)OC)P(=O)(OC)OC ZINC000029224347 182557002 /nfs/dbraw/zinc/55/70/02/182557002.db2.gz IFCORMNVKLVNLH-UHFFFAOYSA-N 0 0 318.243 3.185 1 0 DGAFRN O[C@]1(Cc2ccc(F)cc2)c2ccccc2C2=NCCCCN21 ZINC000028954298 182547116 /nfs/dbraw/zinc/54/71/16/182547116.db2.gz FYEHYELBXAVMBA-LJQANCHMSA-N 0 0 310.372 3.070 1 0 DGAFRN CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)cc1 ZINC000038841159 183010842 /nfs/dbraw/zinc/01/08/42/183010842.db2.gz BZEHFFYIAOOMOU-AWEZNQCLSA-N 0 0 308.809 3.460 1 0 DGAFRN Cc1nnc2n1-c1ccc(Cl)cc1N(c1ccccc1)C(=O)C2 ZINC000039193613 183014679 /nfs/dbraw/zinc/01/46/79/183014679.db2.gz XVMDIBGSCXIXJJ-UHFFFAOYSA-N 0 0 324.771 3.450 1 0 DGAFRN Cc1nnc2n1-c1ccc(N)cc1C(c1ccccc1Cl)=NC2 ZINC000039247021 183015708 /nfs/dbraw/zinc/01/57/08/183015708.db2.gz XGLOOOYZAISIOP-UHFFFAOYSA-N 0 0 323.787 3.162 1 0 DGAFRN COc1ccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2)cc1 ZINC000040379083 183058099 /nfs/dbraw/zinc/05/80/99/183058099.db2.gz OFLIHYXEJVKHNC-UHFFFAOYSA-N 0 0 318.376 3.228 1 0 DGAFRN CCOC(=O)Cn1c(=O)cc(C)c2ccc3oc(C)c(C)c3c21 ZINC000040951409 183150886 /nfs/dbraw/zinc/15/08/86/183150886.db2.gz CVUAMYVBWGOVFG-UHFFFAOYSA-N 0 0 313.353 3.236 1 0 DGAFRN CCS/C=C(/C)n1c(=O)onc1C(=O)c1ccc(Cl)cc1 ZINC000040949681 183150950 /nfs/dbraw/zinc/15/09/50/183150950.db2.gz CGNMNPCVGXSAAX-HJWRWDBZSA-N 0 0 324.789 3.292 1 0 DGAFRN Nc1c(C(=O)c2ccccc2)cc[n+]([O-])c1-c1ccccc1Cl ZINC000042922653 183319071 /nfs/dbraw/zinc/31/90/71/183319071.db2.gz QIKZDCMHJLQSAT-UHFFFAOYSA-N 0 0 324.767 3.454 1 0 DGAFRN CCOC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 ZINC000045299432 183496136 /nfs/dbraw/zinc/49/61/36/183496136.db2.gz UUDCQHVRPXXNKG-UHFFFAOYSA-N 0 0 318.354 3.348 1 0 DGAFRN COc1ccccc1[C@@H](Cc1coc2nc(N)nc(N)c12)C1CC1 ZINC000045391895 183503186 /nfs/dbraw/zinc/50/31/86/183503186.db2.gz ABOUXXMKTJTICI-ZDUSSCGKSA-N 0 0 324.384 3.132 1 0 DGAFRN COc1cccc(Nc2nc(N)nc3c2-c2ccccc2C3)c1 ZINC000059111542 184134852 /nfs/dbraw/zinc/13/48/52/184134852.db2.gz NLHWLKWHFRIZDW-UHFFFAOYSA-N 0 0 304.353 3.382 1 0 DGAFRN CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cccs1 ZINC000061904606 184194093 /nfs/dbraw/zinc/19/40/93/184194093.db2.gz QKGQBUBJVGRICP-INIZCTEOSA-N 0 0 308.447 3.049 3 0 DGAFRN COc1cccc(NC(=O)[C@@]2(C)CCN2CCc2ccccc2)c1 ZINC000061908931 184194567 /nfs/dbraw/zinc/19/45/67/184194567.db2.gz JPEJFIXTXCQPKD-HXUWFJFHSA-N 0 0 324.424 3.341 3 0 DGAFRN CC[C@@H](CO)Nc1ccn2nc(-c3cccc(Cl)c3)cc2n1 ZINC000061926993 184196116 /nfs/dbraw/zinc/19/61/16/184196116.db2.gz MZEUYIHITUDMJZ-ZDUSSCGKSA-N 0 0 316.792 3.233 3 0 DGAFRN C[C@H]1CN([S@](=O)C(C)(C)C)[C@@H](CCO)/C1=C\c1ccccc1 ZINC000061943225 184198067 /nfs/dbraw/zinc/19/80/67/184198067.db2.gz UDSDLWCITKWWHE-LKZFTVDNSA-N 0 0 321.486 3.235 3 0 DGAFRN Nc1nnc2c3ccccc3c(Oc3ccc(Cl)cc3)nn12 ZINC000064453967 184297733 /nfs/dbraw/zinc/29/77/33/184297733.db2.gz AGVHSVPFSAPEDV-UHFFFAOYSA-N 0 0 311.732 3.305 1 0 DGAFRN CC(C)(C)C(=O)OC[C@H]1C=C(c2ccc(Cl)cc2)C(=O)OC1 ZINC000064559428 184299713 /nfs/dbraw/zinc/29/97/13/184299713.db2.gz HGHBUWQKBGHDKB-NSHDSACASA-N 0 0 322.788 3.486 1 0 DGAFRN CCOC(=O)c1cc2cc(C=O)cc([C@H](C)CC)c2oc1=O ZINC000064573046 184300355 /nfs/dbraw/zinc/30/03/55/184300355.db2.gz FRPHYYLLKHLMOE-SNVBAGLBSA-N 0 0 302.326 3.296 1 0 DGAFRN COc1ccc([C@@H](C)NC(=O)Cc2ccc(C3CC3)cc2)nc1 ZINC000066066293 184386538 /nfs/dbraw/zinc/38/65/38/184386538.db2.gz MSXLXVMJLMZAKN-CYBMUJFWSA-N 0 0 310.397 3.388 1 0 DGAFRN CCOC(=O)c1sc(-c2nc3ccccc3n2C)nc1C ZINC000066077712 184386813 /nfs/dbraw/zinc/38/68/13/184386813.db2.gz WNCUIELWBFNEBB-UHFFFAOYSA-N 0 0 301.371 3.182 1 0 DGAFRN COC(=O)c1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1 ZINC000066077624 184387002 /nfs/dbraw/zinc/38/70/02/184387002.db2.gz RRHVEQWMOKQMRJ-IBGZPJMESA-N 0 0 324.380 3.241 1 0 DGAFRN CSc1ccc(OCc2ncc(Br)n2C)cc1 ZINC000066079491 184387342 /nfs/dbraw/zinc/38/73/42/184387342.db2.gz BYSIUFUXCBUQSU-UHFFFAOYSA-N 0 0 313.220 3.484 1 0 DGAFRN CCOC(=O)c1c(N)oc2c1c(SC)c(O)c1ncccc21 ZINC000066157576 184393802 /nfs/dbraw/zinc/39/38/02/184393802.db2.gz RQKBPFDQICQADA-UHFFFAOYSA-N 0 0 318.354 3.167 1 0 DGAFRN O=c1cc(N2CCOCC2)oc2cc(-c3ccccc3)ccc12 ZINC000026729495 134666801 /nfs/dbraw/zinc/66/68/01/134666801.db2.gz RWIGISKNQAMRJZ-UHFFFAOYSA-N 0 0 307.349 3.297 1 0 in-vivo DGAFRN COc1cccc(N2C[C@H](NC(=O)C3CC3)Cc3ccccc32)c1 ZINC000066077069 134830004 /nfs/dbraw/zinc/83/00/04/134830004.db2.gz XJUIOQGWQPAILQ-MRXNPFEDSA-N 0 0 322.408 3.284 1 0 DGAFRN Cc1cn2c(n1)CN(C(=O)c1cccc(Cl)c1Cl)CC2 ZINC000095565502 279003220 /nfs/dbraw/zinc/00/32/20/279003220.db2.gz CKGZVMHPKUGEGT-UHFFFAOYSA-N 0 0 310.184 3.154 1 0 DGAFRN COc1ccc(-c2cc(Cc3ccccc3)c(=O)[nH]n2)cc1OC ZINC000013644745 518143607 /nfs/dbraw/zinc/14/36/07/518143607.db2.gz YROZYGUGLCIHJU-UHFFFAOYSA-N 0 0 322.364 3.457 1 0 DGAFRN COc1ccc2c(c1)O[C@H]1c3ccc(OC)c(OC)c3OC[C@@H]21 ZINC000014822205 571724860 /nfs/dbraw/zinc/72/48/60/571724860.db2.gz XLPOISABZDNFQM-BBRMVZONSA-N 0 0 314.337 3.322 1 0 endogenous,in-man DGAFRN COc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1 ZINC000095586899 185381666 /nfs/dbraw/zinc/38/16/66/185381666.db2.gz MJKXTXVMNWICJB-UHFFFAOYSA-N 0 0 300.339 3.292 1 0 DGAFRN CC1(C)CCC[C@]2(C)[C@H]3CC=C(CCO)[C@H](O)[C@@]3(C)C(=O)C[C@@H]12 ZINC000095589491 185381963 /nfs/dbraw/zinc/38/19/63/185381963.db2.gz KTDOLCHRZYHEBZ-IBMXSDLOSA-N 0 0 320.473 3.488 1 0 DGAFRN COC(=O)c1c(-c2ccccc2)oc2c1[C@@H](OCCO)CCC2 ZINC000095598745 185382361 /nfs/dbraw/zinc/38/23/61/185382361.db2.gz UCEGRGJIJYJPKF-ZDUSSCGKSA-N 0 0 316.353 3.120 3 0 DGAFRN O=C(Cc1ccccc1)Nc1cccc(-c2csc(=O)[nH]2)c1 ZINC000095605332 185382628 /nfs/dbraw/zinc/38/26/28/185382628.db2.gz UJWBBHAAXBEAHR-UHFFFAOYSA-N 0 0 310.378 3.285 1 0 DGAFRN O=C(Nc1cncc(-c2nc3ncccc3o2)c1)c1ccco1 ZINC000096914424 185391145 /nfs/dbraw/zinc/39/11/45/185391145.db2.gz QXCUSHWPUANYFW-UHFFFAOYSA-N 0 0 306.281 3.130 1 0 DGAFRN Nc1[nH+]cnc2[n-]c(C(=O)c3ccccc3)c(-c3cccs3)c21 ZINC000096921764 185391753 /nfs/dbraw/zinc/39/17/53/185391753.db2.gz DTTFFHAEFFSWKU-UHFFFAOYSA-N 0 0 320.377 3.500 1 0 DGAFRN CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(Cl)cc1 ZINC000096935257 185392833 /nfs/dbraw/zinc/39/28/33/185392833.db2.gz NUGWVRANOXGIGE-INIZCTEOSA-N 0 0 315.760 3.283 1 0 DGAFRN O=C(Nc1cccc(O)c1)c1noc2c1CCc1ccccc1-2 ZINC000002465971 190616163 /nfs/dbraw/zinc/61/61/63/190616163.db2.gz URRAEHCQHZSLIK-UHFFFAOYSA-N 0 0 306.321 3.398 3 0 DGAFRN O=C(Nc1ncc(Cc2ccccc2)o1)c1n[nH]c2ccccc21 ZINC000169347448 197744263 /nfs/dbraw/zinc/74/42/63/197744263.db2.gz PCPOSQPEYCHKJP-UHFFFAOYSA-N 0 0 318.336 3.394 1 0 DGAFRN Fc1ccc(NC2=NS[C@@H](Nc3ccc(F)cc3)N2)cc1 ZINC000103198123 185437930 /nfs/dbraw/zinc/43/79/30/185437930.db2.gz RCNLODGPQMZMFC-AWEZNQCLSA-N 0 0 306.341 3.380 1 0 DGAFRN COc1cc2c(cc1CO)C=C[C@@H]1C(C)(C)[C@@H](O)CC[C@@]21C ZINC000103227564 185439368 /nfs/dbraw/zinc/43/93/68/185439368.db2.gz OQWQQASPTCXQLO-AOIWGVFYSA-N 0 0 302.414 3.269 1 0 DGAFRN Nc1nc(Nc2cccnc2)sc1C(=O)c1ccc(F)cc1 ZINC000071296959 190954325 /nfs/dbraw/zinc/95/43/25/190954325.db2.gz RQVRUQFUORBZAJ-UHFFFAOYSA-N 0 0 314.345 3.234 1 0 DGAFRN CC(C)Cc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1 ZINC000071318045 190957179 /nfs/dbraw/zinc/95/71/79/190957179.db2.gz CYFUYHSAMCQQKR-UHFFFAOYSA-N 0 0 316.426 3.227 1 0 DGAFRN Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccco3)n2)n1 ZINC000072103005 191036698 /nfs/dbraw/zinc/03/66/98/191036698.db2.gz VNGAJAABFZNLPB-UHFFFAOYSA-N 0 0 306.325 3.429 1 0 DGAFRN O=C(N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CC1 ZINC000072142347 191049001 /nfs/dbraw/zinc/04/90/01/191049001.db2.gz OOTOAIYSZNCDHJ-CQSZACIVSA-N 0 0 321.302 3.111 1 0 DGAFRN CC[C@H](C)CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000072141030 191049388 /nfs/dbraw/zinc/04/93/88/191049388.db2.gz GPCDYXOQEGLDGD-LRDDRELGSA-N 0 0 316.401 3.246 1 0 DGAFRN O=C1CCNC(=O)c2c1ccn2-c1ccc(-c2ccccc2)cc1 ZINC000072175668 191070713 /nfs/dbraw/zinc/07/07/13/191070713.db2.gz XNBWITUNLZUWGI-UHFFFAOYSA-N 0 0 316.360 3.461 1 0 DGAFRN COc1cc2c(cc1OC)[C@@]1(CC=CCC1)N(C(C)=O)CC2 ZINC000084669089 192452574 /nfs/dbraw/zinc/45/25/74/192452574.db2.gz FCCPPBXZPHJQTA-SFHVURJKSA-N 0 0 301.386 3.044 1 0 DGAFRN CC(=O)c1cc2ncc(C(=O)NCCC3=CCCCC3)cc2[nH]1 ZINC000072322836 191121592 /nfs/dbraw/zinc/12/15/92/191121592.db2.gz RBXDQXRNKXRGRZ-UHFFFAOYSA-N 0 0 311.385 3.386 2 0 DGAFRN COc1ccc(NC(=O)c2cnc3cc(C(C)=O)[nH]c3c2)cc1 ZINC000072323381 191121786 /nfs/dbraw/zinc/12/17/86/191121786.db2.gz DSXPXLDTPUCOHY-UHFFFAOYSA-N 0 0 309.325 3.026 2 0 DGAFRN COc1cc(/C=C/c2cccc(O)c2OC)cc(O)c1OC ZINC000015113710 290916529 /nfs/dbraw/zinc/91/65/29/290916529.db2.gz SHQJCNCKMTWAJU-BQYQJAHWSA-N 0 0 302.326 3.294 1 0 biogenic,in-vitro DGAFRN COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@H]1c1ccccc1 ZINC000073164468 191287132 /nfs/dbraw/zinc/28/71/32/191287132.db2.gz UPUZVXGBHBLVLR-PKOBYXMFSA-N 0 0 310.349 3.077 1 0 DGAFRN C[C@H](NC(=O)Nc1ccccc1)c1nc2ccsc2c(=O)o1 ZINC000003633110 181042801 /nfs/dbraw/zinc/04/28/01/181042801.db2.gz SFQSVUVTZYBGNC-VIFPVBQESA-N 0 0 315.354 3.132 1 0 DGAFRN CS(=O)(=O)c1ccc(-c2nccnc2-c2ccccc2)cc1 ZINC000003949507 181058648 /nfs/dbraw/zinc/05/86/48/181058648.db2.gz VPFPZWIWCHWHJI-UHFFFAOYSA-N 0 0 310.378 3.214 1 0 DGAFRN Cc1ccnc2c1cccc2N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000004004114 181061326 /nfs/dbraw/zinc/06/13/26/181061326.db2.gz JQBCHOWMNYKZNR-MEGQDDJESA-N 0 0 318.376 3.245 1 0 DGAFRN CCOC(=O)[C@H]1Nc2ccc(OC)cc2[C@H]2c3ccccc3C[C@@H]21 ZINC000005499742 181250320 /nfs/dbraw/zinc/25/03/20/181250320.db2.gz AAHKFWHWVBZUCP-UHOSZYNNSA-N 0 0 323.392 3.357 1 0 DGAFRN C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CN(CCO)C(=O)c1ccc(Cl)cc1 ZINC000005736063 181278905 /nfs/dbraw/zinc/27/89/05/181278905.db2.gz LKJLMYKYKMDEBY-JJAZEVLHSA-N 0 0 321.848 3.457 1 0 in-man DGAFRN CN1c2cc(Cl)cnc2N(C2CC2)c2ncccc2C1=O ZINC000006481376 181344463 /nfs/dbraw/zinc/34/44/63/181344463.db2.gz QKCJJHXRRACTMK-UHFFFAOYSA-N 0 0 300.749 3.021 1 0 DGAFRN O=C1c2ccccc2S[C@@](O)(c2ccccc2)[C@H]2CCCN12 ZINC000006582279 181356710 /nfs/dbraw/zinc/35/67/10/181356710.db2.gz NOBKWXHTKUURTH-AEFFLSMTSA-N 0 0 311.406 3.242 1 0 DGAFRN CCOC(=O)c1cc2cc(C=O)cc(C(C)(C)C)c2oc1=O ZINC000095593592 193446915 /nfs/dbraw/zinc/44/69/15/193446915.db2.gz DGWDIFPKMGDGQL-UHFFFAOYSA-N 0 0 302.326 3.080 1 0 DGAFRN Fc1cc(F)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1 ZINC000013582603 181864841 /nfs/dbraw/zinc/86/48/41/181864841.db2.gz FZHZYQRQDGJIBK-UHFFFAOYSA-N 0 0 324.294 3.208 1 0 DGAFRN COc1cccc(-c2n[nH]c(Cc3cccc(F)c3F)n2)c1 ZINC000013589626 181866495 /nfs/dbraw/zinc/86/64/95/181866495.db2.gz FIFQRMIRQNKLJF-UHFFFAOYSA-N 0 0 301.296 3.349 1 0 DGAFRN CC[C@@H](C)CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000013816478 181900869 /nfs/dbraw/zinc/90/08/69/181900869.db2.gz GPCDYXOQEGLDGD-WBMJQRKESA-N 0 0 316.401 3.246 1 0 DGAFRN CC[C@@H](C)NC(=O)Nc1ncc(-c2ccc(OC)cc2)n1C ZINC000015786052 182017293 /nfs/dbraw/zinc/01/72/93/182017293.db2.gz PDROJMCKTBRCOH-LLVKDONJSA-N 0 0 302.378 3.016 1 0 DGAFRN Oc1ccc(Cc2nnc3ccc(-c4ccccc4)nn32)cc1 ZINC000016052803 182030982 /nfs/dbraw/zinc/03/09/82/182030982.db2.gz ZGJYGQLGSXWEMY-UHFFFAOYSA-N 0 0 302.337 3.088 1 0 in-vivo DGAFRN CCN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C1=O ZINC000026506200 182444508 /nfs/dbraw/zinc/44/45/08/182444508.db2.gz ZKXQMGSFLNBQON-ZIAGYGMSSA-N 0 0 316.401 3.076 1 0 DGAFRN COc1cc2nc(C)nc(-c3cc(O)cc(O)c3)c2cc1OC ZINC000026725647 182450968 /nfs/dbraw/zinc/45/09/68/182450968.db2.gz WLRAPPMYQCJEFC-UHFFFAOYSA-N 0 0 312.325 3.034 1 0 DGAFRN Cc1nc(N)c2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 ZINC000027308410 182467817 /nfs/dbraw/zinc/46/78/17/182467817.db2.gz LPIAGERHUYGRMH-UHFFFAOYSA-N 0 0 320.183 3.471 1 0 DGAFRN Cc1c2c(nn1Cc1ccc(C)c(C)c1)C(=O)N1CCC[C@H]1C=N2 ZINC000027439641 182472831 /nfs/dbraw/zinc/47/28/31/182472831.db2.gz DKBAZXHZAYKSQH-INIZCTEOSA-N 0 0 322.412 3.177 1 0 DGAFRN CC(SC[C@H]([NH3+])C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000029135116 182553593 /nfs/dbraw/zinc/55/35/93/182553593.db2.gz SXFQMUKBDQWLIZ-HNNXBMFYSA-N 0 0 301.411 3.095 1 0 DGAFRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1Nc1ccc(Cl)cc1Cl ZINC000101623968 193830027 /nfs/dbraw/zinc/83/00/27/193830027.db2.gz PUYUVJSCQSFQPG-NXEZZACHSA-N 0 0 313.184 3.496 1 0 DGAFRN C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(F)C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O ZINC000040394598 183060880 /nfs/dbraw/zinc/06/08/80/183060880.db2.gz QFMBXFUCUUGUFI-ATMNEXLDSA-N 0 0 324.436 3.022 1 0 DGAFRN CN(C)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000040405371 183062313 /nfs/dbraw/zinc/06/23/13/183062313.db2.gz BIJKXAOYEVFKIQ-UHFFFAOYSA-N 0 0 319.474 3.111 1 0 DGAFRN O=C(N[C@@H]1CCc2cc(F)ccc21)C(=O)c1c[nH]c2ccccc12 ZINC000040430093 183065982 /nfs/dbraw/zinc/06/59/82/183065982.db2.gz FCYPCFSFYDNWLQ-QGZVFWFLSA-N 0 0 322.339 3.293 1 0 DGAFRN Cc1sc2[nH]c(N)nc(=O)c2c1Sc1ccc(F)cc1 ZINC000040835951 183140094 /nfs/dbraw/zinc/14/00/94/183140094.db2.gz DJDBVVIJYBSLIT-UHFFFAOYSA-N 0 0 307.375 3.166 1 0 DGAFRN Cc1noc(C)c1Cn1nnnc1-c1cccc(Cl)c1Cl ZINC000040762639 183130363 /nfs/dbraw/zinc/13/03/63/183130363.db2.gz NSFNYZATRUHKHQ-UHFFFAOYSA-N 0 0 324.171 3.300 1 0 DGAFRN CCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(C)=O ZINC000040895165 183147491 /nfs/dbraw/zinc/14/74/91/183147491.db2.gz QDXIJGUVNZSGEL-UHFFFAOYSA-N 0 0 319.307 3.307 1 0 DGAFRN Cc1ccc(CNC(=O)c2ccc3[nH]c(C)ccc-3c2=O)cc1 ZINC000040878347 183144956 /nfs/dbraw/zinc/14/49/56/183144956.db2.gz ZAYFAIUUZBZMAJ-UHFFFAOYSA-N 0 0 306.365 3.487 1 0 DGAFRN Cc1cc2nnc(-c3ccc(Br)cc3)n2c(C)n1 ZINC000042920064 183318162 /nfs/dbraw/zinc/31/81/62/183318162.db2.gz APJTUVGNCOXDIU-UHFFFAOYSA-N 0 0 303.163 3.171 1 0 DGAFRN COc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC ZINC000043119461 183339075 /nfs/dbraw/zinc/33/90/75/183339075.db2.gz PQYRVDVXIYMQMP-UHFFFAOYSA-N 0 0 321.336 3.272 1 0 DGAFRN CN(C)c1ccc(-c2nc(-c3ccc(O)cc3)cnc2N)cc1 ZINC000043065987 183333826 /nfs/dbraw/zinc/33/38/26/183333826.db2.gz PFKXPOHDFZGMFQ-UHFFFAOYSA-N 0 0 306.369 3.164 1 0 DGAFRN CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000103166820 193925520 /nfs/dbraw/zinc/92/55/20/193925520.db2.gz QQMYHINSSKZYQP-VSGCLNPGSA-N 0 0 323.820 3.447 1 0 DGAFRN O=C1[C@H]2CCCN2[C@@H](c2cccc(F)c2)N1c1ccc(F)cc1 ZINC000057011177 184024420 /nfs/dbraw/zinc/02/44/20/184024420.db2.gz SDYRJYVEXZTYMO-IAGOWNOFSA-N 0 0 314.335 3.475 1 0 DGAFRN CC(C)NC(=O)c1cc(-c2ccc(F)cc2OC(C)C)n[nH]1 ZINC000061905586 184194180 /nfs/dbraw/zinc/19/41/80/184194180.db2.gz BZECRSUHKOHKHV-UHFFFAOYSA-N 0 0 305.353 3.141 3 0 DGAFRN O=c1c2c3c(sc2nnn1-c1ccccc1Cl)CCCC3 ZINC000064485651 184298014 /nfs/dbraw/zinc/29/80/14/184298014.db2.gz ZRBOALKIHGOJQH-UHFFFAOYSA-N 0 0 317.801 3.374 1 0 DGAFRN CCOC(=O)c1cc2cc(C=O)cc([C@@H](C)CC)c2oc1=O ZINC000064573048 184300073 /nfs/dbraw/zinc/30/00/73/184300073.db2.gz FRPHYYLLKHLMOE-JTQLQIEISA-N 0 0 302.326 3.296 1 0 DGAFRN CC(C)(C)CNC(=O)c1ccc(NC(=O)c2nccs2)cc1 ZINC000066099125 184388911 /nfs/dbraw/zinc/38/89/11/184388911.db2.gz LFVOUBQLORPMJW-UHFFFAOYSA-N 0 0 317.414 3.171 1 0 DGAFRN Fc1cccc(Nc2nc(-c3nn[nH]n3)cc3sccc32)c1 ZINC000066101642 184389218 /nfs/dbraw/zinc/38/92/18/184389218.db2.gz USQGJHATKLPLMN-UHFFFAOYSA-N 0 0 312.333 3.359 1 0 DGAFRN CC(C)c1cc2c(cc1O)[C@@]1(O)CCC[C@](C)(CO)[C@@H]1CC2=O ZINC000066102567 184389513 /nfs/dbraw/zinc/38/95/13/184389513.db2.gz RDRFKMSTCAZPEC-OTWHNJEPSA-N 0 0 318.413 3.088 1 0 in-vitro DGAFRN O=C(Nc1nnc(-c2ccco2)o1)c1ccnc2ccccc21 ZINC000066114255 184390717 /nfs/dbraw/zinc/39/07/17/184390717.db2.gz JBEIVBAFYCXWER-UHFFFAOYSA-N 0 0 306.281 3.130 1 0 DGAFRN CN(C)C(=O)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000066123010 184391585 /nfs/dbraw/zinc/39/15/85/184391585.db2.gz KSTGUNOVTAPESM-UHFFFAOYSA-N 0 0 308.381 3.422 1 0 DGAFRN O=C(CCCCCC(=O)Nc1cccc2cccnc21)NS ZINC000066260214 184399492 /nfs/dbraw/zinc/39/94/92/184399492.db2.gz HWSBOLCZWNNRGV-UHFFFAOYSA-N 0 0 317.414 3.085 1 0 DGAFRN NC(=O)c1c2c(sc1NC(=O)[C@H]1C[C@H]3CC[C@@H]1C3)CCCC2 ZINC000004574409 295168759 /nfs/dbraw/zinc/16/87/59/295168759.db2.gz DEBFNTZQMPOMKQ-UMNHJUIQSA-N 0 0 318.442 3.101 1 0 DGAFRN C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CC[C@H](CCCO)C3)[C@@H]1[C@H](O)C2 ZINC000085547574 560072312 /nfs/dbraw/zinc/07/23/12/560072312.db2.gz QYMDFMQDBZNCRU-GTJKDEEZSA-N 0 0 322.489 3.258 1 0 biogenic,in-vitro DGAFRN CC(C)(C)[C@@H](O)[C@@H](CCCOc1ccccc1)n1cncn1 ZINC000013548413 560219662 /nfs/dbraw/zinc/21/96/62/560219662.db2.gz UEELDJHOXQEBQT-CVEARBPZSA-N 0 0 303.406 3.085 1 0 in-vitro DGAFRN COc1c2c(c3c4c1CCN(C)[C@@H]4Cc1ccccc1-3)OCO2 ZINC000014715534 560224881 /nfs/dbraw/zinc/22/48/81/560224881.db2.gz NFEXDKYJEYMIMF-CQSZACIVSA-N 0 0 309.365 3.176 1 0 biogenic,in-vitro DGAFRN COc1cc2oc3c(c2c(O)c1)COc1cc(OC)cc(O)c1-3 ZINC000014763555 560225840 /nfs/dbraw/zinc/22/58/40/560225840.db2.gz RVGZSUMTFIEORY-UHFFFAOYSA-N 0 0 314.293 3.421 1 0 biogenic,in-vitro DGAFRN COc1cc(CCCOC(=O)c2ccccc2)cc(OC)c1O ZINC000014818081 560226651 /nfs/dbraw/zinc/22/66/51/560226651.db2.gz COFCMLKODGVUBA-UHFFFAOYSA-N 0 0 316.353 3.199 1 0 biogenic,in-vitro DGAFRN Fc1ccc(CSc2nnc(-c3cnccn3)s2)cc1 ZINC000095576161 185380677 /nfs/dbraw/zinc/38/06/77/185380677.db2.gz QGFNCTMZHBBMSY-UHFFFAOYSA-N 0 0 304.375 3.427 1 0 DGAFRN Fc1cccc(F)c1CSc1nnc(-c2cnccn2)o1 ZINC000095580096 185381195 /nfs/dbraw/zinc/38/11/95/185381195.db2.gz IGUICDJYINTRIH-UHFFFAOYSA-N 0 0 306.297 3.097 1 0 DGAFRN COc1ccccc1-c1nnc(-c2ccc(O)cc2O)s1 ZINC000095591930 185382019 /nfs/dbraw/zinc/38/20/19/185382019.db2.gz JKHQRBJYLPJJLG-UHFFFAOYSA-N 0 0 300.339 3.292 1 0 DGAFRN COc1ccc2c(c1)occ(/C=C/C(=O)Nc1ccccc1)c2=O ZINC000095588750 185382036 /nfs/dbraw/zinc/38/20/36/185382036.db2.gz KWPCGCOAEDKKFY-JXMROGBWSA-N 0 0 321.332 3.454 1 0 DGAFRN Fc1ccc(Cc2nnc3sc(-c4ccoc4)nn23)cc1 ZINC000096905672 185390683 /nfs/dbraw/zinc/39/06/83/185390683.db2.gz BQCYOKUETBHDKF-UHFFFAOYSA-N 0 0 300.318 3.176 1 0 DGAFRN CNC(=O)c1ccc(Cl)cc1N(C)c1ccc(OC)cc1 ZINC000096910979 185390877 /nfs/dbraw/zinc/39/08/77/185390877.db2.gz CKJVPMVADPIXNN-UHFFFAOYSA-N 0 0 304.777 3.476 1 0 DGAFRN O=c1cc(-c2cc(O)cc(O)c2)[nH]c2ccc(N3CCCC3)cc12 ZINC000096913338 185391143 /nfs/dbraw/zinc/39/11/43/185391143.db2.gz CVPGVMPNUSAJFI-UHFFFAOYSA-N 0 0 322.364 3.207 1 0 DGAFRN COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)cc1O ZINC000096927045 185391945 /nfs/dbraw/zinc/39/19/45/185391945.db2.gz DGKGSHCQEOSLIO-UHFFFAOYSA-N 0 0 312.243 3.058 1 0 DGAFRN CC1=CC[C@@H]2[C@@H](O[C@H](c3cccc(Cl)c3)C[C@@]2(C)O)[C@@H]1O ZINC000096933453 185392684 /nfs/dbraw/zinc/39/26/84/185392684.db2.gz IQAKJAXVZGAQBY-ZHCJQAHYSA-N 0 0 308.805 3.248 1 0 DGAFRN C/C=C/OC(=O)N[C@H](c1ccccc1)[C@]1(C(C)=O)CCCC1=O ZINC000007992491 190629450 /nfs/dbraw/zinc/62/94/50/190629450.db2.gz ZUERLKAKQMUYDU-KUTIUYLQSA-N 0 0 315.369 3.316 1 0 DGAFRN Cc1c(OCC(=O)N(C)c2ccccc2)onc1C(F)(F)F ZINC000103191637 185437539 /nfs/dbraw/zinc/43/75/39/185437539.db2.gz MRPGMRBTBMIDQQ-UHFFFAOYSA-N 0 0 314.263 3.044 1 0 DGAFRN CCc1cc(Nc2ccc(C(F)(F)F)cc2)n2ncnc2n1 ZINC000071295054 190954556 /nfs/dbraw/zinc/95/45/56/190954556.db2.gz IIJYAMLJLFFDGZ-UHFFFAOYSA-N 0 0 307.279 3.449 1 0 DGAFRN C[C@@H]1NS(=O)(=O)c2cccc(Cl)c2O[C@@H]1c1ccccc1 ZINC000072138365 191047634 /nfs/dbraw/zinc/04/76/34/191047634.db2.gz GNYOHGJCLCXVGL-HZMBPMFUSA-N 0 0 323.801 3.141 3 0 DGAFRN Fc1ccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)nc1 ZINC000072119708 191040343 /nfs/dbraw/zinc/04/03/43/191040343.db2.gz INZDUTDKKFTEFM-UHFFFAOYSA-N 0 0 301.350 3.300 1 0 DGAFRN CCOc1ccc(-c2nc(C[NH2+][C@@H](CC)COC)co2)cc1 ZINC000072186285 191073622 /nfs/dbraw/zinc/07/36/22/191073622.db2.gz KPYQJIJBSULQSW-AWEZNQCLSA-N 0 0 304.390 3.255 1 0 DGAFRN CC(=O)c1cc2cc(C(=O)NCc3ccc(C)cc3)cnc2[nH]1 ZINC000072323871 191121562 /nfs/dbraw/zinc/12/15/62/191121562.db2.gz HBRIYNCQPMSPNE-UHFFFAOYSA-N 0 0 307.353 3.004 2 0 DGAFRN CCC(=O)NCC1(c2c[nH]c3ccccc32)SCCS1 ZINC000001633321 180881654 /nfs/dbraw/zinc/88/16/54/180881654.db2.gz JODWRPCHUUUVAU-UHFFFAOYSA-N 0 0 306.456 3.327 1 0 DGAFRN Cc1ccc(O)c(C(=O)NC[C@]2(C)C[C@H](O)CC(C)(C)C2)c1 ZINC000003596339 181037914 /nfs/dbraw/zinc/03/79/14/181037914.db2.gz KKAWWXZKEJBVTJ-FZKQIMNGSA-N 0 0 305.418 3.008 1 0 DGAFRN COc1ccc2c(c1)[C@H](CCNC(=O)C(F)(F)F)CCC2 ZINC000003825734 181046863 /nfs/dbraw/zinc/04/68/63/181046863.db2.gz MFGFWEKQJLGWKW-NSHDSACASA-N 0 0 301.308 3.184 1 0 DGAFRN COCCNc1ncnc2ccc(-c3ccc(N(C)C)cc3)cc21 ZINC000004258411 181088780 /nfs/dbraw/zinc/08/87/80/181088780.db2.gz OGBDUOFXOQKFNV-UHFFFAOYSA-N 0 0 322.412 3.421 1 0 DGAFRN COc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1 ZINC000004276021 181091560 /nfs/dbraw/zinc/09/15/60/181091560.db2.gz XCYGLGUUKXHSIE-UHFFFAOYSA-N 0 0 313.288 3.137 3 0 DGAFRN CC1CCN([C@H](c2nnnn2C(C)(C)C)c2ccccc2)CC1 ZINC000004373968 181103486 /nfs/dbraw/zinc/10/34/86/181103486.db2.gz NZNYJLMJUZNUEJ-INIZCTEOSA-N 0 0 313.449 3.249 3 0 DGAFRN CC(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000004656373 181132619 /nfs/dbraw/zinc/13/26/19/181132619.db2.gz OEAXNUBJOZGLSV-QGZVFWFLSA-N 0 0 311.381 3.268 3 0 DGAFRN CC[C@]1(C)NC(c2cnccn2)=NN1c1ccc(Cl)cc1 ZINC000073332424 191305261 /nfs/dbraw/zinc/30/52/61/191305261.db2.gz VICDSXJRDZDORS-OAHLLOKOSA-N 0 0 301.781 3.028 1 0 DGAFRN Cc1ccc2cc3c(N)nn(C(=O)c4cccc(F)c4)c3nc2c1 ZINC000004961908 181180037 /nfs/dbraw/zinc/18/00/37/181180037.db2.gz NUIGLJZEAAHJMP-UHFFFAOYSA-N 0 0 320.327 3.303 1 0 DGAFRN C[C@@]([NH3+])(C(=O)[O-])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000005445207 181243889 /nfs/dbraw/zinc/24/38/89/181243889.db2.gz HUBAYVPKJQJYSB-INIZCTEOSA-N 0 0 305.761 3.178 3 0 DGAFRN CCSC1=C[C@@H](Cc2ccc(OC)cc2)N(C(=O)OC)C1 ZINC000005811224 181285915 /nfs/dbraw/zinc/28/59/15/181285915.db2.gz RGANXAPVGHFFQT-CYBMUJFWSA-N 0 0 307.415 3.325 1 0 DGAFRN O=C1[C@@H]2[C@@H]3S[C@@H](c4ccccc43)[C@@H]2C(=O)N1c1ccccc1 ZINC000005884382 181292955 /nfs/dbraw/zinc/29/29/55/181292955.db2.gz WXWVOJOULGDMST-SYMSYNOKSA-N 0 0 307.374 3.335 1 0 DGAFRN Nc1nc2occ(COc3ccc4ccccc4c3)c2c(N)n1 ZINC000005975040 181302696 /nfs/dbraw/zinc/30/26/96/181302696.db2.gz YDFHNAXSZILGRP-UHFFFAOYSA-N 0 0 306.325 3.119 1 0 DGAFRN CN1c2ccc(Cl)nc2N(C2CC2)c2ncccc2C1=O ZINC000006481423 181344190 /nfs/dbraw/zinc/34/41/90/181344190.db2.gz NXORHDRQGQSENT-UHFFFAOYSA-N 0 0 300.749 3.021 1 0 DGAFRN Cc1ccc2c(c1)C(c1ccncc1)=NNC(c1cccnc1)=N2 ZINC000006533904 181350791 /nfs/dbraw/zinc/35/07/91/181350791.db2.gz GWKFYRACXBSRHQ-UHFFFAOYSA-N 0 0 313.364 3.219 1 0 DGAFRN Cc1cccc(CCNc2nnc3c4ccccc4n(C)c3n2)c1 ZINC000006781633 181387865 /nfs/dbraw/zinc/38/78/65/181387865.db2.gz APWKFXDPVVQWIZ-UHFFFAOYSA-N 0 0 317.396 3.480 1 0 DGAFRN CCCCN(CC)C(=O)c1noc2c1COc1ccccc1-2 ZINC000006817328 181394223 /nfs/dbraw/zinc/39/42/23/181394223.db2.gz SSZIKQMUNCXESZ-UHFFFAOYSA-N 0 0 300.358 3.496 1 0 DGAFRN Cc1ccc(NC(=O)C[C@H]2Oc3ccc(C)cc3NC2=O)c(C)c1 ZINC000006805753 181391794 /nfs/dbraw/zinc/39/17/94/181391794.db2.gz QGXQBDLZWNDXHK-QGZVFWFLSA-N 0 0 324.380 3.340 3 0 DGAFRN Nc1nc(N)c2cc(Nc3cccc4ccccc43)cnc2n1 ZINC000096269968 193608176 /nfs/dbraw/zinc/60/81/76/193608176.db2.gz FYVJZXPAFGSBNJ-UHFFFAOYSA-N 0 0 302.341 3.086 1 0 DGAFRN O=C(Nc1nc(C(=O)NC2CCCC2)cs1)c1cccs1 ZINC000008874556 181589456 /nfs/dbraw/zinc/58/94/56/181589456.db2.gz JRWZQVCZCJLEJH-UHFFFAOYSA-N 0 0 321.427 3.129 1 0 DGAFRN Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1 ZINC000013447843 181851668 /nfs/dbraw/zinc/85/16/68/181851668.db2.gz LHGRZBUIYQSMLQ-UHFFFAOYSA-N 0 0 316.360 3.054 1 0 DGAFRN O=C(c1ccco1)N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000013593317 181866116 /nfs/dbraw/zinc/86/61/16/181866116.db2.gz HHGJAZMNQYUXIH-LLVKDONJSA-N 0 0 319.307 3.293 3 0 DGAFRN COC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013610524 181868266 /nfs/dbraw/zinc/86/82/66/181868266.db2.gz LEOPSILMAOYZBO-IUTAEKPZSA-N 0 0 316.441 3.482 1 0 in-vivo DGAFRN COc1c(O)ccc2c1CCc1c(C)c(O)c(C)c(OC)c1-2 ZINC000015120901 181990016 /nfs/dbraw/zinc/99/00/16/181990016.db2.gz OEGNRAQRMQPIAM-UHFFFAOYSA-N 0 0 300.354 3.497 1 0 biogenic,in-vitro DGAFRN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)NCC[C@]43C)[C@@H]1CC[C@@H]2O ZINC000016953259 182065679 /nfs/dbraw/zinc/06/56/79/182065679.db2.gz UJPILRQDXJVBHX-XGYAJUMLSA-N 0 0 303.446 3.036 1 0 DGAFRN CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 ZINC000017315401 182082628 /nfs/dbraw/zinc/08/26/28/182082628.db2.gz MICZNRRTCUCNTP-FGGNREORSA-N 0 0 303.446 3.336 1 0 DGAFRN O=c1c2cc(F)c(F)cc2nc2n1Cc1cc3ccccc3nc1-2 ZINC000026168777 182431811 /nfs/dbraw/zinc/43/18/11/182431811.db2.gz KOXPLPDNHOYYAY-UHFFFAOYSA-N 0 0 321.286 3.252 1 0 DGAFRN CC(C)(C)CCn1cnc([C@H](C[C@H]2CC[C@H]([NH3+])C2)C(=O)[O-])c1 ZINC000026269499 182435105 /nfs/dbraw/zinc/43/51/05/182435105.db2.gz LDXGTVIJFDTJIE-IHRRRGAJSA-N 0 0 307.438 3.005 1 0 DGAFRN CSc1ccc(C[C@]2(C)C(=O)N(C)N=C2C(F)(F)F)cc1 ZINC000027305812 182468009 /nfs/dbraw/zinc/46/80/09/182468009.db2.gz XXUPPGPFWMFUKZ-ZDUSSCGKSA-N 0 0 316.348 3.348 1 0 DGAFRN CCOC(=O)[C@H](C)c1nc(=O)c2ccccc2n1-c1ccccc1 ZINC000027637118 182483836 /nfs/dbraw/zinc/48/38/36/182483836.db2.gz FTEDZUKQHLDVOP-CYBMUJFWSA-N 0 0 322.364 3.052 1 0 DGAFRN Cc1cccc(NC(=O)c2nc(C)ccc2Nc2cccnc2)n1 ZINC000028137726 182509977 /nfs/dbraw/zinc/50/99/77/182509977.db2.gz OZWWGORJEFGSDB-UHFFFAOYSA-N 0 0 319.368 3.484 1 0 DGAFRN C[C@H](c1ccccc1)n1cnc2c1nc(N)nc2-c1ccco1 ZINC000028523798 182526325 /nfs/dbraw/zinc/52/63/25/182526325.db2.gz FWPYDOWZSSHTGL-LLVKDONJSA-N 0 0 305.341 3.278 1 0 DGAFRN CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O ZINC000028950896 182546356 /nfs/dbraw/zinc/54/63/56/182546356.db2.gz RWPHLQMALCAXRT-UHFFFAOYSA-N 0 0 319.213 3.464 1 0 DGAFRN CCOC(=O)c1cn2c(cnc3cc(Cl)c(Cl)cc32)n1 ZINC000034216313 182730889 /nfs/dbraw/zinc/73/08/89/182730889.db2.gz RBIQYKAJXQLBMX-UHFFFAOYSA-N 0 0 310.140 3.366 1 0 DGAFRN Nc1cc(=O)[nH]c(SCc2ccc(-c3ccccc3)cc2)n1 ZINC000038982823 183013654 /nfs/dbraw/zinc/01/36/54/183013654.db2.gz UILOIZNPVUATLC-UHFFFAOYSA-N 0 0 309.394 3.311 1 0 DGAFRN CNc1nc(C)nc2c(-c3cccc(C(F)(F)F)c3)cnn21 ZINC000040380735 183058262 /nfs/dbraw/zinc/05/82/62/183058262.db2.gz LNXGQPWDPYOMHU-UHFFFAOYSA-N 0 0 307.279 3.160 1 0 DGAFRN O=C1CC2(CCCC2)C(=O)N1Nc1ccc(Br)cc1 ZINC000040380281 183058917 /nfs/dbraw/zinc/05/89/17/183058917.db2.gz DOFCROFHUXOIFR-UHFFFAOYSA-N 0 0 323.190 3.095 1 0 DGAFRN CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)cnc12 ZINC000040424732 183065404 /nfs/dbraw/zinc/06/54/04/183065404.db2.gz VYULTXKAEMEWOX-UHFFFAOYSA-N 0 0 322.412 3.225 1 0 DGAFRN CNc1nc2sc(NCc3ccccc3)nc2c2c1ncn2C ZINC000040431193 183065885 /nfs/dbraw/zinc/06/58/85/183065885.db2.gz XFIVFKDLJZTDDV-UHFFFAOYSA-N 0 0 324.413 3.232 1 0 DGAFRN O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 ZINC000040430728 183066118 /nfs/dbraw/zinc/06/61/18/183066118.db2.gz QCYXSEHOIKPNEU-UHFFFAOYSA-N 0 0 319.364 3.229 1 0 DGAFRN COc1ccc2c(c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N2 ZINC000040822547 183137297 /nfs/dbraw/zinc/13/72/97/183137297.db2.gz OSYQQCAGJPLYQG-ZFWWWQNUSA-N 0 0 304.390 3.214 1 0 DGAFRN Cc1nn(-c2ccccc2)c2nc3nc4c(c(N)c3cc12)CCC4 ZINC000040828293 183138112 /nfs/dbraw/zinc/13/81/12/183138112.db2.gz NIUMLIYCJRUSJA-UHFFFAOYSA-N 0 0 315.380 3.348 1 0 DGAFRN COc1ccc2c(c1)CCn1c-2cc2c1CC(C)(C)CNC2=O ZINC000040849220 183141940 /nfs/dbraw/zinc/14/19/40/183141940.db2.gz MFOQYAUVXKDULK-UHFFFAOYSA-N 0 0 310.397 3.032 1 0 DGAFRN CC(C)NC(=[NH2+])c1ccc2nc([N-]c3ncccn3)sc2c1 ZINC000040915386 183148068 /nfs/dbraw/zinc/14/80/68/183148068.db2.gz KVZUTOXFTZRKHE-UHFFFAOYSA-N 0 0 312.402 3.153 1 0 DGAFRN COc1cc2cc(C)[n+](-c3ccc(O)cc3)c(C)c2c(OC)c1 ZINC000040936693 183148762 /nfs/dbraw/zinc/14/87/62/183148762.db2.gz OTTHXCILZVTMMK-UHFFFAOYSA-O 0 0 310.373 3.456 1 0 DGAFRN CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2scnc2c1 ZINC000061908701 184194702 /nfs/dbraw/zinc/19/47/02/184194702.db2.gz ZGUSZTHYNOPXEK-INIZCTEOSA-N 0 0 317.414 3.026 3 0 DGAFRN [NH3+][C@@H](c1csc([N-]c2ncccn2)n1)c1ccccc1Cl ZINC000061925762 184195631 /nfs/dbraw/zinc/19/56/31/184195631.db2.gz BHEWSDFXDCPMDH-GFCCVEGCSA-N 0 0 317.805 3.378 3 0 DGAFRN C[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000061923323 184195775 /nfs/dbraw/zinc/19/57/75/184195775.db2.gz WVQPZFCJBKRKBA-WMLDXEAASA-N 0 0 308.381 3.314 3 0 DGAFRN NC(=O)NC[C@@H]1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)O1 ZINC000061959139 184198970 /nfs/dbraw/zinc/19/89/70/184198970.db2.gz LXOFSSNQWUMGMN-ROUUACIJSA-N 0 0 310.397 3.112 3 0 DGAFRN CC(C)(C)C(=O)OC[C@H]1C=C(c2cccc(Cl)c2)C(=O)OC1 ZINC000064559269 184299450 /nfs/dbraw/zinc/29/94/50/184299450.db2.gz LXEZWUWTDKQGHG-NSHDSACASA-N 0 0 322.788 3.486 1 0 DGAFRN COc1cc2cc(C(=O)c3ccccc3)[nH]c2c(OC)c1OC ZINC000066098302 184388760 /nfs/dbraw/zinc/38/87/60/184388760.db2.gz OKXIITLLPWQSQQ-UHFFFAOYSA-N 0 0 311.337 3.425 1 0 DGAFRN COC(=O)C/C=C/[C@@H](C)[C@@H](O)c1ccccc1Br ZINC000066148347 184392941 /nfs/dbraw/zinc/39/29/41/184392941.db2.gz RUYYFELYMKWMJF-JLULYGEWSA-N 0 0 313.191 3.238 1 0 DGAFRN C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CN(CCO)C(=O)c1ccc(Cl)cc1 ZINC000005752278 300687854 /nfs/dbraw/zinc/68/78/54/300687854.db2.gz LKJLMYKYKMDEBY-PWXKEOIMSA-N 0 0 321.848 3.457 1 0 in-man DGAFRN COc1ccc(C(=O)CCc2c(OC)cc(O)cc2OC)cc1 ZINC000048999705 560085123 /nfs/dbraw/zinc/08/51/23/560085123.db2.gz SQOAYFPNWVZJQO-UHFFFAOYSA-N 0 0 316.353 3.234 1 0 biogenic,in-vitro DGAFRN CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000033830042 560088895 /nfs/dbraw/zinc/08/88/95/560088895.db2.gz MPDUJZZNNBJFAB-FBMYKKSQSA-N 0 0 320.473 3.322 1 0 biogenic,in-vitro DGAFRN COc1c(C)c(O)c2c(c1OC)CCc1c(O)cccc1O2 ZINC000013480382 560217261 /nfs/dbraw/zinc/21/72/61/560217261.db2.gz PVDUOXDXTUMWSM-UHFFFAOYSA-N 0 0 302.326 3.314 1 0 biogenic,in-vitro DGAFRN O=Cc1cccc2c(=O)n3c(cc12)-c1nc2ccccc2cc1C3 ZINC000014442542 560221453 /nfs/dbraw/zinc/22/14/53/560221453.db2.gz QPSJLGLIEYKXFK-UHFFFAOYSA-N 0 0 312.328 3.391 1 0 biogenic,in-vitro DGAFRN C=C/C(C)=C\C[C@H]1[C@@](C)(O)[C@@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000100781045 571834637 /nfs/dbraw/zinc/83/46/37/571834637.db2.gz JEZOMVOAWYLQAJ-SHRBPMDHSA-N 0 0 322.489 3.444 1 0 endogenous,in-man DGAFRN CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C ZINC000095553338 185379519 /nfs/dbraw/zinc/37/95/19/185379519.db2.gz BWFHQUWTZYXJKW-UHFFFAOYSA-N 0 0 304.434 3.409 1 0 DGAFRN CC(C)(C)c1ccc(C(=O)Nc2cn3cc(CO)ccc3n2)cc1 ZINC000095557890 185379840 /nfs/dbraw/zinc/37/98/40/185379840.db2.gz MICFWOWLBSARJN-UHFFFAOYSA-N 0 0 323.396 3.376 1 0 DGAFRN COc1cc(/C=C/C(=O)N2[C@H](C)CCC[C@@H]2C)cc2c1OCO2 ZINC000095564064 185380124 /nfs/dbraw/zinc/38/01/24/185380124.db2.gz UPWNLKGDKSJRTN-LZGDYBNZSA-N 0 0 317.385 3.227 1 0 DGAFRN Cc1c(C)c2ccc(OCC3N=NC(=S)S3)cc2oc1=O ZINC000095579816 185380845 /nfs/dbraw/zinc/38/08/45/185380845.db2.gz BEQHZKCBHKEYQI-UHFFFAOYSA-N 0 0 320.395 3.129 1 0 DGAFRN COc1ccc2sc(CNc3nncc(C(C)C)n3)nc2c1 ZINC000095582668 185380976 /nfs/dbraw/zinc/38/09/76/185380976.db2.gz KYAPTKFSRQZTTM-UHFFFAOYSA-N 0 0 315.402 3.225 1 0 DGAFRN CNc1nc(Nc2cnn(C(C)C)c2C)ncc1C(F)(F)F ZINC000095585753 185381723 /nfs/dbraw/zinc/38/17/23/185381723.db2.gz DGQIJLFCHQYFDC-UHFFFAOYSA-N 0 0 314.315 3.367 1 0 DGAFRN c1ncc(-c2nnc3ccc(Sc4ccccc4)nn32)s1 ZINC000095601541 185382471 /nfs/dbraw/zinc/38/24/71/185382471.db2.gz AHJLBCRMKRMIQJ-UHFFFAOYSA-N 0 0 311.395 3.399 1 0 DGAFRN CCOP(=O)(CCC(=O)Nc1cccc(OC)c1)OCC ZINC000096907974 185390805 /nfs/dbraw/zinc/39/08/05/185390805.db2.gz BWOGKXPAFNQEMX-UHFFFAOYSA-N 0 0 315.306 3.290 1 0 DGAFRN Oc1ccc(/C=C/[C@H]2C[C@H](O)C[C@@H](c3ccc(O)cc3)O2)cc1 ZINC000096908761 185391092 /nfs/dbraw/zinc/39/10/92/185391092.db2.gz GBYSOQCWRCFSHV-CAPMNFNCSA-N 0 0 312.365 3.392 1 0 DGAFRN Cc1nnc(SCc2coc3ccc(Cl)cc3c2=O)o1 ZINC000096911305 185391098 /nfs/dbraw/zinc/39/10/98/185391098.db2.gz NTHLXGMFFZKBIE-UHFFFAOYSA-N 0 0 308.746 3.430 1 0 DGAFRN O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccccc1F ZINC000096915289 185391571 /nfs/dbraw/zinc/39/15/71/185391571.db2.gz HHCLGAAQDLMHRV-UHFFFAOYSA-N 0 0 323.287 3.004 1 0 DGAFRN Cc1csc(NC(=O)c2cccc(Oc3cncnc3)c2)n1 ZINC000096939168 185392912 /nfs/dbraw/zinc/39/29/12/185392912.db2.gz HBQXKBHHJWJRLY-UHFFFAOYSA-N 0 0 312.354 3.286 1 0 DGAFRN COc1cc(C(=O)c2nc3ccccc3o2)cc(OC)c1OC ZINC000072108089 191037335 /nfs/dbraw/zinc/03/73/35/191037335.db2.gz SRMRYTACTNSSDR-UHFFFAOYSA-N 0 0 313.309 3.085 1 0 DGAFRN C/C=C/OC(=O)N[C@@H](c1ccccc1)[C@@]1(C(C)=O)CCCC1=O ZINC000072137717 191048582 /nfs/dbraw/zinc/04/85/82/191048582.db2.gz ZUERLKAKQMUYDU-BLVVTIEASA-N 0 0 315.369 3.316 1 0 DGAFRN Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc21 ZINC000072175727 191071370 /nfs/dbraw/zinc/07/13/70/191071370.db2.gz BTNNZWURLUOUIL-UHFFFAOYSA-N 0 0 304.353 3.283 1 0 DGAFRN CCCCn1cc(C(=O)NCc2cccnc2)c2cccnc21 ZINC000072323461 191121722 /nfs/dbraw/zinc/12/17/22/191121722.db2.gz JRSNHGTZJCCUQF-UHFFFAOYSA-N 0 0 308.385 3.161 2 0 DGAFRN CC(=O)c1cc2ncc(C(=O)NCc3ccc(C)cc3)cc2[nH]1 ZINC000072322839 191122177 /nfs/dbraw/zinc/12/21/77/191122177.db2.gz KLQVCOCCVPVUAA-UHFFFAOYSA-N 0 0 307.353 3.004 2 0 DGAFRN O[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C2=NCCN21 ZINC000003614844 181041520 /nfs/dbraw/zinc/04/15/20/181041520.db2.gz HIXQQSRYYLKPER-INIZCTEOSA-N 0 0 319.191 3.263 1 0 DGAFRN COc1ccc2nc(C)c3c(C)nc(-c4ccc(C)nc4)n3c2n1 ZINC000073196242 191290710 /nfs/dbraw/zinc/29/07/10/191290710.db2.gz VMEUPRBQHDBTRG-UHFFFAOYSA-N 0 0 319.368 3.273 1 0 DGAFRN CO/C(=C\c1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000073198628 191291759 /nfs/dbraw/zinc/29/17/59/191291759.db2.gz QGSJKUKTGYZNLH-ATVHPVEESA-N 0 0 313.353 3.330 1 0 DGAFRN CC(=O)O[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1 ZINC000073220752 191294631 /nfs/dbraw/zinc/29/46/31/191294631.db2.gz SAENKYVBAKDRBL-RBUKOAKNSA-N 0 0 321.380 3.366 1 0 DGAFRN C=CC1=C(C(=O)NCC(C)C)[C@H](c2ccc(OC)cc2)OC1 ZINC000073224535 191295933 /nfs/dbraw/zinc/29/59/33/191295933.db2.gz HGBNCQLKJCNHHI-KRWDZBQOSA-N 0 0 301.386 3.021 1 0 DGAFRN COc1cc2ncnc(N[C@@H]3C[C@H]3c3ccccc3)c2cc1O ZINC000004617810 181130078 /nfs/dbraw/zinc/13/00/78/181130078.db2.gz CQIGCEDRWOCRQD-SWLSCSKDSA-N 0 0 307.353 3.312 1 0 DGAFRN CCc1c(C)nc2ncnn2c1N[C@H]1CCCc2ccccc21 ZINC000004898075 181170054 /nfs/dbraw/zinc/17/00/54/181170054.db2.gz CPRLZQHBFOESQA-INIZCTEOSA-N 0 0 307.401 3.485 3 0 DGAFRN O=C(CSc1c2c(nc3ccccc31)CCC2)N1CCCC1 ZINC000004923735 181173774 /nfs/dbraw/zinc/17/37/74/181173774.db2.gz GGSIUOLGBXSBBQ-UHFFFAOYSA-N 0 0 312.438 3.438 3 0 DGAFRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)Cn1cc2c(n1)CCCCC2 ZINC000005148785 181209257 /nfs/dbraw/zinc/20/92/57/181209257.db2.gz COFHAMQZCYUKLI-LZWOXQAQSA-N 0 0 303.450 3.093 1 0 DGAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1n[nH]nc12 ZINC000005503648 181250751 /nfs/dbraw/zinc/25/07/51/181250751.db2.gz BZPYOPXMDGFZDN-HVVPCYGRSA-N 0 0 313.445 3.142 1 0 DGAFRN Cc1ccnc(N2C(=O)CS[C@H]2c2c(F)cccc2F)c1 ZINC000005931458 181297413 /nfs/dbraw/zinc/29/74/13/181297413.db2.gz NRNTZKJLIWRPHG-HNNXBMFYSA-N 0 0 306.337 3.447 1 0 DGAFRN O=C1N2CCCN2[C@H](c2cccnc2)N1c1ccc(Cl)cc1 ZINC000006548229 181353236 /nfs/dbraw/zinc/35/32/36/181353236.db2.gz DKKABQRYJMNJIB-HNNXBMFYSA-N 0 0 314.776 3.297 3 0 DGAFRN Oc1ccc(Cn2cnc3ncc(-c4cccs4)nc32)cc1 ZINC000006718801 181376362 /nfs/dbraw/zinc/37/63/62/181376362.db2.gz BZKMVPNSSFDJPN-UHFFFAOYSA-N 0 0 308.366 3.309 1 0 DGAFRN COc1ccc(-c2noc(=O)n2Cc2ccccc2Cl)cc1 ZINC000006724430 181377573 /nfs/dbraw/zinc/37/75/73/181377573.db2.gz GYVWLUOQFYRMDJ-UHFFFAOYSA-N 0 0 316.744 3.214 3 0 DGAFRN CCc1ccc([C@H]2N=C3Oc4ccccc4C=C3C(=O)N2)cc1 ZINC000006817620 181394281 /nfs/dbraw/zinc/39/42/81/181394281.db2.gz GIGUBHAOMGYTMR-QGZVFWFLSA-N 0 0 304.349 3.252 1 0 DGAFRN Cc1cc(C)c(S(=O)(=O)n2ccc3ncccc32)c(C)c1 ZINC000095595904 193448064 /nfs/dbraw/zinc/44/80/64/193448064.db2.gz PBZFFXKJJRBRPT-UHFFFAOYSA-N 0 0 300.383 3.199 1 0 DGAFRN COc1ccc(Cn2cnc3c2ncnc3-c2ccco2)cc1 ZINC000009294753 181611810 /nfs/dbraw/zinc/61/18/10/181611810.db2.gz XPTANGNGNVEMAB-UHFFFAOYSA-N 0 0 306.325 3.143 1 0 DGAFRN COc1ccc2c(c1)[C@@H](CCNC(C)=O)Cc1ccccc1C2 ZINC000013581665 181864899 /nfs/dbraw/zinc/86/48/99/181864899.db2.gz TWMLCXWVBHGTFP-SFHVURJKSA-N 0 0 309.409 3.452 1 0 DGAFRN O=c1cc(N2CCOCC2)oc2ccc(-c3cccc(O)c3)cc12 ZINC000013677117 181877756 /nfs/dbraw/zinc/87/77/56/181877756.db2.gz PLPMLPUPRLWRRG-UHFFFAOYSA-N 0 0 323.348 3.002 1 0 in-vivo DGAFRN Cc1ccc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c[nH]c2c1 ZINC000013737450 181886426 /nfs/dbraw/zinc/88/64/26/181886426.db2.gz XZSHXGFHRFTVCV-WMZOPIPTSA-N 0 0 323.421 3.458 1 0 DGAFRN O[C@]12c3ccccc3[C@H]1[C@@H]1[C@@H](CCC13OCCO3)c1ccccc12 ZINC000017220296 182080234 /nfs/dbraw/zinc/08/02/34/182080234.db2.gz ZXAGLSDEXKRMRM-CMBBURJTSA-N 0 0 320.388 3.270 1 0 DGAFRN C[NH+](C)CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000022859466 182337669 /nfs/dbraw/zinc/33/76/69/182337669.db2.gz HPWNAQYMZWECFY-FQEVSTJZSA-N 0 0 320.440 3.072 1 0 DGAFRN CC(C)(C)OC[C@@H]1CN2C(=O)CC[C@]2(c2ccc(Cl)cc2)O1 ZINC000027521403 182474168 /nfs/dbraw/zinc/47/41/68/182474168.db2.gz NHCFZTOABRFTOW-WMLDXEAASA-N 0 0 323.820 3.329 1 0 DGAFRN CCN1CCN=C(c2cccc(Cl)c2)c2c(C)nn(C)c21 ZINC000028097363 182508899 /nfs/dbraw/zinc/50/88/99/182508899.db2.gz HLSBRLQJFDHTIT-UHFFFAOYSA-N 0 0 302.809 3.059 1 0 DGAFRN COc1cc(C(=O)c2cccc3[nH]ccc32)cc(OC)c1OC ZINC000028710785 182535949 /nfs/dbraw/zinc/53/59/49/182535949.db2.gz CLUMHWYRLGICLP-UHFFFAOYSA-N 0 0 311.337 3.425 1 0 DGAFRN COc1cc(C(=O)c2cccc3cc[nH]c32)cc(OC)c1OC ZINC000028710788 182536091 /nfs/dbraw/zinc/53/60/91/182536091.db2.gz KQTJLKJMFZTUKF-UHFFFAOYSA-N 0 0 311.337 3.425 1 0 DGAFRN O=C(c1cnn2c1N[C@H](c1ccccc1)C2)N1CCCCCC1 ZINC000028704426 182536236 /nfs/dbraw/zinc/53/62/36/182536236.db2.gz JQTUYUAMTRKPEI-INIZCTEOSA-N 0 0 310.401 3.066 1 0 DGAFRN CC(=O)c1c2cc[nH]c2c(C(=O)Nc2cccc(C)n2)nc1C ZINC000101539894 193818380 /nfs/dbraw/zinc/81/83/80/193818380.db2.gz CQWJMZNRRBUBPV-UHFFFAOYSA-N 0 0 308.341 3.030 1 0 DGAFRN [O-][n+]1onc(-c2ccccc2)c1CNc1ccc(Cl)cc1 ZINC000039175033 183014702 /nfs/dbraw/zinc/01/47/02/183014702.db2.gz VSYYMLCWIINOIE-UHFFFAOYSA-N 0 0 301.733 3.241 1 0 DGAFRN CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]1(O)C[C@H]3C[C@]12CC[C@]3(C)O ZINC000040422111 183064574 /nfs/dbraw/zinc/06/45/74/183064574.db2.gz MTQGAPRVNHQNCD-QQOBTVJVSA-N 0 0 322.489 3.256 1 0 DGAFRN COc1ccc2c(c1)OC=C(c1ccc(OC)c(OC)c1)[C@H]2O ZINC000040465205 183071991 /nfs/dbraw/zinc/07/19/91/183071991.db2.gz WCBLYLSEIFDBFU-SFHVURJKSA-N 0 0 314.337 3.179 1 0 DGAFRN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nnc(C(C)C)o1 ZINC000040565864 183103906 /nfs/dbraw/zinc/10/39/06/183103906.db2.gz XPAUHZPCDDOFJM-JTQLQIEISA-N 0 0 311.382 3.069 1 0 DGAFRN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccsc2)N1 ZINC000040786551 183134022 /nfs/dbraw/zinc/13/40/22/183134022.db2.gz FXNCDQCRASUMQV-CABCVRRESA-N 0 0 312.394 3.006 1 0 DGAFRN C[C@@]1(CO)OC(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000040828723 183138534 /nfs/dbraw/zinc/13/85/34/183138534.db2.gz PWERRLSSZRCTDA-BVRUVYRISA-N 0 0 318.413 3.214 1 0 DGAFRN COc1cccc(Nc2nc(-c3ccccn3)ncc2OC)c1 ZINC000040892498 183146402 /nfs/dbraw/zinc/14/64/02/183146402.db2.gz ZURTUAPORLJXKN-UHFFFAOYSA-N 0 0 308.341 3.299 1 0 DGAFRN CCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 ZINC000040896913 183146959 /nfs/dbraw/zinc/14/69/59/183146959.db2.gz CYYAPSPMQLAUOB-UHFFFAOYSA-N 0 0 307.353 3.497 1 0 DGAFRN CCCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 ZINC000040940305 183149670 /nfs/dbraw/zinc/14/96/70/183149670.db2.gz FPQNNGRMQUCKJS-UHFFFAOYSA-N 0 0 320.820 3.361 1 0 DGAFRN O=S(=O)(/C(Cl)=C/c1ccc2c(c1)OCO2)c1ccccc1 ZINC000040940315 183150148 /nfs/dbraw/zinc/15/01/48/183150148.db2.gz UTDUSCQDIHYFTE-OQLLNIDSSA-N 0 0 322.769 3.426 1 0 DGAFRN C=C(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000040976298 183153625 /nfs/dbraw/zinc/15/36/25/183153625.db2.gz CNGKIRSNRQSORA-UHFFFAOYSA-N 0 0 316.353 3.488 1 0 DGAFRN O=c1cc(-c2cccc3ncccc32)[nH]c2cc3c(cc12)OCO3 ZINC000043016916 183328376 /nfs/dbraw/zinc/32/83/76/183328376.db2.gz KFNZGAGFCDFLSM-UHFFFAOYSA-N 0 0 316.316 3.472 1 0 DGAFRN CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccccc1 ZINC000043024235 183331143 /nfs/dbraw/zinc/33/11/43/183331143.db2.gz RJAWRVGDNGTZQK-UHFFFAOYSA-N 0 0 305.337 3.475 1 0 DGAFRN CCOC(=O)c1c(O)c2ccc(OC)cc2nc1-c1ccccc1 ZINC000049070605 183710258 /nfs/dbraw/zinc/71/02/58/183710258.db2.gz ZZPCLTIJTRXIST-UHFFFAOYSA-N 0 0 323.348 3.380 1 0 DGAFRN CCc1ccc([C@H]2N3CCC[C@@H]3C(=O)N2c2cc(C)on2)cc1 ZINC000058047730 184070583 /nfs/dbraw/zinc/07/05/83/184070583.db2.gz JBSSOZJDJICSQE-WBVHZDCISA-N 0 0 311.385 3.055 1 0 DGAFRN O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000058046506 184070724 /nfs/dbraw/zinc/07/07/24/184070724.db2.gz DJUHCNIOYKAEKS-GDBMZVCRSA-N 0 0 313.788 3.245 3 0 DGAFRN Cn1c(-c2ccccc2)nc2c1ncnc2NCc1cccnc1 ZINC000058603446 184124804 /nfs/dbraw/zinc/12/48/04/184124804.db2.gz HATOXKGMYZMHLD-UHFFFAOYSA-N 0 0 316.368 3.037 1 0 DGAFRN COc1ccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cn1 ZINC000061903673 184193532 /nfs/dbraw/zinc/19/35/32/184193532.db2.gz YJGKKJYTGDECBU-HNNXBMFYSA-N 0 0 316.357 3.435 3 0 DGAFRN Cc1ccc(NC(=O)[C@]2(C)CCN2CCc2ccccc2)cc1O ZINC000061908956 184194500 /nfs/dbraw/zinc/19/45/00/184194500.db2.gz ZLMKYGLKPSTTTA-FQEVSTJZSA-N 0 0 324.424 3.346 3 0 DGAFRN CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000061906990 184194527 /nfs/dbraw/zinc/19/45/27/184194527.db2.gz BNJNQFFNYPIZFJ-GOSISDBHSA-N 0 0 302.418 3.281 3 0 DGAFRN COc1ccc(CN2Cc3cnnn3-c3ccccc3[C@H]2C)cc1 ZINC000061943108 184198038 /nfs/dbraw/zinc/19/80/38/184198038.db2.gz XLQBDOTUBYHNRZ-CQSZACIVSA-N 0 0 320.396 3.353 3 0 DGAFRN Nc1ccc(-c2cc3ccccc3c(=O)n2CCCCCO)cc1 ZINC000061949482 184198497 /nfs/dbraw/zinc/19/84/97/184198497.db2.gz WZCIKJSSLBAMDW-UHFFFAOYSA-N 0 0 322.408 3.413 3 0 DGAFRN COc1cc2c(cc1OC)CCC(/C=C/C(=O)NCC(C)C)=C2 ZINC000064499424 184298835 /nfs/dbraw/zinc/29/88/35/184298835.db2.gz IDNSVYMKZHOAQO-SOFGYWHQSA-N 0 0 315.413 3.362 1 0 DGAFRN COc1ccc(-c2csc3c2C2=NCCN2C=N3)cc1OC ZINC000064539507 184299017 /nfs/dbraw/zinc/29/90/17/184299017.db2.gz ONISCQPTIKAOKY-UHFFFAOYSA-N 0 0 313.382 3.168 1 0 DGAFRN CCn1ncc2c1ncnc2Nc1ccc(OC(F)(F)F)cc1 ZINC000064549520 184299863 /nfs/dbraw/zinc/29/98/63/184299863.db2.gz SAXPEWWZWJCVAP-UHFFFAOYSA-N 0 0 323.278 3.488 1 0 DGAFRN CC1=C[C@H](C)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12 ZINC000066129019 184391236 /nfs/dbraw/zinc/39/12/36/184391236.db2.gz OLBNLPMDOPZNSD-LKFCYVNXSA-N 0 0 308.175 3.352 1 0 DGAFRN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCc2ccccc2C1 ZINC000028887188 431710088 /nfs/dbraw/zinc/71/00/88/431710088.db2.gz WJEOVZCPVSJPQG-KRWDZBQOSA-N 0 0 304.393 3.384 1 0 DGAFRN Cc1ccc2nc(N3CCc4ccccc43)c3nncn3c2c1 ZINC000006803014 281157112 /nfs/dbraw/zinc/15/71/12/281157112.db2.gz BJXNORBUVQGLJZ-UHFFFAOYSA-N 0 0 301.353 3.280 1 0 DGAFRN COc1ccc2c(c1O)C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000014818450 560226674 /nfs/dbraw/zinc/22/66/74/560226674.db2.gz UIUCLSWUIMIFGM-SUNYJGFJSA-N 0 0 304.386 3.042 1 0 biogenic,in-vitro DGAFRN C=C/C(C)=C\C[C@@H]1[C@]2(C)CCCC(C)(C)[C@H]2[C@H](O)[C@H](O)[C@@]1(C)O ZINC000100781049 571834657 /nfs/dbraw/zinc/83/46/57/571834657.db2.gz JEZOMVOAWYLQAJ-LVTGYTAZSA-N 0 0 322.489 3.444 1 0 endogenous,in-man DGAFRN CN(CCc1ccc2c(c1)OCO2)C(=O)/C=C\c1ccccc1 ZINC000141334752 1202518230 /nfs/dbraw/zinc/51/82/30/1202518230.db2.gz PCXRUVHNIPHZBD-NTMALXAHSA-N 0 0 309.365 3.130 1 0 DGAFRN c1csc(-c2cnc3sc(NCC4CCOCC4)nn23)c1 ZINC000117607128 581091101 /nfs/dbraw/zinc/09/11/01/581091101.db2.gz LVVHGBHCFCKIPX-UHFFFAOYSA-N 0 0 320.443 3.358 1 0 DGAFRN O=C(Nc1nc2ccc(O)cc2s1)c1cc(O)ccc1F ZINC000095553775 185378990 /nfs/dbraw/zinc/37/89/90/185378990.db2.gz UFBYJINGGRNSFO-UHFFFAOYSA-N 0 0 304.302 3.099 1 0 DGAFRN O=C(Nc1nc2ccc(O)cc2s1)c1c(F)ccc(O)c1F ZINC000095554209 185379717 /nfs/dbraw/zinc/37/97/17/185379717.db2.gz WAIPUKHVRXNDDF-UHFFFAOYSA-N 0 0 322.292 3.238 1 0 DGAFRN CC(=O)Nc1nc(C)c(-c2cnc(CC(F)(F)F)o2)s1 ZINC000095564010 185380111 /nfs/dbraw/zinc/38/01/11/185380111.db2.gz UULIVRWXUZHWBK-UHFFFAOYSA-N 0 0 305.281 3.170 1 0 DGAFRN Clc1ccc(CSc2nnc(-c3cnccn3)o2)cc1 ZINC000095571983 185380441 /nfs/dbraw/zinc/38/04/41/185380441.db2.gz UEMPKLYGZULRCF-UHFFFAOYSA-N 0 0 304.762 3.472 1 0 DGAFRN O=C1O[C@]2(Oc3c(ccc4ccccc34)C2=O)c2ccccc21 ZINC000095586478 185381425 /nfs/dbraw/zinc/38/14/25/185381425.db2.gz PYOZRJLJBNCTJF-LJQANCHMSA-N 0 0 302.285 3.438 1 0 DGAFRN COc1cc(C(=O)c2ccc3ocnc3c2)cc(OC)c1OC ZINC000095585591 185381628 /nfs/dbraw/zinc/38/16/28/185381628.db2.gz ODJAINULZVXIDU-UHFFFAOYSA-N 0 0 313.309 3.085 1 0 DGAFRN COc1ccc(-c2nnc(-c3ccc(O)cc3O)s2)cc1 ZINC000095587999 185381758 /nfs/dbraw/zinc/38/17/58/185381758.db2.gz VPIWBAQUZNZAAJ-UHFFFAOYSA-N 0 0 300.339 3.292 1 0 DGAFRN COC(=O)[C@H](C)Sc1ccc2ncc(-c3cccs3)n2n1 ZINC000095605809 185382834 /nfs/dbraw/zinc/38/28/34/185382834.db2.gz YLJAVFRABAJJBD-VIFPVBQESA-N 0 0 319.411 3.111 1 0 DGAFRN CCN1CCc2c(c(C)nn2C(=O)Nc2cc(C)ccc2C)C1 ZINC000096917453 185391566 /nfs/dbraw/zinc/39/15/66/185391566.db2.gz KFMDDFHPOHVRRU-UHFFFAOYSA-N 0 0 312.417 3.267 1 0 DGAFRN COc1cc(COc2ccc3ccc(=O)oc3c2)cc(OC)c1 ZINC000103276254 185443284 /nfs/dbraw/zinc/44/32/84/185443284.db2.gz WSXYLEHEQXPHSL-UHFFFAOYSA-N 0 0 312.321 3.389 1 0 DGAFRN COC(=O)c1oc2ccccc2c1NC(=O)CNc1ccccc1 ZINC000064528446 190702903 /nfs/dbraw/zinc/70/29/03/190702903.db2.gz UEKUORJODOVLMQ-UHFFFAOYSA-N 0 0 324.336 3.270 1 0 DGAFRN COc1cc2c(c(OC)c1OC)-c1c(c3ccccc3n1C)C2=O ZINC000084616499 192446437 /nfs/dbraw/zinc/44/64/37/192446437.db2.gz PLNOFYVHTWEQEP-UHFFFAOYSA-N 0 0 323.348 3.416 1 0 DGAFRN C[S@@](=N)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 ZINC000072108004 191037399 /nfs/dbraw/zinc/03/73/99/191037399.db2.gz KWEKFTIAFYJSFX-JOCHJYFZSA-N 0 0 313.378 3.190 1 0 DGAFRN COc1cc2oc(=O)cc(CN3CCCCC3)c2cc1Cl ZINC000072135062 191046382 /nfs/dbraw/zinc/04/63/82/191046382.db2.gz QSWXKBSQAZDIKO-UHFFFAOYSA-N 0 0 307.777 3.441 3 0 DGAFRN CCOC(=O)c1nn(C(=O)c2ccc(C)cc2)c2ccccc21 ZINC000072177803 191070924 /nfs/dbraw/zinc/07/09/24/191070924.db2.gz WCNYPCLXORJHQM-UHFFFAOYSA-N 0 0 308.337 3.210 1 0 DGAFRN CC(C)(C)n1cc([C@@H](O)c2ccc3c(c2)C=CC(C)(C)O3)nn1 ZINC000072182024 191072290 /nfs/dbraw/zinc/07/22/90/191072290.db2.gz BDPVJXVYZZHAJP-INIZCTEOSA-N 0 0 313.401 3.299 1 0 DGAFRN CCN(CC)C(=O)COC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000072179679 191072369 /nfs/dbraw/zinc/07/23/69/191072369.db2.gz YPVCEGMQTPHQBE-OAHLLOKOSA-N 0 0 319.445 3.400 1 0 DGAFRN Clc1ncnc2c1ncn2C[C@H]1CSc2ccccc2O1 ZINC000072179359 191072579 /nfs/dbraw/zinc/07/25/79/191072579.db2.gz QPGQZOILNCQDGW-VIFPVBQESA-N 0 0 318.789 3.033 1 0 DGAFRN COc1ccc(NC(=O)[C@@H](C)F)cc1C(=O)Nc1ccccc1 ZINC000084669575 192452350 /nfs/dbraw/zinc/45/23/50/192452350.db2.gz ZWPXTKVHMJZVGI-LLVKDONJSA-N 0 0 316.332 3.244 1 0 DGAFRN Cn1nc(-c2ccnc(Nc3ccc(O)cc3)n2)c2ccccc21 ZINC000084740738 192464766 /nfs/dbraw/zinc/46/47/66/192464766.db2.gz PSXREBMTZRPYSM-UHFFFAOYSA-N 0 0 317.352 3.480 1 0 DGAFRN C/C=C(\C)C(=O)OC/C=C/c1ccc(OC(C)=O)c(OC)c1 ZINC000085529954 290912515 /nfs/dbraw/zinc/91/25/15/290912515.db2.gz GZZZGYBTVVSDGQ-WDNXFHRVSA-N 0 0 304.342 3.143 1 0 biogenic,in-vitro DGAFRN O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCCC1 ZINC000072323230 191121522 /nfs/dbraw/zinc/12/15/22/191121522.db2.gz PYEDDPZWCWAMQF-UHFFFAOYSA-N 0 0 305.381 3.321 2 0 DGAFRN CC(=O)c1cc2cc(C(=O)NCCCc3ccccc3)cnc2[nH]1 ZINC000072323879 191122237 /nfs/dbraw/zinc/12/22/37/191122237.db2.gz LFBNIKVSMAFDEL-UHFFFAOYSA-N 0 0 321.380 3.128 2 0 DGAFRN O=c1[nH]c2c(-c3c(F)cccc3Cl)nnn2c2ccccc12 ZINC000002693064 180946653 /nfs/dbraw/zinc/94/66/53/180946653.db2.gz CWTMIHQGARHUKM-UHFFFAOYSA-N 0 0 314.707 3.443 1 0 DGAFRN CNc1ncnc(Nc2cccc(Br)c2)c1N=O ZINC000073140334 191282549 /nfs/dbraw/zinc/28/25/49/191282549.db2.gz JWFQIIJEBLJDCB-UHFFFAOYSA-N 0 0 308.139 3.422 1 0 DGAFRN CC(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)C1 ZINC000073162120 191286857 /nfs/dbraw/zinc/28/68/57/191286857.db2.gz ANDXUFGMYCHXJQ-VXGBXAGGSA-N 0 0 313.195 3.162 1 0 DGAFRN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1Cc1ccccc1 ZINC000073166008 191288490 /nfs/dbraw/zinc/28/84/90/191288490.db2.gz JHPBGDBTBGLGOG-LJQANCHMSA-N 0 0 320.392 3.268 1 0 DGAFRN CCOc1ccc(CCNc2ncnc3ccc(N)cc32)cc1 ZINC000003629217 181043016 /nfs/dbraw/zinc/04/30/16/181043016.db2.gz AVVJBDXGPHLCHN-UHFFFAOYSA-N 0 0 308.385 3.265 1 0 DGAFRN Cc1cc2ccccc2c(=O)n1CC(=O)NCCC1=CCCCC1 ZINC000003654722 181044110 /nfs/dbraw/zinc/04/41/10/181044110.db2.gz WKOFYTMIZGPULP-UHFFFAOYSA-N 0 0 324.424 3.317 3 0 DGAFRN O=C(NCCc1ccccc1)c1noc2c1CCc1ccccc1-2 ZINC000003909400 181056935 /nfs/dbraw/zinc/05/69/35/181056935.db2.gz OUBOUYMEWYBGOF-UHFFFAOYSA-N 0 0 318.376 3.413 3 0 DGAFRN Nc1ccc(-c2c[nH]c3ccc(-c4cnccn4)cc32)c(F)n1 ZINC000073258003 191297210 /nfs/dbraw/zinc/29/72/10/191297210.db2.gz ZAZHHFGHOUJWKE-UHFFFAOYSA-N 0 0 305.316 3.408 1 0 DGAFRN COc1ccc(O)c(-c2cc(-c3ccc(F)cc3)nc(N)n2)c1 ZINC000073276571 191300025 /nfs/dbraw/zinc/30/00/25/191300025.db2.gz MSLRHWMGUIOYGL-UHFFFAOYSA-N 0 0 311.316 3.246 1 0 DGAFRN CC1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccccc2)CC1 ZINC000004373970 181103230 /nfs/dbraw/zinc/10/32/30/181103230.db2.gz NZNYJLMJUZNUEJ-MRXNPFEDSA-N 0 0 313.449 3.249 3 0 DGAFRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CCC(=O)NCc1ccccc1 ZINC000004616995 181129898 /nfs/dbraw/zinc/12/98/98/181129898.db2.gz WUSXKSAGEZGWMQ-UXLLHSPISA-N 0 0 316.445 3.024 1 0 DGAFRN CCOc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1 ZINC000073297058 191302740 /nfs/dbraw/zinc/30/27/40/191302740.db2.gz NQZBRDYJJKNNBC-UHFFFAOYSA-N 0 0 303.753 3.228 1 0 DGAFRN COc1ccc([S@@](=O)Cc2cc(OC)ccc2OC)cc1 ZINC000006411516 181338841 /nfs/dbraw/zinc/33/88/41/181338841.db2.gz JUHWKKKZJJGMMI-OAQYLSRUSA-N 0 0 306.383 3.020 1 0 DGAFRN CC(C)c1ccc(-c2nc(N3CCCC3)nc3n[nH]c(N)c32)cc1 ZINC000006504201 181346464 /nfs/dbraw/zinc/34/64/64/181346464.db2.gz KJOCHJANJPLZNU-UHFFFAOYSA-N 0 0 322.416 3.326 3 0 DGAFRN C[C@@H](C(=O)N1CCc2ccccc2C1)n1ncc2ccccc21 ZINC000006768136 181385295 /nfs/dbraw/zinc/38/52/95/181385295.db2.gz MXQMMVAZONSTCY-AWEZNQCLSA-N 0 0 305.381 3.182 1 0 DGAFRN COc1ccccc1Nc1ncnc2c1nc1n2CCCCC1 ZINC000006899565 181403662 /nfs/dbraw/zinc/40/36/62/181403662.db2.gz YYVOPFILKNFFCC-UHFFFAOYSA-N 0 0 309.373 3.305 1 0 DGAFRN COc1cccc(NC(=O)n2sc3ccccc3c2=O)c1 ZINC000096271393 193607531 /nfs/dbraw/zinc/60/75/31/193607531.db2.gz GUSBHKGVWSSHAE-UHFFFAOYSA-N 0 0 300.339 3.152 1 0 DGAFRN COc1ccc2c(c1)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000014727948 181967528 /nfs/dbraw/zinc/96/75/28/181967528.db2.gz NOBIKWFGKRXGGQ-HNNXBMFYSA-N 0 0 316.353 3.484 1 0 endogenous,in-man DGAFRN NC(=O)N(O)C[C@H]1C[C@H]1c1ccc(Oc2ccc(F)cc2)o1 ZINC000029570517 182571664 /nfs/dbraw/zinc/57/16/64/182571664.db2.gz WOGQYJHBRFGHHC-BXKDBHETSA-N 0 0 306.293 3.084 1 0 DGAFRN CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)cc1 ZINC000038841161 183011537 /nfs/dbraw/zinc/01/15/37/183011537.db2.gz BZEHFFYIAOOMOU-CQSZACIVSA-N 0 0 308.809 3.460 1 0 DGAFRN COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1OC ZINC000039406774 183018380 /nfs/dbraw/zinc/01/83/80/183018380.db2.gz DFIKJZTWXBZGFC-UHFFFAOYSA-N 0 0 323.352 3.116 1 0 DGAFRN COc1ccc(/C=C\c2cc(O)c(OC)c(OC)c2)cc1N ZINC000040393435 183060581 /nfs/dbraw/zinc/06/05/81/183060581.db2.gz CNURUESEERDKQE-PLNGDYQASA-N 0 0 301.342 3.171 1 0 DGAFRN O=c1oc2ccccc2cc1CSc1nc2cccnc2[nH]1 ZINC000040403008 183061759 /nfs/dbraw/zinc/06/17/59/183061759.db2.gz UOWZIWMAGYVBMA-UHFFFAOYSA-N 0 0 309.350 3.357 1 0 DGAFRN CCCCCC[C@@H]([C@@H](C)O)n1cnc(C(=O)NC2CCCC2)c1 ZINC000040632536 183111998 /nfs/dbraw/zinc/11/19/98/183111998.db2.gz GMDIZGQCBDLIEQ-PBHICJAKSA-N 0 0 321.465 3.448 1 0 DGAFRN C[S@](=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 ZINC000045260715 183492214 /nfs/dbraw/zinc/49/22/14/183492214.db2.gz QXTQIKIVDUJZSE-JOCHJYFZSA-N 0 0 310.378 3.067 1 0 DGAFRN O=C(Nc1ccc(-c2ccncc2)c(-c2cocn2)n1)C1CC1 ZINC000049032621 183703369 /nfs/dbraw/zinc/70/33/69/183703369.db2.gz HNWYHFGFPGBRAQ-UHFFFAOYSA-N 0 0 306.325 3.147 1 0 DGAFRN Cc1nc(C(=O)N2CCSCC2)cc2c3ccccc3[nH]c21 ZINC000058538058 184121956 /nfs/dbraw/zinc/12/19/56/184121956.db2.gz ICKUKMTYYDRVKO-UHFFFAOYSA-N 0 0 311.410 3.214 1 0 DGAFRN CN(C)C(=S)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000064393119 184296246 /nfs/dbraw/zinc/29/62/46/184296246.db2.gz WGDKSWBUOBPFER-UHFFFAOYSA-N 0 0 322.865 3.126 1 0 DGAFRN CON(C)C(=O)C[C@@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000064503647 184298780 /nfs/dbraw/zinc/29/87/80/184298780.db2.gz UTZVSIXTYYWUOB-USJZOSNVSA-N 0 0 311.466 3.390 1 0 DGAFRN Cn1nc(-c2cccc(-c3ccccc3)c2)c2c1ncnc2N ZINC000064564473 184300083 /nfs/dbraw/zinc/30/00/83/184300083.db2.gz OJYDVUFMZAPIDE-UHFFFAOYSA-N 0 0 301.353 3.280 1 0 DGAFRN c1cc(-c2ccc3ncnc(NCCc4c[nH]cn4)c3c2)co1 ZINC000064693671 184302727 /nfs/dbraw/zinc/30/27/27/184302727.db2.gz KARNMSZGDWFXEL-UHFFFAOYSA-N 0 0 305.341 3.268 1 0 DGAFRN COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)nc1 ZINC000066097701 184388741 /nfs/dbraw/zinc/38/87/41/184388741.db2.gz MRZDFEKKKGUVMD-LLVKDONJSA-N 0 0 304.777 3.164 1 0 DGAFRN COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@@H]3N(C)CC2 ZINC000006625864 257137620 /nfs/dbraw/zinc/13/76/20/257137620.db2.gz UPZUXWDNFBPUNP-HNNXBMFYSA-N 0 0 311.381 3.162 1 0 DGAFRN CC(C)N1c2cc3c(cc2[C@@H](c2ccccc2)NC1=O)OCO3 ZINC000039290284 134708093 /nfs/dbraw/zinc/70/80/93/134708093.db2.gz BGWHVLXTNKQMSC-QGZVFWFLSA-N 0 0 310.353 3.443 1 0 DGAFRN COc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O ZINC000035465002 431830670 /nfs/dbraw/zinc/83/06/70/431830670.db2.gz JKTSDLANZJEZMK-SOLBZPMBSA-N 0 0 304.386 3.042 1 0 DGAFRN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C2CCCCC2)N1 ZINC000070463423 518007094 /nfs/dbraw/zinc/00/70/94/518007094.db2.gz KOLPHMYBGCHLFW-DLBZAZTESA-N 0 0 312.413 3.477 1 0 DGAFRN CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12 ZINC000095918658 560055211 /nfs/dbraw/zinc/05/52/11/560055211.db2.gz QCESQQPIRWFJRU-BNQZHTPESA-N 0 0 322.489 3.113 1 0 biogenic,in-vitro DGAFRN C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12 ZINC000095912627 560056989 /nfs/dbraw/zinc/05/69/89/560056989.db2.gz VAKACABDOYKFHJ-JLPZLSSXSA-N 0 0 322.489 3.115 1 0 biogenic,in-vitro DGAFRN COc1ccc2c(c1)C(=O)c1c3c(cc4ccnc-2c41)OCO3 ZINC000005141295 560200911 /nfs/dbraw/zinc/20/09/11/560200911.db2.gz BZLSBGPHEXHPAQ-UHFFFAOYSA-N 0 0 305.289 3.184 1 0 biogenic,in-vitro DGAFRN Cc1c(Cc2c(F)cccc2F)nc(SC(C)C)[nH]c1=O ZINC000013474577 581092020 /nfs/dbraw/zinc/09/20/20/581092020.db2.gz GENVKPWACMTLDQ-UHFFFAOYSA-N 0 0 310.369 3.448 1 0 DGAFRN Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O ZINC000009692003 581092036 /nfs/dbraw/zinc/09/20/36/581092036.db2.gz KKDXAEVIBXHCBE-UHFFFAOYSA-N 0 0 319.355 3.302 1 0 DGAFRN CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc21 ZINC000000005563 581095774 /nfs/dbraw/zinc/09/57/74/581095774.db2.gz WCIBELXOPRCLEG-UHFFFAOYSA-N 0 0 307.357 3.118 1 0 in-vivo DGAFRN COc1cc(-c2nc3ccc(Cl)nc3[nH]2)cc(OC)c1O ZINC000154859009 620731134 /nfs/dbraw/zinc/73/11/34/620731134.db2.gz QPFCSAKKQVOTSY-UHFFFAOYSA-N 0 0 305.721 3.001 1 0 DGAFRN COc1ccc(-c2cc(-c3ccc4nccn4c3)cnc2N)cn1 ZINC000095579636 185380687 /nfs/dbraw/zinc/38/06/87/185380687.db2.gz VVHRUFFSMKQYML-UHFFFAOYSA-N 0 0 317.352 3.049 1 0 DGAFRN CC(C)n1nc(Cc2cccc(Cl)c2F)c2c1ncnc2N ZINC000095581400 185381342 /nfs/dbraw/zinc/38/13/42/185381342.db2.gz BSRJOZNDWKZXIR-UHFFFAOYSA-N 0 0 319.771 3.373 1 0 DGAFRN CCCCn1c(C)c(C)cc(NC(=O)Cc2ccccc2)c1=O ZINC000095604425 185382764 /nfs/dbraw/zinc/38/27/64/185382764.db2.gz WZHWSKRVTIKEBV-UHFFFAOYSA-N 0 0 312.413 3.446 1 0 DGAFRN Nc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c21 ZINC000096921763 185391813 /nfs/dbraw/zinc/39/18/13/185391813.db2.gz QRAUKPZLJUQYEA-UHFFFAOYSA-N 0 0 314.348 3.438 1 0 DGAFRN Cc1cncn1CCCNC(=S)Nc1ccc2cc[nH]c2c1 ZINC000096923704 185391856 /nfs/dbraw/zinc/39/18/56/185391856.db2.gz NJNIIGNNYDAYJM-UHFFFAOYSA-N 0 0 313.430 3.050 1 0 DGAFRN Nc1nc(COC(=O)c2cc(F)cc(C(F)(F)F)c2)cs1 ZINC000082153997 192361562 /nfs/dbraw/zinc/36/15/62/192361562.db2.gz KRTCZGOYLRVMOA-UHFFFAOYSA-N 0 0 320.267 3.240 1 0 DGAFRN CC1(C)SC(c2ccccc2N)=NN1C(=O)C1CCCC1 ZINC000082148882 192362053 /nfs/dbraw/zinc/36/20/53/192362053.db2.gz RUDPYBUSFIXVTD-UHFFFAOYSA-N 0 0 303.431 3.432 1 0 DGAFRN COc1ccc(-c2cc(-c3cccc(C)c3)nc(N)n2)c(O)c1 ZINC000082150043 192362108 /nfs/dbraw/zinc/36/21/08/192362108.db2.gz LVXMKVZENHYGKJ-UHFFFAOYSA-N 0 0 307.353 3.415 1 0 DGAFRN COc1cc2c(cc1C)CC[C@@H]1C(C)(C)[C@@]3(O)CC[C@@]21CO3 ZINC000103227583 185439461 /nfs/dbraw/zinc/43/94/61/185439461.db2.gz PYLNROBOSMWNRP-BHIYHBOVSA-N 0 0 302.414 3.343 1 0 DGAFRN COc1ccc(S(=O)(=O)/C=C/c2ccccc2OC)cc1 ZINC000103248143 185440714 /nfs/dbraw/zinc/44/07/14/185440714.db2.gz IIMRNEYXNUWSSH-VAWYXSNFSA-N 0 0 304.367 3.148 1 0 DGAFRN Cc1nc(NCc2cccc(Cl)c2)nc(C(F)(F)F)n1 ZINC000103285052 185444033 /nfs/dbraw/zinc/44/40/33/185444033.db2.gz ZOZMRCINNPCMMR-UHFFFAOYSA-N 0 0 302.687 3.464 1 0 DGAFRN CC(C)c1ccc2c(c1O)C[C@@H](O)[C@H]1[C@@](C)(CO)CCC[C@]21C ZINC000049112548 190677955 /nfs/dbraw/zinc/67/79/55/190677955.db2.gz COPQDCGDRVTCTF-GSEOLPGOSA-N 0 0 318.457 3.489 1 0 DGAFRN COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 ZINC000063539783 190697203 /nfs/dbraw/zinc/69/72/03/190697203.db2.gz HBZTVQKHXVDIDE-UHFFFAOYSA-N 0 0 302.765 3.337 1 0 DGAFRN COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2ccccc2)c1 ZINC000072175764 191070238 /nfs/dbraw/zinc/07/02/38/191070238.db2.gz FRQVDWUFJNYMHD-UHFFFAOYSA-N 0 0 322.320 3.016 1 0 DGAFRN CC(C)OCCCNC(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323124 191121893 /nfs/dbraw/zinc/12/18/93/191121893.db2.gz AQSFREKEGVBWNF-UHFFFAOYSA-N 0 0 317.433 3.336 2 0 DGAFRN COC(=O)CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000014443612 290916384 /nfs/dbraw/zinc/91/63/84/290916384.db2.gz OBKDFUSPDAGWCL-FMIVXFBMSA-N 0 0 302.326 3.071 1 0 biogenic,in-vitro DGAFRN C[C@@]12C[C@@H](NC(=O)N1CCc1ccccc1)c1ccccc1O2 ZINC000000422969 180784443 /nfs/dbraw/zinc/78/44/43/180784443.db2.gz XXYBMLOAIVMBCC-VQIMIIECSA-N 0 0 308.381 3.494 3 0 DGAFRN O=c1oc2ccc(Cl)cc2cc1C1=CSC2=NCCN12 ZINC000001662010 180885173 /nfs/dbraw/zinc/88/51/73/180885173.db2.gz RAWMPGWEZLGJTF-UHFFFAOYSA-N 0 0 304.758 3.163 1 0 DGAFRN CC(C)O[C@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)C1 ZINC000073162118 191287210 /nfs/dbraw/zinc/28/72/10/191287210.db2.gz ANDXUFGMYCHXJQ-NEPJUHHUSA-N 0 0 313.195 3.162 1 0 DGAFRN Cc1ccc(C(=O)NC2=N[C@@]3(CCCCO3)CCS2)cc1 ZINC000003598537 181038608 /nfs/dbraw/zinc/03/86/08/181038608.db2.gz CHFQSBBFEGASHF-MRXNPFEDSA-N 0 0 304.415 3.115 1 0 DGAFRN CSCCn1c2ccc(OC(F)(F)F)cc2sc1=N ZINC000003778518 181045362 /nfs/dbraw/zinc/04/53/62/181045362.db2.gz LMXHKXVQPQQYHC-UHFFFAOYSA-N 0 0 308.350 3.444 1 0 DGAFRN CC(C)CCN1C(=O)CC[C@]1(C)C(=O)NC1CCCCCC1 ZINC000004034751 181064889 /nfs/dbraw/zinc/06/48/89/181064889.db2.gz MLGRJHPFHSKIAP-GOSISDBHSA-N 0 0 308.466 3.253 3 0 DGAFRN CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 ZINC000073294729 191301383 /nfs/dbraw/zinc/30/13/83/191301383.db2.gz CTZQGEJIRVALEK-UHFFFAOYSA-N 0 0 316.382 3.234 1 0 DGAFRN Cn1cc/c(=N\N=c2/ccn(C)c3ccccc32)c2ccccc21 ZINC000005390221 181238052 /nfs/dbraw/zinc/23/80/52/181238052.db2.gz NZJOSTCMDPAPOD-KSTNYAOJSA-N 0 0 314.392 3.087 1 0 in-vivo DGAFRN CCOc1cccc(Cc2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 ZINC000005886495 181292790 /nfs/dbraw/zinc/29/27/90/181292790.db2.gz ZLLXTAVUVXOEFA-UHFFFAOYSA-N 0 0 314.429 3.301 1 0 DGAFRN CN1[C@@H]2CCCC[C@H]2N(C)P1(=O)[C@@H](O)/C=C/c1ccccc1 ZINC000006009860 181305850 /nfs/dbraw/zinc/30/58/50/181305850.db2.gz MLQZFJNQVLAFKP-UTSFOPSKSA-N 0 0 320.373 3.400 1 0 DGAFRN COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1 ZINC000006068777 181310878 /nfs/dbraw/zinc/31/08/78/181310878.db2.gz DZTRDRPCROOSOG-AWEZNQCLSA-N 0 0 314.337 3.430 1 0 biogenic,in-vitro DGAFRN Cc1cc(NC(=O)c2onc(C)c2Cl)n(-c2ccccc2)n1 ZINC000006738095 181379880 /nfs/dbraw/zinc/37/98/80/181379880.db2.gz UQCQFZGUBGMDLV-UHFFFAOYSA-N 0 0 316.748 3.383 1 0 DGAFRN CCCCNC(=O)c1ccc(C[S@](=O)c2ccccc2C)o1 ZINC000006772175 181386249 /nfs/dbraw/zinc/38/62/49/181386249.db2.gz XOCKBUKSGDIOEZ-JOCHJYFZSA-N 0 0 319.426 3.426 1 0 DGAFRN CC(C)c1nc2cc(C(=O)N[C@@H](C)c3cnn(C)c3)ccc2o1 ZINC000011843067 181710360 /nfs/dbraw/zinc/71/03/60/181710360.db2.gz GZXLYJREORRXLS-NSHDSACASA-N 0 0 312.373 3.176 3 0 DGAFRN COc1ccc2nc3n(c2c1)CCc1cc(OC)c(OC)cc1-3 ZINC000012947513 181814825 /nfs/dbraw/zinc/81/48/25/181814825.db2.gz BENWOACKZLTENV-UHFFFAOYSA-N 0 0 310.353 3.285 1 0 DGAFRN COc1ccc2c(cc(C(=O)N(C)c3cccc(OC)c3)n2C)c1 ZINC000013652185 181874441 /nfs/dbraw/zinc/87/44/41/181874441.db2.gz BYQYBRKZSGWMNW-UHFFFAOYSA-N 0 0 324.380 3.472 1 0 DGAFRN CN1c2cccc(Cl)c2C(c2ccccc2F)=NCC1=O ZINC000013734993 181885837 /nfs/dbraw/zinc/88/58/37/181885837.db2.gz UEJOMHIZDZKPGT-UHFFFAOYSA-N 0 0 302.736 3.293 1 0 DGAFRN Cc1cccc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c[nH]c21 ZINC000013737452 181886429 /nfs/dbraw/zinc/88/64/29/181886429.db2.gz REWXXQFTSVIVGK-YJBOKZPZSA-N 0 0 323.421 3.458 1 0 DGAFRN CC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O ZINC000013832162 181904636 /nfs/dbraw/zinc/90/46/36/181904636.db2.gz ZDKKLNZMPIYFMK-UHFFFAOYSA-N 0 0 307.349 3.163 1 0 DGAFRN CCOC(=O)c1ccc(/N=c2/ssnc2Cl)cc1 ZINC000015923756 182024811 /nfs/dbraw/zinc/02/48/11/182024811.db2.gz RTQKMSZUENTPQJ-JLHYYAGUSA-N 0 0 300.792 3.267 1 0 DGAFRN C[C@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 ZINC000016953245 182065896 /nfs/dbraw/zinc/06/58/96/182065896.db2.gz QQAIQSYUNZHALI-QBIMZIAESA-N 0 0 309.369 3.361 1 0 DGAFRN COc1ccc(Nc2nc3ccccc3c3nncn32)c(OC)c1 ZINC000020177951 182194577 /nfs/dbraw/zinc/19/45/77/182194577.db2.gz MQEOLICSHSDZPF-UHFFFAOYSA-N 0 0 321.340 3.038 1 0 DGAFRN CC(C)CN1C[C@H](c2nc(-c3cccc(F)c3)c[nH]2)CC1=O ZINC000023153663 182351837 /nfs/dbraw/zinc/35/18/37/182351837.db2.gz PQSFYFWFXIOAGA-CYBMUJFWSA-N 0 0 301.365 3.188 1 0 DGAFRN C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](O)[C@@H]1[C@](C)(CO)CCC[C@@]13C)C[C@@H]2O ZINC000025991334 182428042 /nfs/dbraw/zinc/42/80/42/182428042.db2.gz KORCKZPWMRIZPD-APNQCZIXSA-N 0 0 322.489 3.113 1 0 DGAFRN CCc1nnc2c(N(C)C)nc3cc(Cl)c(Cl)cc3n12 ZINC000026377923 182438256 /nfs/dbraw/zinc/43/82/56/182438256.db2.gz VBQLSZNBNNIMKE-UHFFFAOYSA-N 0 0 310.188 3.213 1 0 DGAFRN CCc1nc(C)nc2c(Br)c(-c3ccccc3)nn21 ZINC000026497129 182443668 /nfs/dbraw/zinc/44/36/68/182443668.db2.gz DIWAWCTZSBJUQQ-UHFFFAOYSA-N 0 0 317.190 3.425 1 0 DGAFRN CC(C)(CNC(=O)c1cnc2c(n1)CCCC2)c1ccccc1 ZINC000028882381 182544206 /nfs/dbraw/zinc/54/42/06/182544206.db2.gz JFIAZNGOKQMGAM-UHFFFAOYSA-N 0 0 309.413 3.063 1 0 DGAFRN COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccncc1)CC2 ZINC000028826658 182540772 /nfs/dbraw/zinc/54/07/72/182540772.db2.gz AZBCQXWGTNGRPQ-CYBMUJFWSA-N 0 0 312.369 3.157 1 0 DGAFRN CCOC(=O)c1ccc(Oc2ccc(N(C)C)cc2)cc1O ZINC000028957213 182547420 /nfs/dbraw/zinc/54/74/20/182547420.db2.gz JHUNQLKPMWLOKX-UHFFFAOYSA-N 0 0 301.342 3.427 1 0 DGAFRN COc1cc(Cl)c2c(c1)NC(=O)[C@](C)(c1ccccc1)C2=O ZINC000028977925 182548589 /nfs/dbraw/zinc/54/85/89/182548589.db2.gz ZSSVCJYMXGFACX-QGZVFWFLSA-N 0 0 315.756 3.441 1 0 DGAFRN CSc1nc2ccccc2c(=O)n1-c1c(F)cccc1F ZINC000039259369 183015490 /nfs/dbraw/zinc/01/54/90/183015490.db2.gz BFNBJSXMXXQLAW-UHFFFAOYSA-N 0 0 304.321 3.386 1 0 in-vivo DGAFRN O=C1CN2O[C@@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000040391738 183059958 /nfs/dbraw/zinc/05/99/58/183059958.db2.gz YUPJZQFUZQPFTM-FUKCDUGKSA-N 0 0 321.163 3.394 1 0 DGAFRN Cc1cccc2c3c([nH]c21)-c1nc2ccccc2c(=O)n1CC3 ZINC000040395567 183060771 /nfs/dbraw/zinc/06/07/71/183060771.db2.gz QUAKUUGMFBYTNL-UHFFFAOYSA-N 0 0 301.349 3.409 1 0 DGAFRN COc1ccc2c(c1)OC=C(c1ccc(OC)c(OC)c1)[C@@H]2O ZINC000040465534 183071816 /nfs/dbraw/zinc/07/18/16/183071816.db2.gz WCBLYLSEIFDBFU-GOSISDBHSA-N 0 0 314.337 3.179 1 0 DGAFRN c1c2ccccc2n2c1C(N1CCOCC1)=Nc1ccccc1C2 ZINC000040632090 183111395 /nfs/dbraw/zinc/11/13/95/183111395.db2.gz SAMJUFCHYVJDTK-UHFFFAOYSA-N 0 0 317.392 3.414 1 0 DGAFRN Fc1ccc(-n2nnnc2Cc2cccnc2)c(Cl)c1Cl ZINC000040564379 183102979 /nfs/dbraw/zinc/10/29/79/183102979.db2.gz GOZARPWHWVECGP-UHFFFAOYSA-N 0 0 324.146 3.094 1 0 DGAFRN COc1cc(C(=O)c2c(C)c(C)sc2N)cc(OC)c1OC ZINC000040565365 183103627 /nfs/dbraw/zinc/10/36/27/183103627.db2.gz RDDMRWCITPGHLV-UHFFFAOYSA-N 0 0 321.398 3.204 1 0 DGAFRN O[C@@]1(c2ccc(-c3cccs3)cc2)CN2CCCC[C@@H]2CO1 ZINC000040861811 183143897 /nfs/dbraw/zinc/14/38/97/183143897.db2.gz DXCCBGQUDIVOAH-AEFFLSMTSA-N 0 0 315.438 3.445 1 0 in-vitro DGAFRN CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000040860148 183142782 /nfs/dbraw/zinc/14/27/82/183142782.db2.gz QHRYOTPPIXQUBM-XJKSGUPXSA-N 0 0 322.426 3.204 1 0 DGAFRN COc1ccc([C@@H]2CC(OCC(C)C)=CC(=O)O2)cc1OC ZINC000040940323 183149521 /nfs/dbraw/zinc/14/95/21/183149521.db2.gz HEEFNNKKCDKPNC-HNNXBMFYSA-N 0 0 306.358 3.248 1 0 DGAFRN CNc1nc2sc(N3CCCCCC3)nc2c2c1ncn2C ZINC000042890723 183316725 /nfs/dbraw/zinc/31/67/25/183316725.db2.gz HGBQLAOVJSOGBE-UHFFFAOYSA-N 0 0 316.434 3.000 1 0 DGAFRN CC(=O)O[C@H]1Cc2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000045388457 183503101 /nfs/dbraw/zinc/50/31/01/183503101.db2.gz BCWQHVHBXJXCAE-ZWKOTPCHSA-N 0 0 312.321 3.023 1 0 DGAFRN COc1ccc(C2=NO[C@@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000103274227 193926657 /nfs/dbraw/zinc/92/66/57/193926657.db2.gz HOOCFFKOUNMNCY-QGZVFWFLSA-N 0 0 311.337 3.486 1 0 DGAFRN Cc1ccc(-n2cncc2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000053226405 183893854 /nfs/dbraw/zinc/89/38/54/183893854.db2.gz YEPWZBKIAJIDFD-UHFFFAOYSA-N 0 0 312.394 3.251 1 0 DGAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(C)o2)cc1 ZINC000058046250 184070639 /nfs/dbraw/zinc/07/06/39/184070639.db2.gz XVSSSZTXPJZHMA-NVXWUHKLSA-N 0 0 312.369 3.106 3 0 DGAFRN Cc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1 ZINC000059096557 184134175 /nfs/dbraw/zinc/13/41/75/184134175.db2.gz QGUMEWLTIYRZFH-UHFFFAOYSA-N 0 0 314.429 3.490 1 0 DGAFRN COc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c32)cc1 ZINC000059184179 184135041 /nfs/dbraw/zinc/13/50/41/184135041.db2.gz LXPCMMVNRMVBIT-UHFFFAOYSA-N 0 0 319.368 3.470 1 0 DGAFRN COc1ccc([C@@](C)(O)c2nc(-c3ccncc3)cs2)cc1 ZINC000061903501 184193581 /nfs/dbraw/zinc/19/35/81/184193581.db2.gz VLUUGQIMIBGOPE-QGZVFWFLSA-N 0 0 312.394 3.470 3 0 DGAFRN CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061904313 184194266 /nfs/dbraw/zinc/19/42/66/184194266.db2.gz KTOMLVGPYSJXJK-KRWDZBQOSA-N 0 0 322.836 3.109 3 0 DGAFRN CCOc1ccc(Cl)cc1-c1cc(C(=O)NC(C)C)[nH]n1 ZINC000061930541 184196248 /nfs/dbraw/zinc/19/62/48/184196248.db2.gz MJXRXIDUHSOMBW-UHFFFAOYSA-N 0 0 307.781 3.267 3 0 DGAFRN CCCN1Cc2cc(OC)ccc2-c2ccccc2S1(=O)=O ZINC000061944721 184198207 /nfs/dbraw/zinc/19/82/07/184198207.db2.gz POZFPDQLOXBYDM-UHFFFAOYSA-N 0 0 317.410 3.277 3 0 DGAFRN Cc1ccc(S(=O)(=O)N2C=C(C)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)cc1 ZINC000061959023 184198997 /nfs/dbraw/zinc/19/89/97/184198997.db2.gz PRAAPBLYBMLMOE-IDCNUPLLSA-N 0 0 317.454 3.037 3 0 DGAFRN O=C(NC1CCCCC1)N1OC[C@@H]2COc3ccccc3[C@@H]21 ZINC000062225452 184224196 /nfs/dbraw/zinc/22/41/96/184224196.db2.gz IYUBLQIEZBXVPP-BLLLJJGKSA-N 0 0 302.374 3.026 1 0 DGAFRN CCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1 ZINC000064553875 184299488 /nfs/dbraw/zinc/29/94/88/184299488.db2.gz AXQKJTHCYRYSLF-UHFFFAOYSA-N 0 0 319.368 3.164 1 0 DGAFRN CCCc1cc(O)c(Oc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000064564756 184299982 /nfs/dbraw/zinc/29/99/82/184299982.db2.gz LVDHRTLUSCCHHY-UHFFFAOYSA-N 0 0 312.329 3.023 1 0 DGAFRN Cc1c([C@@H](C)OC(=O)N(C)c2ccccc2)sc2ncnn12 ZINC000066251202 184398773 /nfs/dbraw/zinc/39/87/73/184398773.db2.gz IEKLDABYSCMDOV-LLVKDONJSA-N 0 0 316.386 3.433 1 0 DGAFRN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000100752 284990965 /nfs/dbraw/zinc/99/09/65/284990965.db2.gz YBLZXUZBJJSUKZ-GRUGVGOFSA-N 0 0 308.164 3.305 1 0 DGAFRN CCCCC[C@H](C)C[C@H]1CO[C@H](c2ccc[nH]2)N[C@@H]1C(=O)OC ZINC000013385680 560216351 /nfs/dbraw/zinc/21/63/51/560216351.db2.gz UNQFHHAPQIDJED-NXNVCVFFSA-N 0 0 322.449 3.397 1 0 in-vitro DGAFRN CC(C)(C)OC(=O)C[C@]1(O)c2ccccc2-c2ccccc2C1=O ZINC000013462278 560217145 /nfs/dbraw/zinc/21/71/45/560217145.db2.gz GAHIOVYJRASZJS-FQEVSTJZSA-N 0 0 324.376 3.469 1 0 biogenic,in-vitro DGAFRN C[C@@]12C=C[C@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)[C@@H](O)C[C@@]1(C)[C@@H]3CC2=O ZINC000100780584 571833756 /nfs/dbraw/zinc/83/37/56/571833756.db2.gz ISQMANNAFDGSCG-PVTLCFIXSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN C=C/C(C)=C\C[C@@H]1[C@@](C)(O)[C@@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000100781044 571834662 /nfs/dbraw/zinc/83/46/62/571834662.db2.gz JEZOMVOAWYLQAJ-WQSHVRBHSA-N 0 0 322.489 3.444 1 0 endogenous,in-man DGAFRN O=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1F ZINC000095553807 185379440 /nfs/dbraw/zinc/37/94/40/185379440.db2.gz LPVRDSFQKVCESR-UHFFFAOYSA-N 0 0 304.302 3.099 1 0 DGAFRN O=CNc1cccc(C(=O)NC2CCCCCCCC2)c1O ZINC000095558913 185379860 /nfs/dbraw/zinc/37/98/60/185379860.db2.gz DRNPWCBKGYRDSE-UHFFFAOYSA-N 0 0 304.390 3.193 1 0 DGAFRN CS(=O)(=O)n1c(-c2ccccc2)cc2nc3ccccc3nc21 ZINC000095575368 185380485 /nfs/dbraw/zinc/38/04/85/185380485.db2.gz MNTRTPSFGMETBD-UHFFFAOYSA-N 0 0 323.377 3.059 1 0 DGAFRN COc1cc2nc(Nc3ccc(C)cc3)nc(N)c2cc1OC ZINC000096907508 185390773 /nfs/dbraw/zinc/39/07/73/185390773.db2.gz ZEAQIYXCAJBGJQ-UHFFFAOYSA-N 0 0 310.357 3.281 1 0 DGAFRN Cc1cncn1CCCNC(=S)Nc1ccc2c(c1)CCC2 ZINC000096923705 185391832 /nfs/dbraw/zinc/39/18/32/185391832.db2.gz OUGZURSRKNATOC-UHFFFAOYSA-N 0 0 314.458 3.057 1 0 DGAFRN Nc1nc(=S)[nH]c2c1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000096935384 185392720 /nfs/dbraw/zinc/39/27/20/185392720.db2.gz CMMUUUMXJVVBDO-SNVBAGLBSA-N 0 0 313.386 3.130 1 0 DGAFRN C[C@H](COC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000096935061 185392834 /nfs/dbraw/zinc/39/28/34/185392834.db2.gz RYADLHAKMGTWMP-TZQYPOLLSA-N 0 0 317.429 3.452 1 0 DGAFRN CC(=O)NCCc1cccc2ccc(OCC(F)(F)F)cc21 ZINC000082154590 192361833 /nfs/dbraw/zinc/36/18/33/192361833.db2.gz NRUKMVXDUFPJQY-UHFFFAOYSA-N 0 0 311.303 3.460 1 0 DGAFRN CCN(CC)c1cccc(-n2cnc3c2ncnc3Cl)c1 ZINC000082155850 192363042 /nfs/dbraw/zinc/36/30/42/192363042.db2.gz KFRLPTRPEAWAJZ-UHFFFAOYSA-N 0 0 301.781 3.315 1 0 DGAFRN O=c1nc2ccc(Br)cn2cc1Cc1ccccc1 ZINC000169331057 197742470 /nfs/dbraw/zinc/74/24/70/197742470.db2.gz FBAOLGMSJUZSNF-UHFFFAOYSA-N 0 0 315.170 3.048 1 0 DGAFRN CN1c2ccc(Cl)cc2C(Oc2ccccc2)=NCC1=O ZINC000169344226 197744396 /nfs/dbraw/zinc/74/43/96/197744396.db2.gz OACKQDYDORXNQV-UHFFFAOYSA-N 0 0 300.745 3.142 1 0 DGAFRN Cc1csc(-c2n[nH]c(C3(O)C4CC5CC(C4)CC3C5)n2)c1 ZINC000103193152 185437827 /nfs/dbraw/zinc/43/78/27/185437827.db2.gz LFOBEAWQJHVVJF-UHFFFAOYSA-N 0 0 315.442 3.485 1 0 DGAFRN CC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 ZINC000072136042 191046116 /nfs/dbraw/zinc/04/61/16/191046116.db2.gz ICUPNNXGYLNISZ-MFKMUULPSA-N 0 0 306.362 3.012 3 0 DGAFRN CCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1 ZINC000072176784 191070881 /nfs/dbraw/zinc/07/08/81/191070881.db2.gz KQDWQESVGRYBGD-UHFFFAOYSA-N 0 0 320.801 3.473 1 0 DGAFRN COC(=O)C1CCN(Cc2coc(-c3cccc(C)c3)n2)CC1 ZINC000072183677 191072453 /nfs/dbraw/zinc/07/24/53/191072453.db2.gz VOUFYIWQLJVILJ-UHFFFAOYSA-N 0 0 314.385 3.035 1 0 DGAFRN COC[C@@H](C)NC(=O)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323636 191121547 /nfs/dbraw/zinc/12/15/47/191121547.db2.gz IYSBSWZXVJMONQ-CYBMUJFWSA-N 0 0 315.417 3.306 2 0 DGAFRN CC(=O)c1cc2cc(C(=O)N[C@H](C)c3ccccc3)cnc2[nH]1 ZINC000072323873 191121914 /nfs/dbraw/zinc/12/19/14/191121914.db2.gz LAUVBSBFJOGFCK-LLVKDONJSA-N 0 0 307.353 3.257 2 0 DGAFRN COc1ccc(NC(=O)c2cnc3[nH]c(C(C)=O)cc3c2)cc1 ZINC000072323895 191122009 /nfs/dbraw/zinc/12/20/09/191122009.db2.gz NSUDHPDAYBVESV-UHFFFAOYSA-N 0 0 309.325 3.026 2 0 DGAFRN Nc1nc(-c2ccccn2)c(-c2ccc3ncccc3n2)s1 ZINC000000003548 180668045 /nfs/dbraw/zinc/66/80/45/180668045.db2.gz NQQBKOGAKSBCSI-UHFFFAOYSA-N 0 0 305.366 3.398 1 0 DGAFRN CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccccc1)NC2=O ZINC000000091102 180689353 /nfs/dbraw/zinc/68/93/53/180689353.db2.gz HJSGHISPHUDNQM-CQSZACIVSA-N 0 0 316.382 3.087 1 0 DGAFRN COc1ccc2nc(C)c3c(C)nc(-c4cccnc4C)n3c2n1 ZINC000073159866 191287284 /nfs/dbraw/zinc/28/72/84/191287284.db2.gz KKGNLHFXELBTHO-UHFFFAOYSA-N 0 0 319.368 3.273 1 0 DGAFRN COc1cc2ncnc(N3CCc4ccccc43)c2cc1OC ZINC000003815395 181047193 /nfs/dbraw/zinc/04/71/93/181047193.db2.gz HILIXBSGQQWNDX-UHFFFAOYSA-N 0 0 307.353 3.341 1 0 DGAFRN COc1ccc(N)c(C2=NN(C(=O)C3CCC3)C(C)(C)S2)c1 ZINC000073198595 191291102 /nfs/dbraw/zinc/29/11/02/191291102.db2.gz SFOJAEISRPXRTR-UHFFFAOYSA-N 0 0 319.430 3.051 1 0 DGAFRN COCCNc1ncnc2ccc(-c3ccccc3OC)cc21 ZINC000004239316 181086786 /nfs/dbraw/zinc/08/67/86/181086786.db2.gz PWPMLQWFBFZGNR-UHFFFAOYSA-N 0 0 309.369 3.364 1 0 DGAFRN O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000004238118 181086867 /nfs/dbraw/zinc/08/68/67/181086867.db2.gz KVYKKSWYFZRZTC-FQEVSTJZSA-N 0 0 321.424 3.214 1 0 DGAFRN CN(C)c1ccc(-c2cncnc2NCc2cccnc2)cc1 ZINC000004258374 181088339 /nfs/dbraw/zinc/08/83/39/181088339.db2.gz VRTLXPYNFWQBOA-UHFFFAOYSA-N 0 0 305.385 3.217 1 0 DGAFRN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(C)=O)cc1 ZINC000004292057 181093526 /nfs/dbraw/zinc/09/35/26/181093526.db2.gz SQBAOAQMXWBPDL-IBGZPJMESA-N 0 0 324.380 3.401 1 0 DGAFRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)c(O)c1 ZINC000073292512 191301164 /nfs/dbraw/zinc/30/11/64/191301164.db2.gz JTYSWWNADOQZHO-UHFFFAOYSA-N 0 0 307.353 3.415 1 0 DGAFRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000004587625 181127449 /nfs/dbraw/zinc/12/74/49/181127449.db2.gz MPXZKJSNROLDGS-OZVVPTBGSA-N 0 0 308.164 3.305 1 0 DGAFRN CC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000004656372 181132893 /nfs/dbraw/zinc/13/28/93/181132893.db2.gz OEAXNUBJOZGLSV-KRWDZBQOSA-N 0 0 311.381 3.268 3 0 DGAFRN c1cn(-c2cccc(Nc3nccc(-c4ccccn4)n3)c2)cn1 ZINC000005117580 181205133 /nfs/dbraw/zinc/20/51/33/181205133.db2.gz SERDALJOTOQTDL-UHFFFAOYSA-N 0 0 314.352 3.468 1 0 DGAFRN CCOc1ccc(CC[NH2+]Cc2c(C)[nH]c(C)c2C(=O)[O-])cc1 ZINC000005146314 181209205 /nfs/dbraw/zinc/20/92/05/181209205.db2.gz BVOBDCOZFNMEFZ-UHFFFAOYSA-N 0 0 316.401 3.061 1 0 DGAFRN CC(=O)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCO3)c2=O ZINC000005632168 181266078 /nfs/dbraw/zinc/26/60/78/181266078.db2.gz GECGOSYEOUVXKB-UHFFFAOYSA-N 0 0 324.288 3.114 1 0 DGAFRN O=C(N[C@H]1CCC[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000005808364 181286032 /nfs/dbraw/zinc/28/60/32/181286032.db2.gz HQUSUEHNRFYJTA-DLBZAZTESA-N 0 0 309.365 3.195 1 0 DGAFRN CCc1cc(NCc2cc(C)c(C)cc2OC)c(=O)[nH]c1C ZINC000005887190 181292782 /nfs/dbraw/zinc/29/27/82/181292782.db2.gz KKAIXITUVPCYNR-UHFFFAOYSA-N 0 0 300.402 3.483 1 0 DGAFRN COc1c(Br)cc2c(c1Br)OC(=N)C2 ZINC000005998637 181304368 /nfs/dbraw/zinc/30/43/68/181304368.db2.gz YWNFAVCRETYBMJ-UHFFFAOYSA-N 0 0 320.968 3.132 1 0 DGAFRN C[C@H](C(=O)N1CCc2ccccc2C1)n1ncc2ccccc21 ZINC000006768138 181385600 /nfs/dbraw/zinc/38/56/00/181385600.db2.gz MXQMMVAZONSTCY-CQSZACIVSA-N 0 0 305.381 3.182 1 0 DGAFRN O=C(NCCc1cc2ccccc2[nH]1)c1ccc2snnc2c1 ZINC000006809190 181392596 /nfs/dbraw/zinc/39/25/96/181392596.db2.gz KJXHDUFCCMCKBY-UHFFFAOYSA-N 0 0 322.393 3.145 1 0 DGAFRN CC(C)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 ZINC000096270233 193608290 /nfs/dbraw/zinc/60/82/90/193608290.db2.gz LGZMQEYZKUYTMM-UHFFFAOYSA-N 0 0 306.369 3.204 1 0 DGAFRN CCCNC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012585371 181780076 /nfs/dbraw/zinc/78/00/76/181780076.db2.gz FYCIALHNWCYCJC-CYBMUJFWSA-N 0 0 308.809 3.354 3 0 DGAFRN C[C@]12C[C@H](CCO)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013651934 181874284 /nfs/dbraw/zinc/87/42/84/181874284.db2.gz HBVULNUFTWUFIW-ZFRJDGDFSA-N 0 0 316.441 3.218 1 0 DGAFRN COc1ccc(-c2nc3cc(-n4ccnc4)ccc3[nH]2)c(OC)c1 ZINC000013651247 181873798 /nfs/dbraw/zinc/87/37/98/181873798.db2.gz DLAFLFFRNAKSPT-UHFFFAOYSA-N 0 0 320.352 3.433 1 0 DGAFRN C[C@@]1(c2nnc(-c3ccccc3)o2)CC(c2cccnc2)=NO1 ZINC000013657574 181874747 /nfs/dbraw/zinc/87/47/47/181874747.db2.gz SWJIRMOFZDUZJY-KRWDZBQOSA-N 0 0 306.325 3.171 3 0 DGAFRN CCCn1c2ccccc2nc1[C@H](CO)Nc1nc(C)cs1 ZINC000015937213 182025837 /nfs/dbraw/zinc/02/58/37/182025837.db2.gz OAPPARNKGPXLDF-ZDUSSCGKSA-N 0 0 316.430 3.357 3 0 DGAFRN O=C1N(CN2CCCCC2)c2ccccc2C12SCCS2 ZINC000025964159 182426274 /nfs/dbraw/zinc/42/62/74/182426274.db2.gz HGFPADZQJSKMKO-UHFFFAOYSA-N 0 0 320.483 3.109 1 0 DGAFRN Cc1ccc(C(C)C)cc1[C@H](C)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027524681 182475134 /nfs/dbraw/zinc/47/51/34/182475134.db2.gz BCGIBNCIZJPVJS-AWEZNQCLSA-N 0 0 319.426 3.287 1 0 DGAFRN Cc1ccc(C(=O)Cn2c(=N)sc3c2CC[C@@H](C)C3)cc1 ZINC000027558554 182477734 /nfs/dbraw/zinc/47/77/34/182477734.db2.gz ZHTJLKPJHKSQEN-GFCCVEGCSA-N 0 0 300.427 3.345 1 0 DGAFRN CCOC(=O)N1[C@@H]2CC[C@H]1[C@@H](c1cc(Cl)nnc1Cl)C2 ZINC000027645704 182485149 /nfs/dbraw/zinc/48/51/49/182485149.db2.gz LDIBWAFIOOCUSR-MRTMQBJTSA-N 0 0 316.188 3.260 1 0 DGAFRN Cc1ccc2[nH]c([S@@](=O)Cc3ccc(C)c(C)c3N)nc2c1 ZINC000028228516 182513221 /nfs/dbraw/zinc/51/32/21/182513221.db2.gz KDHNVGXUSVXSKK-JOCHJYFZSA-N 0 0 313.426 3.378 1 0 DGAFRN Cc1cccc2c1N=C(N1CCN(C)CC1)c1cscc1O2 ZINC000029339895 182561176 /nfs/dbraw/zinc/56/11/76/182561176.db2.gz OUEINKOYOHOBCT-UHFFFAOYSA-N 0 0 313.426 3.488 1 0 DGAFRN CCCOc1cc([S@](C)=O)ccc1-c1nc2cc[nH]cc-2n1 ZINC000101335452 193811135 /nfs/dbraw/zinc/81/11/35/193811135.db2.gz BHRFWPNCSSQLMH-JOCHJYFZSA-N 0 0 315.398 3.103 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)CCN(CCc1ccccn1)C3 ZINC000040620246 183109404 /nfs/dbraw/zinc/10/94/04/183109404.db2.gz IBMZSTYOCJGDML-UHFFFAOYSA-N 0 0 307.397 3.172 1 0 DGAFRN CC(C)c1ccc2occ(C=C3SC(=O)NC3=O)c(=O)c2c1 ZINC000040846904 183140751 /nfs/dbraw/zinc/14/07/51/183140751.db2.gz ILONWAFTAOWDOK-AWNIVKPZSA-N 0 0 315.350 3.240 1 0 DGAFRN Cc1ccc2ccc(C(=O)NCCc3ccc(F)cc3)c(O)c2n1 ZINC000040896962 183147446 /nfs/dbraw/zinc/14/74/46/183147446.db2.gz MVFQGBDKRBVWOP-UHFFFAOYSA-N 0 0 324.355 3.360 1 0 DGAFRN COc1cc(C=O)c(-c2ccccc2C=O)c(OC)c1OC ZINC000040917803 183147847 /nfs/dbraw/zinc/14/78/47/183147847.db2.gz YGWWIPHHKPPGKD-UHFFFAOYSA-N 0 0 300.310 3.004 1 0 DGAFRN c1[nH]nc([C@H]2CCCOC2)c1-c1ccnc(NC2CCCC2)n1 ZINC000040938963 183150141 /nfs/dbraw/zinc/15/01/41/183150141.db2.gz NHSDXYBXQGQSRA-LBPRGKRZSA-N 0 0 313.405 3.115 1 0 DGAFRN CC(C)(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000043202889 183344443 /nfs/dbraw/zinc/34/44/43/183344443.db2.gz IINOFUOFXJJMDX-UHFFFAOYSA-N 0 0 300.402 3.181 1 0 DGAFRN Cc1ccc2[nH]cc(C(=O)C(=O)N3CCc4ccccc43)c2c1 ZINC000043074630 183334632 /nfs/dbraw/zinc/33/46/32/183334632.db2.gz MATLTILJQXAUTC-UHFFFAOYSA-N 0 0 304.349 3.248 1 0 DGAFRN COc1ccc(F)c(-c2nc(CN3CCSCC3)c(C)o2)c1 ZINC000055357696 183982072 /nfs/dbraw/zinc/98/20/72/183982072.db2.gz XAARCLWBEYEIQO-UHFFFAOYSA-N 0 0 322.405 3.347 1 0 DGAFRN CC(=O)Nc1ccc2oc(-c3cccc(F)c3)c(O)c(=O)c2c1 ZINC000058583116 184123413 /nfs/dbraw/zinc/12/34/13/184123413.db2.gz PDEFJXVKLVEWIO-UHFFFAOYSA-N 0 0 313.284 3.263 1 0 DGAFRN [O-]c1ccccc1-c1nc2ccccc2c(N[C@H]2CCC[NH2+]C2)n1 ZINC000059275531 184136235 /nfs/dbraw/zinc/13/62/35/184136235.db2.gz UGTPIQQHQARTPY-ZDUSSCGKSA-N 0 0 320.396 3.166 1 0 DGAFRN CC(C)NC(=O)[C@]1(C)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000061897112 184193462 /nfs/dbraw/zinc/19/34/62/184193462.db2.gz YXIQYOCLFFBDEI-HNNXBMFYSA-N 0 0 314.351 3.194 3 0 DGAFRN FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 ZINC000066079066 184387586 /nfs/dbraw/zinc/38/75/86/184387586.db2.gz IIVFRUJVDGTOEB-UHFFFAOYSA-N 0 0 309.388 3.073 1 0 DGAFRN CSc1nncc(-c2cnc(SC)c3c2CCCC3)n1 ZINC000066103153 184389927 /nfs/dbraw/zinc/38/99/27/184389927.db2.gz IJUFEJJXFSXPEB-UHFFFAOYSA-N 0 0 304.444 3.256 1 0 DGAFRN CC1=C[C@@H](C)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 ZINC000066129021 184391189 /nfs/dbraw/zinc/39/11/89/184391189.db2.gz OLBNLPMDOPZNSD-OTYXRUKQSA-N 0 0 308.175 3.352 1 0 DGAFRN O=c1cc(N2CCOCC2)oc2ccc(-c3ccccc3)cc12 ZINC000013608057 134513963 /nfs/dbraw/zinc/51/39/63/134513963.db2.gz FGDAUGYDQLYAKT-UHFFFAOYSA-N 0 0 307.349 3.297 1 0 in-vivo DGAFRN Cc1ccc2c(O)c(C(=O)N[C@@H](C)c3ccccc3)cnc2n1 ZINC000028525677 431707830 /nfs/dbraw/zinc/70/78/30/431707830.db2.gz MSQYTUVOQBAORZ-LBPRGKRZSA-N 0 0 307.353 3.135 1 0 DGAFRN Cc1ccc2c(O)c(C(=O)N[C@H](C)c3ccccc3)cnc2n1 ZINC000028525676 431709102 /nfs/dbraw/zinc/70/91/02/431709102.db2.gz MSQYTUVOQBAORZ-GFCCVEGCSA-N 0 0 307.353 3.135 1 0 DGAFRN COc1cc(CCC(=O)C[C@H](O)[C@H]2C=C[C@H](C)CC2)ccc1O ZINC000085629250 560068577 /nfs/dbraw/zinc/06/85/77/560068577.db2.gz ARTWOUGKSMJOCU-YEWWUXTCSA-N 0 0 318.413 3.256 1 0 biogenic,in-vitro DGAFRN Cc1cc(CCCc2cc3c(cc2O)OCO3)c(O)c(C)c1O ZINC000013485093 560217491 /nfs/dbraw/zinc/21/74/91/560217491.db2.gz MSGWUGYJMGYNEW-UHFFFAOYSA-N 0 0 316.353 3.324 1 0 biogenic,in-vitro DGAFRN COc1ccc([C@H]2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1 ZINC000014780059 560226244 /nfs/dbraw/zinc/22/62/44/560226244.db2.gz DZTRDRPCROOSOG-CQSZACIVSA-N 0 0 314.337 3.430 1 0 biogenic,in-vitro DGAFRN O=C(NCc1nc2c(cccc2F)[nH]1)c1cc2c(s1)CCC2 ZINC000587035723 1177128514 /nfs/dbraw/zinc/12/85/14/1177128514.db2.gz YWLIVPMFZZNSJS-UHFFFAOYSA-N 0 0 315.373 3.182 1 0 DGAFRN O=C1c2cc(F)ccc2N[C@@H]2c3[nH]c4ccccc4c3CCN12 ZINC000095557752 185379574 /nfs/dbraw/zinc/37/95/74/185379574.db2.gz QBMNCJXJOVDTGM-KRWDZBQOSA-N 0 0 307.328 3.430 1 0 DGAFRN c1ccc(-c2nnc(-c3ccccn3)nc2NCC2CC2)cc1 ZINC000095567193 185380262 /nfs/dbraw/zinc/38/02/62/185380262.db2.gz NHJUGLJJTBWNCN-UHFFFAOYSA-N 0 0 303.369 3.423 1 0 DGAFRN O=c1[nH]c(CCc2nc(-c3ccsc3)c[nH]2)nc2ccccc21 ZINC000095573917 185380483 /nfs/dbraw/zinc/38/04/83/185380483.db2.gz CRCXDLVRIITMQB-UHFFFAOYSA-N 0 0 322.393 3.160 1 0 DGAFRN O=C1C=C(OCCF)C[C@H](c2ccc(Br)cc2)O1 ZINC000095571500 185380500 /nfs/dbraw/zinc/38/05/00/185380500.db2.gz NNTWTEFACMUHMR-GFCCVEGCSA-N 0 0 315.138 3.307 3 0 DGAFRN O[C@H](Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl ZINC000095574898 185380613 /nfs/dbraw/zinc/38/06/13/185380613.db2.gz CGWJOHXRJWEHLD-CQSZACIVSA-N 0 0 308.168 3.472 1 0 DGAFRN O=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O ZINC000095580270 185381199 /nfs/dbraw/zinc/38/11/99/185381199.db2.gz KVVMSGAISWJACO-AWEZNQCLSA-N 0 0 322.368 3.406 1 0 DGAFRN CN(CC1=NN(C)C(=O)C1(C)C)c1cc(Cl)cc(Cl)c1 ZINC000095582508 185381315 /nfs/dbraw/zinc/38/13/15/185381315.db2.gz LIUWAQRVCGYONC-UHFFFAOYSA-N 0 0 314.216 3.284 1 0 DGAFRN CNc1nc(Nc2cn(C(C)C)nc2C)ncc1C(F)(F)F ZINC000095582282 185381410 /nfs/dbraw/zinc/38/14/10/185381410.db2.gz WJQKDQRBBJAHPX-UHFFFAOYSA-N 0 0 314.315 3.367 1 0 DGAFRN CCNC(=O)N=c1[nH]c2ccc(-c3ccccc3CC)cc2[nH]1 ZINC000095603233 185382292 /nfs/dbraw/zinc/38/22/92/185382292.db2.gz KMGFFHGLZGTDMF-UHFFFAOYSA-N 0 0 308.385 3.356 1 0 DGAFRN O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1 ZINC000096905752 185390823 /nfs/dbraw/zinc/39/08/23/185390823.db2.gz KLNYLDYPZCWDDA-UHFFFAOYSA-N 0 0 310.378 3.228 1 0 DGAFRN CCN(CC)c1nc2n[nH]cc2c(Nc2ccc(F)cc2)n1 ZINC000096928447 185392194 /nfs/dbraw/zinc/39/21/94/185392194.db2.gz MQKOODQBUDKMEZ-UHFFFAOYSA-N 0 0 300.341 3.082 1 0 DGAFRN O=C(Nc1ccccn1)c1cc(F)cc(Oc2cncnc2)c1 ZINC000096938941 185393087 /nfs/dbraw/zinc/39/30/87/185393087.db2.gz JTNZJGQXUWUYLM-UHFFFAOYSA-N 0 0 310.288 3.055 1 0 DGAFRN c1nnc2nc(-c3ccccc3)cc(NCc3ccccc3)n12 ZINC000006743006 190623063 /nfs/dbraw/zinc/62/30/63/190623063.db2.gz HEOSTXXTFUXNOG-UHFFFAOYSA-N 0 0 301.353 3.403 1 0 DGAFRN Nc1nc(N)c2cc(N3CCC[C@@H]3c3ccccc3)ccc2n1 ZINC000169344381 197744473 /nfs/dbraw/zinc/74/44/73/197744473.db2.gz WMFRBMOATUFWEH-MRXNPFEDSA-N 0 0 305.385 3.136 1 0 DGAFRN Cc1cc2ccccc2n1CCNC(=O)c1ccc(N(C)C)cc1 ZINC000169351770 197745091 /nfs/dbraw/zinc/74/50/91/197745091.db2.gz DAJGGXWRCFSEMN-UHFFFAOYSA-N 0 0 321.424 3.446 1 0 DGAFRN CCOn1c(=S)[nH]c(=O)c(CC)c1Sc1ccccc1 ZINC000103176904 185436858 /nfs/dbraw/zinc/43/68/58/185436858.db2.gz UFQYOARJCSGXOL-UHFFFAOYSA-N 0 0 308.428 3.068 1 0 DGAFRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OC(=O)C(=O)C1Cl ZINC000103285184 185444314 /nfs/dbraw/zinc/44/43/14/185444314.db2.gz AGOYWODTYODLQL-CQSZACIVSA-N 0 0 304.733 3.095 1 0 DGAFRN COc1cc2c(cc1CO)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000049112660 190677803 /nfs/dbraw/zinc/67/78/03/190677803.db2.gz KHTAYVJEYLKPGJ-SSGANFLRSA-N 0 0 316.441 3.405 1 0 DGAFRN CC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 ZINC000072136044 191047040 /nfs/dbraw/zinc/04/70/40/191047040.db2.gz ICUPNNXGYLNISZ-ZWNOBZJWSA-N 0 0 306.362 3.012 3 0 DGAFRN C[C@H]1NS(=O)(=O)c2cccc(Cl)c2O[C@@H]1c1ccccc1 ZINC000072138364 191047861 /nfs/dbraw/zinc/04/78/61/191047861.db2.gz GNYOHGJCLCXVGL-YGRLFVJLSA-N 0 0 323.801 3.141 3 0 DGAFRN Cc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1C(N)=O ZINC000072173574 191069169 /nfs/dbraw/zinc/06/91/69/191069169.db2.gz RDCCYDCKDJSDFW-RMKNXTFCSA-N 0 0 314.772 3.399 1 0 DGAFRN CC(=O)CCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 ZINC000072179370 191071992 /nfs/dbraw/zinc/07/19/92/191071992.db2.gz NUMSJXILJRNTNK-UHFFFAOYSA-N 0 0 318.398 3.307 1 0 DGAFRN CCC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072184607 191072073 /nfs/dbraw/zinc/07/20/73/191072073.db2.gz LVMWIMJFZLLZAB-CQSZACIVSA-N 0 0 309.291 3.111 1 0 DGAFRN CC(=O)c1cc2ncc(C(=O)NCCCc3ccccc3)cc2[nH]1 ZINC000072322826 191121727 /nfs/dbraw/zinc/12/17/27/191121727.db2.gz UKLWPSNIRFTJPV-UHFFFAOYSA-N 0 0 321.380 3.128 2 0 DGAFRN CCCCn1cc(C(=O)NCc2ccccn2)c2cccnc21 ZINC000072322866 191121771 /nfs/dbraw/zinc/12/17/71/191121771.db2.gz VLIZNFLHKQNNGL-UHFFFAOYSA-N 0 0 308.385 3.161 2 0 DGAFRN O=C(NN1CCc2ccccc2C1)Oc1ccc(Cl)cc1 ZINC000000027369 180670960 /nfs/dbraw/zinc/67/09/60/180670960.db2.gz WEXVNYXVEKRXAG-UHFFFAOYSA-N 0 0 302.761 3.402 1 0 DGAFRN C[C@@]1(c2ccc(Cl)cc2Cl)OC[C@H](Cn2ccnc2)O1 ZINC000000225438 180731740 /nfs/dbraw/zinc/73/17/40/180731740.db2.gz DDNVEWAIDHLLPI-SMDDNHRTSA-N 0 0 313.184 3.478 3 0 DGAFRN CCN(CC)C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000002456018 180925003 /nfs/dbraw/zinc/92/50/03/180925003.db2.gz UAAPOZOLYKPYSD-UHFFFAOYSA-N 0 0 301.367 3.490 3 0 DGAFRN S=C(Nc1cccc(C2N=NC(=S)O2)c1)N1CCCCC1 ZINC000073161006 191287144 /nfs/dbraw/zinc/28/71/44/191287144.db2.gz SQTZTBIBHAQKLL-UHFFFAOYSA-N 0 0 320.443 3.208 1 0 DGAFRN COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@]1(C)c1ccccc1 ZINC000073167268 191288273 /nfs/dbraw/zinc/28/82/73/191288273.db2.gz MVFDAGHVAFZJTD-WOJBJXKFSA-N 0 0 324.376 3.251 1 0 DGAFRN Nc1nc(N2CCCC2)sc1C(=O)c1ccc(Cl)cc1 ZINC000073166864 191287544 /nfs/dbraw/zinc/28/75/44/191287544.db2.gz SQQMRHLWKAYSBI-UHFFFAOYSA-N 0 0 307.806 3.210 1 0 DGAFRN O[C@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C2=NCCN21 ZINC000003614841 181041552 /nfs/dbraw/zinc/04/15/52/181041552.db2.gz HIXQQSRYYLKPER-MRXNPFEDSA-N 0 0 319.191 3.263 1 0 DGAFRN O=C(c1ccco1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000003955704 181058855 /nfs/dbraw/zinc/05/88/55/181058855.db2.gz MPEORVGCTDYFEL-IBGZPJMESA-N 0 0 310.397 3.412 1 0 DGAFRN CC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1 ZINC000073222769 191295159 /nfs/dbraw/zinc/29/51/59/191295159.db2.gz SAENKYVBAKDRBL-OALUTQOASA-N 0 0 321.380 3.366 1 0 DGAFRN CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCCC1 ZINC000004562969 181124878 /nfs/dbraw/zinc/12/48/78/181124878.db2.gz GBHXHCLIGJYUCZ-UHFFFAOYSA-N 0 0 314.385 3.410 1 0 DGAFRN C[C@H]1[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)CCC[C@@H]1C ZINC000004991546 181186724 /nfs/dbraw/zinc/18/67/24/181186724.db2.gz ZQGHLAQDVQGEAY-JJRVBVJISA-N 0 0 314.429 3.368 1 0 DGAFRN O=C(NCc1ccc(Cl)cc1)c1ccc2snnc2c1 ZINC000006809210 181392462 /nfs/dbraw/zinc/39/24/62/181392462.db2.gz GHSONNBUSBZGBN-UHFFFAOYSA-N 0 0 303.774 3.275 1 0 DGAFRN Cc1nn(-c2ccccc2)c2nc3c(nc12)C(=O)c1ccccc1-3 ZINC000095592147 193446507 /nfs/dbraw/zinc/44/65/07/193446507.db2.gz PFFVPAPADSTAAR-UHFFFAOYSA-N 0 0 312.332 3.335 1 0 DGAFRN C[C@@H](NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12)C1CC1 ZINC000096269460 193607495 /nfs/dbraw/zinc/60/74/95/193607495.db2.gz TUNBOTWJAARGCJ-LLVKDONJSA-N 0 0 322.368 3.279 1 0 DGAFRN CCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1 ZINC000096269465 193607786 /nfs/dbraw/zinc/60/77/86/193607786.db2.gz IUHHPKRKDSGDFI-UHFFFAOYSA-N 0 0 324.384 3.451 1 0 DGAFRN COc1cccc([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)c1 ZINC000013123737 181830921 /nfs/dbraw/zinc/83/09/21/181830921.db2.gz SOABXNVIYMJKGZ-KBPBESRZSA-N 0 0 312.398 3.495 3 0 DGAFRN COc1ccc(-c2cn(-c3cccc(C)c3)c(=O)[nH]2)cc1OC ZINC000013544233 181860094 /nfs/dbraw/zinc/86/00/94/181860094.db2.gz FSCILRRKMRKPBQ-UHFFFAOYSA-N 0 0 310.353 3.158 3 0 DGAFRN O=c1cc(N2CCOCC2)oc2cc(-c3ccc(O)cc3)ccc12 ZINC000013677173 181877455 /nfs/dbraw/zinc/87/74/55/181877455.db2.gz FWIZRAZMKDYNGA-UHFFFAOYSA-N 0 0 323.348 3.002 1 0 DGAFRN COc1nc2nc(-c3nc(C)cs3)cn2c2c1CCCC2 ZINC000013822423 181902490 /nfs/dbraw/zinc/90/24/90/181902490.db2.gz NHXNFNNWOHOAJX-UHFFFAOYSA-N 0 0 300.387 3.049 1 0 DGAFRN COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(OC)c1OC ZINC000014758750 181969947 /nfs/dbraw/zinc/96/99/47/181969947.db2.gz NAIULWLSYSLHJW-LBPRGKRZSA-N 0 0 316.353 3.137 1 0 endogenous,in-man DGAFRN Cc1ccc(-n2ccnc(NCc3ccc(F)cc3)c2=O)cc1 ZINC000015732382 182014219 /nfs/dbraw/zinc/01/42/19/182014219.db2.gz TVZNFKMUMUVODW-UHFFFAOYSA-N 0 0 309.344 3.292 1 0 DGAFRN CSCCn1c2ccc(OC(F)(F)F)cc2sc1=O ZINC000026722255 182450777 /nfs/dbraw/zinc/45/07/77/182450777.db2.gz HKFBZQNPVXMAAL-UHFFFAOYSA-N 0 0 309.334 3.325 1 0 DGAFRN C[C@@H](C(N)=O)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027556427 182477616 /nfs/dbraw/zinc/47/76/16/182477616.db2.gz KJANFQGATFVZPD-RTXFEEFZSA-N 0 0 303.427 3.370 1 0 DGAFRN Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1 ZINC000028132545 182509247 /nfs/dbraw/zinc/50/92/47/182509247.db2.gz BANZONFZSLNTGG-UHFFFAOYSA-N 0 0 320.377 3.271 1 0 DGAFRN COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@H]2n1cnnc1 ZINC000028369528 182522121 /nfs/dbraw/zinc/52/21/21/182522121.db2.gz LMPGZLBYDQUITL-IAGOWNOFSA-N 0 0 307.353 3.400 1 0 DGAFRN COc1ccc(/C=C/S(=O)(=O)Cc2ccc(OC)cc2)cc1 ZINC000028965581 182547968 /nfs/dbraw/zinc/54/79/68/182547968.db2.gz PGPPJTXQBPBDIT-VAWYXSNFSA-N 0 0 318.394 3.290 1 0 DGAFRN Cc1cc2c(s1)c1cnn(Cc3ccccc3)c(=O)c1n2C ZINC000036380379 182820914 /nfs/dbraw/zinc/82/09/14/182820914.db2.gz FFIAKGNNETUTBS-UHFFFAOYSA-N 0 0 309.394 3.306 1 0 DGAFRN Cn1cnc(-c2ccccc2)c1-c1cc2c(ncnc2N)s1 ZINC000038927105 183012540 /nfs/dbraw/zinc/01/25/40/183012540.db2.gz NTRDNLUCOPAXFK-UHFFFAOYSA-N 0 0 307.382 3.341 1 0 DGAFRN CC(C)(C)c1ccc2c(c1)[C@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 ZINC000040503883 183084179 /nfs/dbraw/zinc/08/41/79/183084179.db2.gz SGXKIBYCUFLHDY-IRXDYDNUSA-N 0 0 317.429 3.180 1 0 DGAFRN CN1N=Nc2c(C(F)(F)F)nn(-c3ccccc3)c2N(C)C1=O ZINC000040847107 183141431 /nfs/dbraw/zinc/14/14/31/183141431.db2.gz ZSGOMKOCWBLQNL-UHFFFAOYSA-N 0 0 324.266 3.391 1 0 DGAFRN COc1ccc2c(c1)CCC1=C2[C@](C)(O)C[C@]2(C)[C@@H](O)CC[C@@H]12 ZINC000040892826 183146250 /nfs/dbraw/zinc/14/62/50/183146250.db2.gz STKZJBXACPQEGV-QGZVKYPTSA-N 0 0 314.425 3.327 1 0 DGAFRN COc1cc2c(cc1O)[C@@H](Cc1ccccc1)N(C(C)=O)CC2 ZINC000040894544 183147067 /nfs/dbraw/zinc/14/70/67/183147067.db2.gz CPKXZJKQRIPYDQ-QGZVFWFLSA-N 0 0 311.381 3.089 1 0 DGAFRN O=C([O-])Cc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccccc3)CC[C@@H]1N2 ZINC000040915590 183148045 /nfs/dbraw/zinc/14/80/45/183148045.db2.gz IWNQCKRTLOEWCR-HKUYNNGSSA-N 0 0 322.408 3.097 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2O[C@H]31 ZINC000040913460 183148066 /nfs/dbraw/zinc/14/80/66/183148066.db2.gz WFCWSBBWJJBWFD-LJQANCHMSA-N 0 0 320.348 3.266 1 0 DGAFRN Cc1cccc([C@H]2c3cc4c(cc3NC3=COC(=O)C32)OCO4)c1 ZINC000040939301 183149986 /nfs/dbraw/zinc/14/99/86/183149986.db2.gz TWXVOXGPOPUTGS-KRWDZBQOSA-N 0 0 321.332 3.092 1 0 DGAFRN O=C(CCc1ccccc1)Oc1cncc(Br)c1 ZINC000040955049 183151521 /nfs/dbraw/zinc/15/15/21/183151521.db2.gz WSUGYLJFRFIPHC-UHFFFAOYSA-N 0 0 306.159 3.382 1 0 DGAFRN CN1CCN(c2nc3c(nc4ccccc4c3Cl)s2)CC1 ZINC000040879790 183145930 /nfs/dbraw/zinc/14/59/30/183145930.db2.gz XYQLBAUYWYTIIB-UHFFFAOYSA-N 0 0 318.833 3.250 1 0 DGAFRN O=C(c1cc(-c2ccc(F)cc2F)ccc1O)n1ccnc1 ZINC000043060579 183332657 /nfs/dbraw/zinc/33/26/57/183332657.db2.gz OSIMKEGVDGFJOX-UHFFFAOYSA-N 0 0 300.264 3.222 1 0 DGAFRN O=c1cc(-c2ccnc3ccccc32)[nH]c2cc3c(cc12)OCO3 ZINC000043073741 183334665 /nfs/dbraw/zinc/33/46/65/183334665.db2.gz AAAJZOBLSMGZDU-UHFFFAOYSA-N 0 0 316.316 3.472 1 0 DGAFRN CC(C)(C)CN1C(=N)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000045167006 183487267 /nfs/dbraw/zinc/48/72/67/183487267.db2.gz GQTSUQOPBVDUAA-UHFFFAOYSA-N 0 0 321.424 3.343 1 0 DGAFRN CN(C(=O)c1ccc(F)cc1)c1nc(-c2ncccn2)cs1 ZINC000045290194 183495641 /nfs/dbraw/zinc/49/56/41/183495641.db2.gz DSAKEJMVOMQNRD-UHFFFAOYSA-N 0 0 314.345 3.016 1 0 DGAFRN COC(=O)c1c(F)cccc1-c1ccc(CNC(C)=O)c(F)c1 ZINC000045364561 183501895 /nfs/dbraw/zinc/50/18/95/183501895.db2.gz XPDWLANEBFRAMZ-UHFFFAOYSA-N 0 0 319.307 3.055 1 0 DGAFRN Nn1c(Sc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000103274237 193926191 /nfs/dbraw/zinc/92/61/91/193926191.db2.gz VAUUFPBFAYCATM-UHFFFAOYSA-N 0 0 302.790 3.464 1 0 DGAFRN CN(C)c1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1 ZINC000048964516 183699795 /nfs/dbraw/zinc/69/97/95/183699795.db2.gz FNTMLKZFZSPRGA-UHFFFAOYSA-N 0 0 314.776 3.306 1 0 DGAFRN COc1ccc(-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)cc1 ZINC000058583180 184123583 /nfs/dbraw/zinc/12/35/83/184123583.db2.gz VYRHOURHSAYGJL-UHFFFAOYSA-N 0 0 305.337 3.160 1 0 DGAFRN CCOC(=S)CS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000059110938 184134906 /nfs/dbraw/zinc/13/49/06/184134906.db2.gz FVMXBBRDECPKRI-UHFFFAOYSA-N 0 0 320.435 3.491 1 0 DGAFRN COc1ccc(-c2csc([C@@](C)(O)c3ccccc3)n2)cn1 ZINC000061902978 184193617 /nfs/dbraw/zinc/19/36/17/184193617.db2.gz LLPOKSONYMISSK-KRWDZBQOSA-N 0 0 312.394 3.470 3 0 DGAFRN O=C(Nc1cccnc1)c1cncc(-c2ccc(Cl)cc2)n1 ZINC000064393110 184295925 /nfs/dbraw/zinc/29/59/25/184295925.db2.gz JJSHHDVJICWJAP-UHFFFAOYSA-N 0 0 310.744 3.444 1 0 DGAFRN CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccc(Cl)cc2)C(=O)OC1 ZINC000064559429 184299532 /nfs/dbraw/zinc/29/95/32/184299532.db2.gz HGHBUWQKBGHDKB-LLVKDONJSA-N 0 0 322.788 3.486 1 0 DGAFRN CC(C)(C)C(=O)OC[C@@H]1C=C(c2cccc(Cl)c2)C(=O)OC1 ZINC000064559270 184299802 /nfs/dbraw/zinc/29/98/02/184299802.db2.gz LXEZWUWTDKQGHG-LLVKDONJSA-N 0 0 322.788 3.486 1 0 DGAFRN O=C(NCC1CC1)c1ccc(-n2sc3ccccc3c2=O)cc1 ZINC000064610505 184301750 /nfs/dbraw/zinc/30/17/50/184301750.db2.gz YQXQCHCUTISHOI-UHFFFAOYSA-N 0 0 324.405 3.192 1 0 DGAFRN O=C(c1cccc(-n2sc3ccccc3c2=O)c1)N1CCCC1 ZINC000064621977 184301890 /nfs/dbraw/zinc/30/18/90/184301890.db2.gz ZXWSVYUWKCIAID-UHFFFAOYSA-N 0 0 324.405 3.288 1 0 DGAFRN COc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 ZINC000066114435 184390498 /nfs/dbraw/zinc/39/04/98/184390498.db2.gz UMKIFTLXLXXJKK-DHZHZOJOSA-N 0 0 302.337 3.457 1 0 DGAFRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2oc(=O)[nH]c21 ZINC000084394934 431823389 /nfs/dbraw/zinc/82/33/89/431823389.db2.gz HVVRTUOTRDAOFY-UHFFFAOYSA-N 0 0 322.242 3.392 1 0 DGAFRN COc1ccc(N[C@H]2C[C@@H]3CCN4C(=O)CCC[C@H](C2)[C@H]34)cc1 ZINC000013814076 518157655 /nfs/dbraw/zinc/15/76/55/518157655.db2.gz YYWKMSBHUKUFKR-QHHYFVSCSA-N 0 0 314.429 3.287 1 0 DGAFRN CC(C)=CCc1cc2c(c(C=O)c1O)CC[C@@H](/C=C/[C@H](C)O)O2 ZINC000013385298 560216152 /nfs/dbraw/zinc/21/61/52/560216152.db2.gz XWZLFKLXNARMNW-KSLFURFDSA-N 0 0 316.397 3.344 1 0 in-vitro DGAFRN CC(C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000013480084 560217259 /nfs/dbraw/zinc/21/72/59/560217259.db2.gz JBQHVGSHZLWWDC-AWEZNQCLSA-N 0 0 316.353 3.074 1 0 biogenic,in-vitro DGAFRN COc1cccc2c1-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000014683249 560224190 /nfs/dbraw/zinc/22/41/90/560224190.db2.gz SKQCMMAAFNFEPY-CYBMUJFWSA-N 0 0 309.365 3.176 1 0 biogenic,in-vitro DGAFRN NC(=O)Cc1c2cc(O)ccc2n(Cc2ccccc2)c1C1CC1 ZINC000013445742 581100907 /nfs/dbraw/zinc/10/09/07/581100907.db2.gz OYFJLSSCYHASQQ-UHFFFAOYSA-N 0 0 320.392 3.300 1 0 DGAFRN CC(=O)Nc1nc(C)c(-c2cnc(Oc3cccnc3)o2)s1 ZINC000095559366 185380049 /nfs/dbraw/zinc/38/00/49/185380049.db2.gz RLCMKGIYRDAFFS-UHFFFAOYSA-N 0 0 316.342 3.252 1 0 DGAFRN COC(=O)C1=C(C)O[P@@](=O)(OC)CC[C@@H]1c1ccccc1 ZINC000095579145 185380837 /nfs/dbraw/zinc/38/08/37/185380837.db2.gz OVUODHGSBZCOGS-ASSNKEHSSA-N 0 0 310.286 3.477 1 0 DGAFRN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCCO2 ZINC000095588199 185381634 /nfs/dbraw/zinc/38/16/34/185381634.db2.gz LVQWMXINLBWGOR-KRWDZBQOSA-N 0 0 322.364 3.155 1 0 DGAFRN c1ccc(S[C@]23CCCN(CCCC2)C32OCCO2)cc1 ZINC000095598978 185382437 /nfs/dbraw/zinc/38/24/37/185382437.db2.gz NUODQJZBQIYAAI-INIZCTEOSA-N 0 0 305.443 3.498 3 0 DGAFRN Nc1nc(NCc2ccccc2)c2c(n1)-c1ccccc1CC2 ZINC000082157967 185173965 /nfs/dbraw/zinc/17/39/65/185173965.db2.gz QIOFOIKQDDYRJJ-UHFFFAOYSA-N 0 0 302.381 3.437 1 0 DGAFRN COc1cc([C@@H]2CCc3cc(OC)c(OC)cc3O2)ccc1O ZINC000096921294 185391690 /nfs/dbraw/zinc/39/16/90/185391690.db2.gz JLLHPTPUDAXLAG-AWEZNQCLSA-N 0 0 316.353 3.484 1 0 DGAFRN Oc1ccc2c(c1)C[C@@H]1c3cc(O)c(Cl)cc3CCN1C2 ZINC000096930019 185392173 /nfs/dbraw/zinc/39/21/73/185392173.db2.gz CJOFMPAUHPDCBS-MRXNPFEDSA-N 0 0 301.773 3.407 1 0 DGAFRN Nc1nccc(-c2cn(C(=O)c3ccccc3)c3ccccc23)n1 ZINC000103297217 185445393 /nfs/dbraw/zinc/44/53/93/185445393.db2.gz IADVBWKEPBOCRQ-UHFFFAOYSA-N 0 0 314.348 3.369 1 0 DGAFRN CC(=O)Oc1ccc2cc(-c3ccc(N(C)C)cc3)c(=O)oc2c1 ZINC000071316932 190956502 /nfs/dbraw/zinc/95/65/02/190956502.db2.gz FHFYEZXIBRUIIW-UHFFFAOYSA-N 0 0 323.348 3.451 1 0 DGAFRN Cc1ccncc1[C@@](O)(c1ccc(Cl)cc1)c1cncnc1 ZINC000072102074 191037196 /nfs/dbraw/zinc/03/71/96/191037196.db2.gz FTBOUWHFVXNTSB-QGZVFWFLSA-N 0 0 311.772 3.118 1 0 DGAFRN Cc1ccc([C@](O)(c2ccc(Cl)cc2)c2cncnc2)cn1 ZINC000072141214 191049261 /nfs/dbraw/zinc/04/92/61/191049261.db2.gz OSVWOMBSJDRKOJ-QGZVFWFLSA-N 0 0 311.772 3.118 1 0 DGAFRN O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CC1 ZINC000072142346 191049657 /nfs/dbraw/zinc/04/96/57/191049657.db2.gz OOTOAIYSZNCDHJ-AWEZNQCLSA-N 0 0 321.302 3.111 1 0 DGAFRN COC(=O)c1nc(C2CCCCC2)n(-c2ccc(F)cc2)n1 ZINC000072181355 191072275 /nfs/dbraw/zinc/07/22/75/191072275.db2.gz DLTDRPYRVHVJLV-UHFFFAOYSA-N 0 0 303.337 3.241 1 0 DGAFRN CC[C@H]1Nc2c(-c3ccco3)cc(Cl)cc2S(=O)(=O)N1 ZINC000084711931 192458886 /nfs/dbraw/zinc/45/88/86/192458886.db2.gz GGBLEVJRYZDCCJ-LBPRGKRZSA-N 0 0 312.778 3.040 1 0 DGAFRN O=C(NC1CCCCCC1)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000000427188 180787024 /nfs/dbraw/zinc/78/70/24/180787024.db2.gz OMDREPAYIYVNCK-KRWDZBQOSA-N 0 0 312.413 3.185 3 0 DGAFRN CC(C)N1C(=O)c2ccccc2[C@H]1C(=O)NC1CCC(C)CC1 ZINC000000427181 180787480 /nfs/dbraw/zinc/78/74/80/180787480.db2.gz UFLLKIGVNIVYLO-KVULBXGLSA-N 0 0 314.429 3.287 1 0 DGAFRN ClC(Cl)(Cl)[C@@H]1CCO[C@@H]1n1nc2ccccc2n1 ZINC000001648756 180883273 /nfs/dbraw/zinc/88/32/73/180883273.db2.gz DKXWGSSZGCRMBJ-XCBNKYQSSA-N 0 0 306.580 3.337 1 0 DGAFRN CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000001913148 180901731 /nfs/dbraw/zinc/90/17/31/180901731.db2.gz ZHHCPBUPYWUKFI-UHFFFAOYSA-N 0 0 314.316 3.303 1 0 DGAFRN CCOP(=O)(OCC)OCc1ccc(OC(C)=O)cc1 ZINC000073162799 191287039 /nfs/dbraw/zinc/28/70/39/191287039.db2.gz CXYWKPRLDZUCEO-UHFFFAOYSA-N 0 0 302.263 3.310 1 0 DGAFRN CCOP(=O)(OCC)OCc1ccccc1OC(C)=O ZINC000073166959 191287573 /nfs/dbraw/zinc/28/75/73/191287573.db2.gz MGNFPDVGUJYWJS-UHFFFAOYSA-N 0 0 302.263 3.310 1 0 DGAFRN O=C1CCc2cc([C@@H](c3ccccc3)n3ccnc3)ccc2N1 ZINC000003791380 181045981 /nfs/dbraw/zinc/04/59/81/181045981.db2.gz RVFWZZNOQSIYGX-LJQANCHMSA-N 0 0 303.365 3.406 1 0 DGAFRN OCCn1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21 ZINC000003948714 181058603 /nfs/dbraw/zinc/05/86/03/181058603.db2.gz OSSCGRZBJBJCLX-UHFFFAOYSA-N 0 0 322.286 3.420 1 0 DGAFRN CCOc1ccc(O)c(-c2cc(-c3ccccc3)nc(N)n2)c1 ZINC000073292519 191301551 /nfs/dbraw/zinc/30/15/51/191301551.db2.gz INLQAVSBAAUSMG-UHFFFAOYSA-N 0 0 307.353 3.497 1 0 DGAFRN COc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1 ZINC000004800967 181152938 /nfs/dbraw/zinc/15/29/38/181152938.db2.gz RHKMITZWJYFSTP-UHFFFAOYSA-N 0 0 308.381 3.388 1 0 DGAFRN CCn1c2ccccc2c2sc(C(=O)NC(C)C)cc2c1=O ZINC000004939038 181175695 /nfs/dbraw/zinc/17/56/95/181175695.db2.gz XHZVBAADSRPXES-UHFFFAOYSA-N 0 0 314.410 3.374 3 0 DGAFRN O=C(NC1CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132126 181207760 /nfs/dbraw/zinc/20/77/60/181207760.db2.gz BAWIBKGOMJWPDH-UHFFFAOYSA-N 0 0 310.378 3.296 3 0 DGAFRN CCN1c2ncccc2-c2nnc(C(C)C)n2-c2cccnc21 ZINC000005841666 181288492 /nfs/dbraw/zinc/28/84/92/181288492.db2.gz NPEBEORKTTZTHX-UHFFFAOYSA-N 0 0 306.373 3.319 1 0 DGAFRN CC(=O)Oc1cc(/C=C/c2ccc(O)cc2)cc(OC(C)=O)c1 ZINC000005858382 181290426 /nfs/dbraw/zinc/29/04/26/181290426.db2.gz YBTSXNIAKDYGPK-ONEGZZNKSA-N 0 0 312.321 3.413 1 0 DGAFRN CC[C@@]1(C)NC(c2cnccn2)=NN1c1ccc(Cl)cc1 ZINC000006018088 181306428 /nfs/dbraw/zinc/30/64/28/181306428.db2.gz VICDSXJRDZDORS-HNNXBMFYSA-N 0 0 301.781 3.028 1 0 DGAFRN COc1ccc([C@H]2Oc3cc(OC)c(O)cc3[C@@H]2C)cc1O ZINC000006067134 181309874 /nfs/dbraw/zinc/30/98/74/181309874.db2.gz AHLYGBUCWDHKBC-XYZCENFISA-N 0 0 302.326 3.352 1 0 DGAFRN C[C@H]1Cn2c(=O)[nH]c3cc(Cl)cc(c32)CN1CC1CCC1 ZINC000006495314 181345786 /nfs/dbraw/zinc/34/57/86/181345786.db2.gz OHCDAJUVILOSQN-JTQLQIEISA-N 0 0 305.809 3.400 1 0 DGAFRN C[C@@H](NC(=O)N1C(=O)C[C@H]1Cc1ccccc1)c1ccccc1 ZINC000006494401 181345810 /nfs/dbraw/zinc/34/58/10/181345810.db2.gz IHJQOIRUFRQAPK-RHSMWYFYSA-N 0 0 308.381 3.301 1 0 DGAFRN CC[C@@H](C(=O)N1CCCC1)n1c(C(=O)OC)cc2sccc21 ZINC000006820735 181394953 /nfs/dbraw/zinc/39/49/53/181394953.db2.gz SEMFANVEJZSMPU-NSHDSACASA-N 0 0 320.414 3.063 1 0 DGAFRN COc1cccc([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)c1 ZINC000013123738 181830695 /nfs/dbraw/zinc/83/06/95/181830695.db2.gz SOABXNVIYMJKGZ-UONOGXRCSA-N 0 0 312.398 3.495 3 0 DGAFRN C[C@@H](Nc1c(=O)c(=O)c1Nc1cccc2cccnc21)C(C)(C)C ZINC000013806342 181899293 /nfs/dbraw/zinc/89/92/93/181899293.db2.gz NWNPLRINQUHCBR-BHLSVXHMSA-N 0 0 323.396 3.089 1 0 DGAFRN CCc1ccc(CN2CCc3nc(N4CCCC4)ncc3C2)cc1 ZINC000015779332 182016763 /nfs/dbraw/zinc/01/67/63/182016763.db2.gz MEFYAUAXMKJJKC-UHFFFAOYSA-N 0 0 322.456 3.198 1 0 DGAFRN COC(=O)[C@H]1[C@H](OCc2ccccc2)[C@@H]2CC[C@@]1(OC)C=C2C ZINC000017176301 182078818 /nfs/dbraw/zinc/07/88/18/182078818.db2.gz ULJICKZWPMDBRR-YWTNHNAXSA-N 0 0 316.397 3.116 1 0 DGAFRN Oc1ccc(-c2n[nH]cc2-c2cnn(-c3ccccc3)c2)c(O)c1 ZINC000017920484 182088279 /nfs/dbraw/zinc/08/82/79/182088279.db2.gz ICSLOTATNMMLRA-UHFFFAOYSA-N 0 0 318.336 3.341 1 0 DGAFRN Cc1cccc2c(=O)c(NC(=O)N3C[C@@H](C)C[C@H](C)C3)c[nH]c12 ZINC000020463405 182220664 /nfs/dbraw/zinc/22/06/64/182220664.db2.gz DMRLXSNIQCVOJJ-RYUDHWBXSA-N 0 0 313.401 3.346 1 0 DGAFRN O=C1N[C@@H]2CCCCC[C@@H]2N1c1nc2ccc(F)c(F)c2o1 ZINC000026653250 182448986 /nfs/dbraw/zinc/44/89/86/182448986.db2.gz LENHHZQGSWCZJW-KOLCDFICSA-N 0 0 307.300 3.337 1 0 DGAFRN Nc1cc(Br)ccc1Nc1ncnc2ccncc21 ZINC000029133043 182553863 /nfs/dbraw/zinc/55/38/63/182553863.db2.gz QKKBUEUVYPZNQC-UHFFFAOYSA-N 0 0 316.162 3.113 1 0 DGAFRN CO[C@@]1(c2ccccc2)N=CC(=O)N(C)c2ccc(Cl)cc21 ZINC000033829470 182723407 /nfs/dbraw/zinc/72/34/07/182723407.db2.gz KMXJSNULPWPFAK-QGZVFWFLSA-N 0 0 314.772 3.235 1 0 DGAFRN Clc1cccc(-c2nnnn2Cc2ccncc2)c1Cl ZINC000035825128 182789390 /nfs/dbraw/zinc/78/93/90/182789390.db2.gz KYESEAQRWRXGCA-UHFFFAOYSA-N 0 0 306.156 3.090 1 0 DGAFRN COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC ZINC000038819841 183010079 /nfs/dbraw/zinc/01/00/79/183010079.db2.gz XRFFUVUJIBWJII-UHFFFAOYSA-N 0 0 311.341 3.405 1 0 DGAFRN COc1cccc(C2=NCC(=O)Nc3ccc(Cl)cc32)c1 ZINC000039241472 183015628 /nfs/dbraw/zinc/01/56/28/183015628.db2.gz JPSGKFVCUQLFJS-UHFFFAOYSA-N 0 0 300.745 3.138 1 0 DGAFRN COc1cc2c(cc1OC)-c1cc3cc(C)ccc3c(=O)n1C2 ZINC000040395612 183060803 /nfs/dbraw/zinc/06/08/03/183060803.db2.gz VDPVAFDQMOUSFB-UHFFFAOYSA-N 0 0 307.349 3.356 1 0 DGAFRN CC(=O)c1cc2c(cc1O)C[C@@]1(O2)[C@@H](C)CC[C@@H](O)C1(C)C ZINC000040575972 183104701 /nfs/dbraw/zinc/10/47/01/183104701.db2.gz RYEIGWLPNHBHCW-FEMPBKKVSA-N 0 0 304.386 3.086 1 0 DGAFRN O=C1c2cc(-c3ccccc3)nn2CCN1Cc1ccccc1 ZINC000040846413 183141218 /nfs/dbraw/zinc/14/12/18/183141218.db2.gz QCJKBIOPZYBASY-UHFFFAOYSA-N 0 0 303.365 3.206 1 0 DGAFRN CN(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 ZINC000040845264 183141390 /nfs/dbraw/zinc/14/13/90/183141390.db2.gz YMGYTJBSFNAKGY-UHFFFAOYSA-N 0 0 306.369 3.164 1 0 DGAFRN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2ncccc12 ZINC000040897755 183147016 /nfs/dbraw/zinc/14/70/16/183147016.db2.gz RNKFZVFXCPAWNK-UHFFFAOYSA-N 0 0 308.337 3.050 1 0 DGAFRN COc1cc2c(cc1O)[C@H](Cc1ccccc1)N(C(C)=O)CC2 ZINC000040894541 183147181 /nfs/dbraw/zinc/14/71/81/183147181.db2.gz CPKXZJKQRIPYDQ-KRWDZBQOSA-N 0 0 311.381 3.089 1 0 DGAFRN Cn1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1 ZINC000040973541 183153645 /nfs/dbraw/zinc/15/36/45/183153645.db2.gz MAOYHJWWEYWDEQ-UHFFFAOYSA-N 0 0 313.364 3.443 1 0 DGAFRN CCS(=O)(=O)c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000040977217 183154626 /nfs/dbraw/zinc/15/46/26/183154626.db2.gz VXSJZJACMNKOEE-UHFFFAOYSA-N 0 0 305.330 3.428 1 0 DGAFRN CCCCCCNC(=O)Oc1ccc(C(=O)OC)cc1OC ZINC000042920863 183318033 /nfs/dbraw/zinc/31/80/33/183318033.db2.gz AOJZCLHMKVASSD-UHFFFAOYSA-N 0 0 309.362 3.151 1 0 DGAFRN Cn1c2cc(F)cc(F)c2nc1-c1ccc(-n2cncn2)cc1 ZINC000043075031 183334410 /nfs/dbraw/zinc/33/44/10/183334410.db2.gz UNIAEPGGFFUZPJ-UHFFFAOYSA-N 0 0 311.295 3.099 1 0 DGAFRN CN(C(=O)c1ccc(F)cc1)c1nc(-c2cnccn2)cs1 ZINC000045261727 183491953 /nfs/dbraw/zinc/49/19/53/183491953.db2.gz CNLCCQIYHWYAQX-UHFFFAOYSA-N 0 0 314.345 3.016 1 0 DGAFRN O=C1Cc2cnc(Nc3ccccc3)nc2-c2ccccc2N1 ZINC000045385115 183503164 /nfs/dbraw/zinc/50/31/64/183503164.db2.gz IAKSXYZIQGVUIF-UHFFFAOYSA-N 0 0 302.337 3.382 1 0 DGAFRN CC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000045394108 183503887 /nfs/dbraw/zinc/50/38/87/183503887.db2.gz MYJJKCNSCDQVQH-UHFFFAOYSA-N 0 0 303.383 3.023 1 0 DGAFRN CSc1nnc(NC(=O)c2ccnc3ccccc32)s1 ZINC000103293529 193926430 /nfs/dbraw/zinc/92/64/30/193926430.db2.gz BLHPOHFRAPHQEM-UHFFFAOYSA-N 0 0 302.384 3.061 1 0 DGAFRN O=C(Nc1ccc(-c2ccncc2)c(-c2cnco2)n1)C1CC1 ZINC000049032619 183703267 /nfs/dbraw/zinc/70/32/67/183703267.db2.gz FKVPNOVTCOJFFH-UHFFFAOYSA-N 0 0 306.325 3.147 1 0 DGAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(C)o2)cc1 ZINC000058046251 184070630 /nfs/dbraw/zinc/07/06/30/184070630.db2.gz XVSSSZTXPJZHMA-WBVHZDCISA-N 0 0 312.369 3.106 3 0 DGAFRN CC[C@@H](C)NC(=O)c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000058052359 184071705 /nfs/dbraw/zinc/07/17/05/184071705.db2.gz FKDIYKUXCOQTHU-XUSGNXJCSA-N 0 0 305.399 3.116 1 0 DGAFRN COCCCNc1ccn2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000061907751 184194519 /nfs/dbraw/zinc/19/45/19/184194519.db2.gz PYZZWJRNYCAGAY-UHFFFAOYSA-N 0 0 316.792 3.498 3 0 DGAFRN CCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000061927325 184196365 /nfs/dbraw/zinc/19/63/65/184196365.db2.gz CEMJSMMDDFDOMK-CQSZACIVSA-N 0 0 315.200 3.333 3 0 DGAFRN C[C@@H]1NS(=O)(=O)c2cc(Cl)ccc2O[C@@H]1c1ccccc1 ZINC000061931125 184196616 /nfs/dbraw/zinc/19/66/16/184196616.db2.gz AZSTVLMEUGAUHT-BONVTDFDSA-N 0 0 323.801 3.141 3 0 DGAFRN CCCCNC(=O)N1OC[C@@H]2CSc3ccc(F)cc3[C@@H]21 ZINC000062225430 184224177 /nfs/dbraw/zinc/22/41/77/184224177.db2.gz KQWKEFISWLJZKO-QMTHXVAHSA-N 0 0 310.394 3.346 1 0 DGAFRN O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccc(O)cc12 ZINC000062611222 184245570 /nfs/dbraw/zinc/24/55/70/184245570.db2.gz FRAFXYQJEIADQB-RMKNXTFCSA-N 0 0 306.365 3.246 1 0 in-vitro DGAFRN COc1ccc([C@H](C)O)cc1-c1cc(OC)c(OC)c(OC)c1 ZINC000064574003 184300571 /nfs/dbraw/zinc/30/05/71/184300571.db2.gz YRWZORVBMXAJEJ-NSHDSACASA-N 0 0 318.369 3.441 1 0 DGAFRN CCN(C)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000066148929 184393143 /nfs/dbraw/zinc/39/31/43/184393143.db2.gz QQMMDWIXEPHCHM-UHFFFAOYSA-N 0 0 307.353 3.482 1 0 DGAFRN O=c1c(Oc2ccc(O)cc2)c(Cl)cnn1-c1ccccc1 ZINC000066167215 184394456 /nfs/dbraw/zinc/39/44/56/184394456.db2.gz FAXJCHPLHYTAOD-UHFFFAOYSA-N 0 0 314.728 3.384 1 0 DGAFRN COC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12 ZINC000066261873 184399905 /nfs/dbraw/zinc/39/99/05/184399905.db2.gz RRBNIVRNNUXLBK-USRVPUAWSA-N 0 0 316.441 3.482 1 0 DGAFRN O=c1cc(N2CCOCC2)oc2cc(Oc3ccccc3)ccc12 ZINC000028569939 134670893 /nfs/dbraw/zinc/67/08/93/134670893.db2.gz CEQQLSFIJPCAMP-UHFFFAOYSA-N 0 0 323.348 3.422 1 0 DGAFRN CCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1C ZINC000028953745 134672185 /nfs/dbraw/zinc/67/21/85/134672185.db2.gz DVQYYMGJFMECJM-MRVPVSSYSA-N 0 0 312.291 3.154 1 0 DGAFRN CCOC(=O)c1cn(-c2ccc(OCc3ccccc3)cc2)nn1 ZINC000585144084 400128542 /nfs/dbraw/zinc/12/85/42/400128542.db2.gz BAGWMSYWCVTERU-UHFFFAOYSA-N 0 0 323.352 3.023 2 0 DGAFRN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCc1ccccn1 ZINC000007111134 431333904 /nfs/dbraw/zinc/33/39/04/431333904.db2.gz AEYJUXMTCWTMAT-UHFFFAOYSA-N 0 0 321.163 3.227 1 0 DGAFRN C[C@@H]1C[C@H](C)CN2c3ccccc3CC3(C(=O)CCCC3=O)[C@@H]12 ZINC000005274393 288655331 /nfs/dbraw/zinc/65/53/31/288655331.db2.gz WIGLJHDXYHQDGW-IQUTYRLHSA-N 0 0 311.425 3.402 2 0 DGAFRN O=C(Cn1c(=O)sc2ccccc21)N1CCCc2ccccc21 ZINC000002461556 295560128 /nfs/dbraw/zinc/56/01/28/295560128.db2.gz HMAJEYWMFCUNQI-UHFFFAOYSA-N 0 0 324.405 3.042 1 0 DGAFRN COc1cc(O)cc(/C=C\c2ccc(O)c(OC)c2OC)c1 ZINC000095914340 560055756 /nfs/dbraw/zinc/05/57/56/560055756.db2.gz VACLJIVMBBSOOR-PLNGDYQASA-N 0 0 302.326 3.294 1 0 biogenic,in-vitro DGAFRN COc1cc2c(cc1CCCc1ccc(O)c(C)c1O)OCO2 ZINC000013335274 560214484 /nfs/dbraw/zinc/21/44/84/560214484.db2.gz ZHXRQKSQLJACJY-UHFFFAOYSA-N 0 0 316.353 3.319 1 0 biogenic,in-vitro DGAFRN CC(C)(C)[C@H](O)[C@H](CCCOc1ccccc1)n1cncn1 ZINC000013548419 560219671 /nfs/dbraw/zinc/21/96/71/560219671.db2.gz UEELDJHOXQEBQT-JKSUJKDBSA-N 0 0 303.406 3.085 1 0 in-vitro DGAFRN COc1c(O)c2c3c(c1OC)CCN(C)[C@H]3Cc1ccccc1-2 ZINC000014775226 560226268 /nfs/dbraw/zinc/22/62/68/560226268.db2.gz BIIHCZLUQVXIQY-AWEZNQCLSA-N 0 0 311.381 3.162 1 0 biogenic,in-vitro DGAFRN O=C1c2cc(F)ccc2N[C@H]2c3[nH]c4ccccc4c3CCN12 ZINC000095557751 185379836 /nfs/dbraw/zinc/37/98/36/185379836.db2.gz QBMNCJXJOVDTGM-QGZVFWFLSA-N 0 0 307.328 3.430 1 0 DGAFRN O=C([C@H]1C[C@@H]2CC[C@H]1C2)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000095573066 185380566 /nfs/dbraw/zinc/38/05/66/185380566.db2.gz DZHVJBFLDOOJPZ-INWMFGNUSA-N 0 0 323.396 3.099 1 0 DGAFRN CC(C)(C)n1nc(Cc2cc(F)cc(F)c2)c2c1ncnc2N ZINC000095585071 185381472 /nfs/dbraw/zinc/38/14/72/185381472.db2.gz GFAVGLXIXAHTSJ-UHFFFAOYSA-N 0 0 317.343 3.033 1 0 DGAFRN CCc1cccn1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000095597285 185382459 /nfs/dbraw/zinc/38/24/59/185382459.db2.gz KBZCHSOVUCUOEB-UHFFFAOYSA-N 0 0 303.305 3.306 1 0 DGAFRN Cc1c(C(=O)Nc2cccc(C)n2)nn(C)c1-c1ccc(F)cc1 ZINC000095605293 185382821 /nfs/dbraw/zinc/38/28/21/185382821.db2.gz JYCCCXGEVUVDRQ-UHFFFAOYSA-N 0 0 324.359 3.490 1 0 DGAFRN Cc1ccc(NC(=O)c2cnco2)cc1-c1nc2ncccc2o1 ZINC000096914398 185391191 /nfs/dbraw/zinc/39/11/91/185391191.db2.gz NVWGHDMEAGICIU-UHFFFAOYSA-N 0 0 320.308 3.439 1 0 DGAFRN O=C(Nc1cc(-c2nc3ncccc3o2)ccn1)c1ccco1 ZINC000096914422 185391335 /nfs/dbraw/zinc/39/13/35/185391335.db2.gz HTCXKNITZGUVGH-UHFFFAOYSA-N 0 0 306.281 3.130 1 0 DGAFRN O=C1OCc2ccc(OCCOc3ccc(Cl)cc3)cc21 ZINC000096927360 185392049 /nfs/dbraw/zinc/39/20/49/185392049.db2.gz QNBVPRCNWPHIKO-UHFFFAOYSA-N 0 0 304.729 3.468 1 0 DGAFRN COc1c(O)ccc(C/C=C/c2ccc3c(c2)OCO3)c1OC ZINC000096929669 185392327 /nfs/dbraw/zinc/39/23/27/185392327.db2.gz VBWXGJWGYXIXET-ONEGZZNKSA-N 0 0 314.337 3.394 1 0 DGAFRN Cc1ccnc2c1cccc2N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@]2(C)C1=O ZINC000088771456 185265126 /nfs/dbraw/zinc/26/51/26/185265126.db2.gz JQBCHOWMNYKZNR-XBMZAUBUSA-N 0 0 318.376 3.245 1 0 DGAFRN CC(C)(C)Oc1nc2cccnc2n1-c1ccc2c(c1)OCO2 ZINC000169320948 197740683 /nfs/dbraw/zinc/74/06/83/197740683.db2.gz LLTJTPGLQNLLOV-UHFFFAOYSA-N 0 0 311.341 3.327 1 0 DGAFRN CCc1nn(C)c(C(=O)NCc2ccc(SC)cc2)c1Cl ZINC000103196437 185438112 /nfs/dbraw/zinc/43/81/12/185438112.db2.gz RZDVIUSHKGOOCP-UHFFFAOYSA-N 0 0 323.849 3.288 1 0 DGAFRN CCOC(=O)c1c[nH]nc1NC(=S)Nc1ccccc1Cl ZINC000103211479 185438561 /nfs/dbraw/zinc/43/85/61/185438561.db2.gz KAUPTOXLJQZXIA-UHFFFAOYSA-N 0 0 324.793 3.049 1 0 DGAFRN COC(CN(C)Cc1coc(-c2ccccc2Cl)n1)OC ZINC000072102842 191036616 /nfs/dbraw/zinc/03/66/16/191036616.db2.gz VGJVAOBACNDPGF-UHFFFAOYSA-N 0 0 310.781 3.046 1 0 DGAFRN C[C@H]1Nc2ccc(N3CCCC3)cc2C(=O)N1c1cccc(O)c1 ZINC000072116426 191038034 /nfs/dbraw/zinc/03/80/34/191038034.db2.gz RQGWOUZYWVQTNY-ZDUSSCGKSA-N 0 0 323.396 3.411 1 0 DGAFRN COc1cccc(-n2c(=O)c3c(n2C)[C@]2(C)CC[C@H]3C2(C)C)c1 ZINC000141778448 186031341 /nfs/dbraw/zinc/03/13/41/186031341.db2.gz USEUGACTKRBWBJ-KUHUBIRLSA-N 0 0 312.413 3.360 1 0 DGAFRN COC(=O)C1CCN(Cc2coc(-c3ccccc3C)n2)CC1 ZINC000072182729 191072331 /nfs/dbraw/zinc/07/23/31/191072331.db2.gz HGKYTQJPDSIFOK-UHFFFAOYSA-N 0 0 314.385 3.035 1 0 DGAFRN O[C@](c1nccs1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000072186087 191072973 /nfs/dbraw/zinc/07/29/73/191072973.db2.gz DRDHVXRGOATDOK-OAHLLOKOSA-N 0 0 302.786 3.476 1 0 DGAFRN CCN(C(=O)c1cnc2[nH]c(C(C)=O)cc2c1)c1ccccc1 ZINC000072323882 191122110 /nfs/dbraw/zinc/12/21/10/191122110.db2.gz HWATWBZNGUOMCM-UHFFFAOYSA-N 0 0 307.353 3.432 2 0 DGAFRN O=C(C1CCCCC1)N1CCC(n2nnc3ccccc32)CC1 ZINC000001380489 180857469 /nfs/dbraw/zinc/85/74/69/180857469.db2.gz UTPRPFUTKPXTDJ-UHFFFAOYSA-N 0 0 312.417 3.175 3 0 DGAFRN COc1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1 ZINC000002034134 180907373 /nfs/dbraw/zinc/90/73/73/180907373.db2.gz JBQMWDLZHNLXHA-UHFFFAOYSA-N 0 0 304.564 3.374 1 0 DGAFRN CCc1nnc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)nc3ccccc3n12 ZINC000003784278 181045934 /nfs/dbraw/zinc/04/59/34/181045934.db2.gz XGWOSEAXTNRANV-OUCADQQQSA-N 0 0 307.401 3.440 1 0 DGAFRN C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@H]1CC ZINC000003796294 181046445 /nfs/dbraw/zinc/04/64/45/181046445.db2.gz XIHGDBYGUWEHCV-FSEPSNHWSA-N 0 0 324.461 3.499 1 0 in-vitro DGAFRN Cc1cc(O)c2c(c1)oc(=O)c1c2CCN(Cc2ccccc2)C1 ZINC000003609897 181040031 /nfs/dbraw/zinc/04/00/31/181040031.db2.gz ZGJQCYQHRMZBNX-UHFFFAOYSA-N 0 0 321.376 3.365 1 0 DGAFRN CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1CC ZINC000004142788 181078439 /nfs/dbraw/zinc/07/84/39/181078439.db2.gz BOILCSSHLMAKTH-UHFFFAOYSA-N 0 0 320.433 3.318 3 0 DGAFRN C=CC1=C(C(=O)NC(C)(C)C)[C@@H](c2ccc(OC)cc2)OC1 ZINC000073221208 191294356 /nfs/dbraw/zinc/29/43/56/191294356.db2.gz PRZMSZOFYRMWTC-MRXNPFEDSA-N 0 0 301.386 3.164 1 0 DGAFRN CN(C)C(=O)c1ccc(-c2ccc3ncnc(N(C)C)c3c2)cc1 ZINC000004265523 181089921 /nfs/dbraw/zinc/08/99/21/181089921.db2.gz MAFUZRBDQMGEQO-UHFFFAOYSA-N 0 0 320.396 3.065 1 0 DGAFRN CCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 ZINC000073294299 191300815 /nfs/dbraw/zinc/30/08/15/191300815.db2.gz HDNFEZSIQRFFIC-UHFFFAOYSA-N 0 0 303.753 3.228 1 0 DGAFRN CC(=O)Nc1c(=O)[nH]cc(C)c1Sc1cc(C)cc(C)c1 ZINC000005892077 181293510 /nfs/dbraw/zinc/29/35/10/181293510.db2.gz FATTXJGHNGENGH-UHFFFAOYSA-N 0 0 302.399 3.410 1 0 DGAFRN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000006482630 181344336 /nfs/dbraw/zinc/34/43/36/181344336.db2.gz UJPILRQDXJVBHX-VNTOXUBHSA-N 0 0 303.446 3.036 1 0 DGAFRN Cc1cc(C)cc(Nc2nccc(-c3nc(CO)cs3)n2)c1 ZINC000006716290 181376919 /nfs/dbraw/zinc/37/69/19/181376919.db2.gz UPRPVDAEXQKBSI-UHFFFAOYSA-N 0 0 312.398 3.453 1 0 DGAFRN Oc1ccc(Cc2nnc3ccc(-c4ccc(F)cc4)nn32)cc1 ZINC000096284606 193609924 /nfs/dbraw/zinc/60/99/24/193609924.db2.gz OEDWCZQOHLVVLK-UHFFFAOYSA-N 0 0 320.327 3.227 1 0 DGAFRN COc1ccc(-c2c(C)onc2-c2ccc3c(c2)OCO3)cn1 ZINC000012474211 181766175 /nfs/dbraw/zinc/76/61/75/181766175.db2.gz NLQLTRFMSLQUOH-UHFFFAOYSA-N 0 0 310.309 3.449 3 0 DGAFRN O=C1NC(=O)C(c2ccc(Cl)cc2)=C1c1c[nH]c2ccccc12 ZINC000013681648 181878492 /nfs/dbraw/zinc/87/84/92/181878492.db2.gz OEDFYEIYDWHFCZ-UHFFFAOYSA-N 0 0 322.751 3.389 1 0 DGAFRN CC(C)n1cnc2c1c(=O)n(-c1ccccc1)c1ncccc21 ZINC000013731353 181886218 /nfs/dbraw/zinc/88/62/18/181886218.db2.gz IVFZIPBPUJKWHP-UHFFFAOYSA-N 0 0 304.353 3.316 1 0 DGAFRN O=S1(=O)c2ccccc2Oc2cccc(Br)c21 ZINC000013779764 181895247 /nfs/dbraw/zinc/89/52/47/181895247.db2.gz AQQYAUYICONMJU-UHFFFAOYSA-N 0 0 311.156 3.388 1 0 DGAFRN C[C@@H](Nc1c(=O)c(=O)c1Nc1cnc2ccccc2c1)C(C)(C)C ZINC000013806330 181899368 /nfs/dbraw/zinc/89/93/68/181899368.db2.gz FYDFFACQWXEWPA-BHLSVXHMSA-N 0 0 323.396 3.089 1 0 DGAFRN O[C@@]12c3ccccc3[C@@H]1[C@@H]1[C@@H](CCC13OCCO3)c1ccccc12 ZINC000017220289 182080304 /nfs/dbraw/zinc/08/03/04/182080304.db2.gz ZXAGLSDEXKRMRM-CWWINAKGSA-N 0 0 320.388 3.270 1 0 DGAFRN CCN(CCn1cccn1)Cc1nc(-c2ccc(C)o2)oc1C ZINC000019148779 182106209 /nfs/dbraw/zinc/10/62/09/182106209.db2.gz WFAIAZNBFZFSHU-UHFFFAOYSA-N 0 0 314.389 3.270 1 0 DGAFRN CCCCCc1cc(O)c2c(c1)oc(=O)c1c2CCN(C)C1 ZINC000019855585 182157397 /nfs/dbraw/zinc/15/73/97/182157397.db2.gz MEBZGLZNIWIHGA-UHFFFAOYSA-N 0 0 301.386 3.219 3 0 DGAFRN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)OC)cc1 ZINC000020515542 182226575 /nfs/dbraw/zinc/22/65/75/182226575.db2.gz HLUBJNJSZUUZSC-UHFFFAOYSA-N 0 0 309.369 3.386 1 0 DGAFRN C[C@]12CC[C@]3(C1)[C@H](C[C@@H](O)[C@H]1[C@](C)(CO)CCC[C@@]13C)C[C@H]2O ZINC000025991278 182427680 /nfs/dbraw/zinc/42/76/80/182427680.db2.gz KORCKZPWMRIZPD-BJOXDUDZSA-N 0 0 322.489 3.113 1 0 DGAFRN COc1ccc2[nH]c3c(c2c1)[C@H]1c2cccc(C=O)c2[C@@]1(O)CC3 ZINC000026576499 182446447 /nfs/dbraw/zinc/44/64/47/182446447.db2.gz SKFNWDVBTKOMFR-UXHICEINSA-N 0 0 319.360 3.268 1 0 DGAFRN COc1ccc2sc3c(c2c1)NC[C@@H](CC(C)C)NC3=O ZINC000026817923 182454513 /nfs/dbraw/zinc/45/45/13/182454513.db2.gz BLLBJTGXHFHGRH-SNVBAGLBSA-N 0 0 304.415 3.480 1 0 DGAFRN Cc1ccc(C(=O)Cn2c(=N)sc3c2CC[C@H](C)C3)cc1 ZINC000027558556 182477710 /nfs/dbraw/zinc/47/77/10/182477710.db2.gz ZHTJLKPJHKSQEN-LBPRGKRZSA-N 0 0 300.427 3.345 1 0 DGAFRN O=C(Nc1ccc(F)cc1)Nc1ncnc2nn3ccccc3c21 ZINC000028129406 182509548 /nfs/dbraw/zinc/50/95/48/182509548.db2.gz VXNUSJMWECFYQW-UHFFFAOYSA-N 0 0 322.303 3.061 1 0 DGAFRN CCCc1c(C)n2cc(C(=O)c3ccccc3)nc2nc1OC ZINC000028233986 182514786 /nfs/dbraw/zinc/51/47/86/182514786.db2.gz LLSNNPXNMNFIIX-UHFFFAOYSA-N 0 0 309.369 3.230 1 0 DGAFRN Cc1nc2ncnn2c2c1C[C@@H](C)N2Cc1ccccc1Cl ZINC000028005906 182503560 /nfs/dbraw/zinc/50/35/60/182503560.db2.gz JPFQXQBQJTYESS-SNVBAGLBSA-N 0 0 313.792 3.037 1 0 DGAFRN CCCn1c2[nH]c(-c3ccco3)nc2c(=O)n(CCC)c1=S ZINC000029549109 182570087 /nfs/dbraw/zinc/57/00/87/182570087.db2.gz XXFQMMBDEDVFDD-UHFFFAOYSA-N 0 0 318.402 3.336 1 0 DGAFRN COC(=O)c1c(C)nc2c(c3cc(Cl)ccc3n2C)c1N ZINC000029568439 182570861 /nfs/dbraw/zinc/57/08/61/182570861.db2.gz ALEBVMOZUPHZSV-UHFFFAOYSA-N 0 0 303.749 3.057 1 0 DGAFRN COCCOCC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2(C)C ZINC000039005159 183013488 /nfs/dbraw/zinc/01/34/88/183013488.db2.gz DSCRVKKUFCWSFI-UHFFFAOYSA-N 0 0 320.429 3.500 1 0 DGAFRN C[C@]12Oc3ccccc3C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000040402628 183061671 /nfs/dbraw/zinc/06/16/71/183061671.db2.gz TWTOBFWKWUSDSI-LJQANCHMSA-N 0 0 304.349 3.432 1 0 DGAFRN CNc1ccc(N2Cc3cc(OCCF)ccc3C2=O)cc1 ZINC000040413090 183062899 /nfs/dbraw/zinc/06/28/99/183062899.db2.gz VBSDRHBBULUKRP-UHFFFAOYSA-N 0 0 300.333 3.237 1 0 DGAFRN COc1cc(F)ccc1-c1ccc(C=C2SC(=O)NC2=O)o1 ZINC000040565002 183102896 /nfs/dbraw/zinc/10/28/96/183102896.db2.gz RYABMEHGNFHUDW-QPEQYQDCSA-N 0 0 319.313 3.418 1 0 DGAFRN CCc1ccc(CCNC(=O)c2ccc3cccnc3c2O)cc1 ZINC000040764419 183131916 /nfs/dbraw/zinc/13/19/16/183131916.db2.gz WTEJWTNFQGMZOU-UHFFFAOYSA-N 0 0 320.392 3.475 1 0 DGAFRN COc1ccc2c(c1)CCC1=C2[C@@](C)(O)C[C@]2(C)[C@@H](O)CC[C@@H]12 ZINC000040892828 183146575 /nfs/dbraw/zinc/14/65/75/183146575.db2.gz STKZJBXACPQEGV-ZULIPRJHSA-N 0 0 314.425 3.327 1 0 DGAFRN CC(C)[C@@H](Nc1ccc(Cl)cc1)C(=O)N1CCCCN1C#N ZINC000040951324 183150876 /nfs/dbraw/zinc/15/08/76/183150876.db2.gz BKMARWROUWRNAF-OAHLLOKOSA-N 0 0 320.824 3.097 1 0 DGAFRN Cc1ccc2[nH]c3c(c2c1)CCn1c(=O)c2ccccc2nc1-3 ZINC000040875631 183145114 /nfs/dbraw/zinc/14/51/14/183145114.db2.gz TYLBWQJTVPRKGT-UHFFFAOYSA-N 0 0 301.349 3.409 1 0 DGAFRN CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1 ZINC000043018205 183328440 /nfs/dbraw/zinc/32/84/40/183328440.db2.gz ZVKAHSJLBMFNSZ-UHFFFAOYSA-N 0 0 321.336 3.180 1 0 DGAFRN Cc1c(Sc2c(C)cccc2C)oc2nc(N)nc(N)c12 ZINC000045393270 183504220 /nfs/dbraw/zinc/50/42/20/183504220.db2.gz QYJAHVUNGITYRR-UHFFFAOYSA-N 0 0 300.387 3.464 1 0 DGAFRN COc1cccc(-c2cc(=O)c3cc(NC(C)=O)ccc3o2)c1 ZINC000058568550 184122751 /nfs/dbraw/zinc/12/27/51/184122751.db2.gz NZYQNMSYZKEXHJ-UHFFFAOYSA-N 0 0 309.321 3.427 1 0 DGAFRN CCOC(=O)[C@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061903676 184193705 /nfs/dbraw/zinc/19/37/05/184193705.db2.gz CQVQBHSYLNCNLC-MRXNPFEDSA-N 0 0 309.793 3.145 3 0 DGAFRN CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(C)c(C)c1 ZINC000061904293 184194068 /nfs/dbraw/zinc/19/40/68/184194068.db2.gz HQGMLZUPAOPBSR-SFHVURJKSA-N 0 0 302.418 3.423 3 0 DGAFRN Cn1nccc1-c1ccc(C(=O)NCc2ccco2)c2occc21 ZINC000061907119 184194778 /nfs/dbraw/zinc/19/47/78/184194778.db2.gz YWDPYFZOYJNKJY-UHFFFAOYSA-N 0 0 321.336 3.356 3 0 DGAFRN COc1ccccc1[C@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 ZINC000064379358 184295858 /nfs/dbraw/zinc/29/58/58/184295858.db2.gz FBBGOAHRHCYAPA-CQSZACIVSA-N 0 0 314.337 3.430 1 0 DGAFRN COc1cc(-c2cc([C@@H](C)O)ccc2OC)cc(OC)c1O ZINC000064585764 184301053 /nfs/dbraw/zinc/30/10/53/184301053.db2.gz NBOWNHVLZDCSCC-SNVBAGLBSA-N 0 0 304.342 3.138 1 0 DGAFRN Fc1ccccc1Cn1cnc2c1ncnc2N1CCCCC1 ZINC000013762282 134516226 /nfs/dbraw/zinc/51/62/26/134516226.db2.gz YDLFMGPSHGHVLX-UHFFFAOYSA-N 0 0 311.364 3.004 1 0 DGAFRN Clc1cccc(-c2cnc(N3CCOCC3)cn2)c1Cl ZINC000045350850 134742215 /nfs/dbraw/zinc/74/22/15/134742215.db2.gz WOBFNHTUMKZOSG-UHFFFAOYSA-N 0 0 310.184 3.287 1 0 DGAFRN CCc1ccc(CN(C)Cc2nc(-c3cccs3)no2)nc1 ZINC000012436215 431510936 /nfs/dbraw/zinc/51/09/36/431510936.db2.gz UHTPYQZEPUZANO-UHFFFAOYSA-N 0 0 314.414 3.388 1 0 DGAFRN COC(=O)[C@@H](NC(=O)[C@H](C)c1ccc(CC(C)C)cc1)C(C)C ZINC000034528835 431819439 /nfs/dbraw/zinc/81/94/39/431819439.db2.gz IIHNAGJKVGRYPC-PBHICJAKSA-N 0 0 319.445 3.302 1 0 DGAFRN COc1ccc2c(c1)CC[C@H]1[C@H]3CC(=O)[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000011612560 295260322 /nfs/dbraw/zinc/26/03/22/295260322.db2.gz HYTUXCLDWATLGA-SGFSRKTBSA-N 0 0 300.398 3.091 1 0 DGAFRN COc1cc(O)cc(/C=C\c2ccc(OC)c(O)c2OC)c1 ZINC000095914339 560055768 /nfs/dbraw/zinc/05/57/68/560055768.db2.gz DYWOJJOORBDHBP-PLNGDYQASA-N 0 0 302.326 3.294 1 0 biogenic,in-vitro DGAFRN O=C1NC(=S)N(Cc2ccccc2)C1=Cc1ccc(F)cc1 ZINC000095555871 185379719 /nfs/dbraw/zinc/37/97/19/185379719.db2.gz GMKIIKONLUFGNH-GDNBJRDFSA-N 0 0 312.369 3.084 1 0 DGAFRN CCN1c2ccccc2C(=O)N(CC2CCCCC2)CC1=O ZINC000095558817 185379939 /nfs/dbraw/zinc/37/99/39/185379939.db2.gz MXNHADRUZNYLEA-UHFFFAOYSA-N 0 0 300.402 3.076 1 0 DGAFRN O=C(n1nnc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000095574877 185380438 /nfs/dbraw/zinc/38/04/38/185380438.db2.gz RKPRATVIBISBFW-UHFFFAOYSA-N 0 0 320.396 3.354 1 0 DGAFRN O=C1O[C@@]2(Oc3c(ccc4ccccc34)C2=O)c2ccccc21 ZINC000095586477 185381644 /nfs/dbraw/zinc/38/16/44/185381644.db2.gz PYOZRJLJBNCTJF-IBGZPJMESA-N 0 0 302.285 3.438 1 0 DGAFRN CCCN1c2ccccc2C(=O)N(CC2CCCCC2)CC1=O ZINC000095607143 185382757 /nfs/dbraw/zinc/38/27/57/185382757.db2.gz YOYNPVUJFPBCDZ-UHFFFAOYSA-N 0 0 314.429 3.466 1 0 DGAFRN Nn1c(SCc2ccccc2)nnc1-c1c[nH]c2ccccc12 ZINC000096905655 185390789 /nfs/dbraw/zinc/39/07/89/185390789.db2.gz YTVNYDULWIOBMS-UHFFFAOYSA-N 0 0 321.409 3.433 1 0 DGAFRN COc1ccc(-c2c3c(nc4nc[nH]c(=O)c42)[C@@H](C)CCC3)cc1 ZINC000096906385 185390800 /nfs/dbraw/zinc/39/08/00/185390800.db2.gz TYMJSVLYLYUTQY-NSHDSACASA-N 0 0 321.380 3.434 1 0 DGAFRN Fc1ccccc1Cc1nnc2sc(-c3ccoc3)nn12 ZINC000096905671 185390803 /nfs/dbraw/zinc/39/08/03/185390803.db2.gz GTTCAAURUZPYCT-UHFFFAOYSA-N 0 0 300.318 3.176 1 0 DGAFRN Oc1ccc(CC[C@H]2C[C@@H](O)C[C@@H](c3ccc(O)cc3)O2)cc1 ZINC000096908759 185390911 /nfs/dbraw/zinc/39/09/11/185390911.db2.gz MRIKNBIACKXKEJ-QYZOEREBSA-N 0 0 314.381 3.312 1 0 DGAFRN OCc1cc2c(o1)c1ccccc1n2Cc1ccc(CO)cc1 ZINC000096917716 185391430 /nfs/dbraw/zinc/39/14/30/185391430.db2.gz WCIMVJKYQNDCNI-UHFFFAOYSA-N 0 0 307.349 3.420 1 0 DGAFRN COc1cc(CCCc2c(OC)cc(O)cc2OC)ccc1O ZINC000096921298 185391657 /nfs/dbraw/zinc/39/16/57/185391657.db2.gz VNYLRVRSDVFOKE-UHFFFAOYSA-N 0 0 318.369 3.299 1 0 DGAFRN Cc1nc2ccccc2n1CCCCOc1cccc(C(N)=O)c1 ZINC000096923072 185391685 /nfs/dbraw/zinc/39/16/85/185391685.db2.gz VXBQLZHLQQOYJA-UHFFFAOYSA-N 0 0 323.396 3.303 1 0 DGAFRN Nc1nc(=S)[nH]c2c1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000096935383 185392676 /nfs/dbraw/zinc/39/26/76/185392676.db2.gz CMMUUUMXJVVBDO-JTQLQIEISA-N 0 0 313.386 3.130 1 0 DGAFRN COc1cc2ccn(-c3ccc(F)c(F)c3)c(=O)c2c(OC)c1 ZINC000096938017 185393110 /nfs/dbraw/zinc/39/31/10/185393110.db2.gz GEUPITVSARQVGG-UHFFFAOYSA-N 0 0 317.291 3.286 1 0 DGAFRN CCN(C(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCCCC3)C1CC1 ZINC000169328908 197742862 /nfs/dbraw/zinc/74/28/62/197742862.db2.gz HUAOETMLPQECIF-UHFFFAOYSA-N 0 0 324.424 3.422 1 0 DGAFRN COc1ccc(CCn2ccc3ccc(OC)c(=O)c-3c2)cc1 ZINC000102841542 185423204 /nfs/dbraw/zinc/42/32/04/185423204.db2.gz XCRBCAHDCFFWTL-UHFFFAOYSA-O 0 0 310.373 3.093 1 0 DGAFRN Cc1ccccc1[C@@H](O)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000103284495 185444067 /nfs/dbraw/zinc/44/40/67/185444067.db2.gz TUPJHXUXMMXCQV-RBUKOAKNSA-N 0 0 309.409 3.467 1 0 DGAFRN CCCc1nc2cc(S(=O)(=O)CC)ccc2n1CC1CC1 ZINC000072109231 191038101 /nfs/dbraw/zinc/03/81/01/191038101.db2.gz KIAQAEDOVWXNGG-UHFFFAOYSA-N 0 0 306.431 3.192 1 0 DGAFRN CC[C@H](C)CN1C(=O)N[C@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000072141032 191049042 /nfs/dbraw/zinc/04/90/42/191049042.db2.gz GPCDYXOQEGLDGD-BLLLJJGKSA-N 0 0 316.401 3.246 1 0 DGAFRN O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1C1CCCC1 ZINC000139094023 186020493 /nfs/dbraw/zinc/02/04/93/186020493.db2.gz QYWXJQYHIYJNJS-UHFFFAOYSA-N 0 0 323.352 3.031 1 0 DGAFRN COc1ccccc1NC(=O)c1cnc2[nH]c(C(C)=O)cc2c1 ZINC000072323893 191121836 /nfs/dbraw/zinc/12/18/36/191121836.db2.gz OFCMNFMNLDNHFB-UHFFFAOYSA-N 0 0 309.325 3.026 2 0 DGAFRN CCCCn1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccnc21 ZINC000072322808 191122180 /nfs/dbraw/zinc/12/21/80/191122180.db2.gz MDBZDDXPDWOLOC-OKILXGFUSA-N 0 0 315.417 3.086 2 0 DGAFRN COc1ccc(/C=C/Cc2ccc(O)c(OC)c2OC)cc1O ZINC000049033278 290917624 /nfs/dbraw/zinc/91/76/24/290917624.db2.gz LNXCGMDIRKMWRL-SNAWJCMRSA-N 0 0 316.353 3.380 1 0 biogenic,in-vitro DGAFRN COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1 ZINC000000025226 180670785 /nfs/dbraw/zinc/67/07/85/180670785.db2.gz MUQOTEHRXIKHKR-UHFFFAOYSA-N 0 0 322.408 3.446 1 0 in-vitro DGAFRN CNc1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1 ZINC000002014414 180906141 /nfs/dbraw/zinc/90/61/41/180906141.db2.gz IJSSHYXWJULZKA-UHFFFAOYSA-N 0 0 303.580 3.407 1 0 DGAFRN C[C@H](O)Cc1nsc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000002461944 180925272 /nfs/dbraw/zinc/92/52/72/180925272.db2.gz JGGDBOJWQMFEJF-JTQLQIEISA-N 0 0 319.430 3.011 1 0 DGAFRN Cc1ccsc1C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000003297820 181001637 /nfs/dbraw/zinc/00/16/37/181001637.db2.gz CLOCWBJYHSVCQD-UHTWSYAYSA-N 0 0 309.431 3.154 1 0 DGAFRN COC(=O)[C@@]1(Cc2ccccc2)CC(=O)OC12CCCCC2 ZINC000073170138 191288306 /nfs/dbraw/zinc/28/83/06/191288306.db2.gz GEONBHKWQXUCCZ-QGZVFWFLSA-N 0 0 302.370 3.038 1 0 DGAFRN Cc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1 ZINC000073198784 191291416 /nfs/dbraw/zinc/29/14/16/191291416.db2.gz SKPDQMSNDPLXPE-UHFFFAOYSA-N 0 0 323.327 3.318 1 0 DGAFRN CC(=O)NCCNc1ncnc2ccc(-c3ccccc3C)cc21 ZINC000004264699 181089749 /nfs/dbraw/zinc/08/97/49/181089749.db2.gz BMDZPFHYHLKQTD-UHFFFAOYSA-N 0 0 320.396 3.153 1 0 DGAFRN O=C(N[C@@H](CO)c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000073280757 191300473 /nfs/dbraw/zinc/30/04/73/191300473.db2.gz HNXJWWRRSGDVIW-IBGZPJMESA-N 0 0 318.376 3.212 1 0 DGAFRN COc1cc2ncnc(N[C@H]3C[C@@H]3c3ccccc3)c2cc1O ZINC000004617809 181129664 /nfs/dbraw/zinc/12/96/64/181129664.db2.gz CQIGCEDRWOCRQD-DOMZBBRYSA-N 0 0 307.353 3.312 1 0 DGAFRN O=C1c2ccc(NCCCO)cc2-c2nccc3cccc1c32 ZINC000073311224 191303974 /nfs/dbraw/zinc/30/39/74/191303974.db2.gz NTMYINMRVGBDLC-UHFFFAOYSA-N 0 0 304.349 3.241 1 0 DGAFRN Cc1ccc2nc(NCCNC(=O)c3ccncc3)c(C)cc2c1 ZINC000004886194 181167677 /nfs/dbraw/zinc/16/76/77/181167677.db2.gz HYNCAMOVAMNPOD-UHFFFAOYSA-N 0 0 320.396 3.089 3 0 DGAFRN COc1cccc(-c2cc(=O)c3cc(NC(C)=O)ccc3[nH]2)c1 ZINC000005498734 181249767 /nfs/dbraw/zinc/24/97/67/181249767.db2.gz XMMCHNWXMDDRGJ-UHFFFAOYSA-N 0 0 308.337 3.162 3 0 DGAFRN CCN1c2ncccc2C(=O)N(C)c2ccc(-n3cccc3)nc21 ZINC000005842029 181288140 /nfs/dbraw/zinc/28/81/40/181288140.db2.gz OYXYUHYMXKMISB-UHFFFAOYSA-N 0 0 319.368 3.015 1 0 DGAFRN CCN1c2ncccc2C(=O)Nc2c(C)cc(SC)nc21 ZINC000005842127 181288121 /nfs/dbraw/zinc/28/81/21/181288121.db2.gz MEDCPPNEGZYFET-UHFFFAOYSA-N 0 0 300.387 3.231 1 0 DGAFRN COc1ccc2c(c1)CC[C@H]1[C@H]3CC(=O)[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000195356968 201382994 /nfs/dbraw/zinc/38/29/94/201382994.db2.gz HYTUXCLDWATLGA-CFRSGVNKSA-N 0 0 300.398 3.091 1 0 DGAFRN CC(=O)Nc1ccc2c(c1)C(=Cc1ccc3c[nH]nc3c1)C(=O)N2 ZINC000096273705 193608910 /nfs/dbraw/zinc/60/89/10/193608910.db2.gz UXFLFGRXPDAOOG-GIDUJCDVSA-N 0 0 318.336 3.014 1 0 DGAFRN CCc1cccc(NC(=O)c2sc3[nH]cnc(=O)c3c2C)c1 ZINC000008600593 181568010 /nfs/dbraw/zinc/56/80/10/181568010.db2.gz BDQJVUIQYASUDJ-UHFFFAOYSA-N 0 0 313.382 3.108 1 0 DGAFRN COC(=O)C[C@H]1c2ccccc2C=C(C2CC2)N1C(=O)OC ZINC000013815284 181901201 /nfs/dbraw/zinc/90/12/01/181901201.db2.gz CMJQBSJMPOLQKS-HNNXBMFYSA-N 0 0 301.342 3.124 1 0 DGAFRN CC(C)CN1C[C@H](c2nc(-c3ccc(F)cc3)c[nH]2)CC1=O ZINC000019791258 182148895 /nfs/dbraw/zinc/14/88/95/182148895.db2.gz NHOFIOQXLHJMSM-CYBMUJFWSA-N 0 0 301.365 3.188 1 0 DGAFRN O=C(NCc1noc2ccccc12)Nc1cccnc1Cl ZINC000020516725 182226255 /nfs/dbraw/zinc/22/62/55/182226255.db2.gz DVASRYSHNYHASG-UHFFFAOYSA-N 0 0 302.721 3.198 1 0 DGAFRN CN(C)C(=O)Oc1ccc2cc(Cc3ccccc3)c(=O)oc2c1 ZINC000026476698 182442687 /nfs/dbraw/zinc/44/26/87/182442687.db2.gz QUTVCSVYRMUFLO-UHFFFAOYSA-N 0 0 323.348 3.444 1 0 DGAFRN COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1 ZINC000028566180 182528440 /nfs/dbraw/zinc/52/84/40/182528440.db2.gz JHCCMVQEOACCNG-UHFFFAOYSA-N 0 0 312.321 3.486 1 0 DGAFRN CC1=CC=C[C@@]2(C)CN(C)N(C(=S)Nc3ccccc3)N=C12 ZINC000028713506 182536793 /nfs/dbraw/zinc/53/67/93/182536793.db2.gz ZZZBGVDXTHBYGZ-KRWDZBQOSA-N 0 0 312.442 3.424 1 0 DGAFRN O=C1[C@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000029127071 182552715 /nfs/dbraw/zinc/55/27/15/182552715.db2.gz AZEYWBIKLUFKOJ-XXILOJSOSA-N 0 0 310.275 3.025 1 0 DGAFRN COc1cc2cccnc2c(NCCCC2(C)OCCO2)c1 ZINC000029308706 182559393 /nfs/dbraw/zinc/55/93/93/182559393.db2.gz SPEIIBIXWAIWBH-UHFFFAOYSA-N 0 0 302.374 3.199 1 0 DGAFRN O=c1cc(-c2ccc3ccccc3c2)oc(N2CCOCC2)c1 ZINC000101082116 193807419 /nfs/dbraw/zinc/80/74/19/193807419.db2.gz FNMVAZNGFWLDOQ-UHFFFAOYSA-N 0 0 307.349 3.297 1 0 in-vivo DGAFRN O=c1cc(-c2csc3ccccc23)oc(N2CCOCC2)c1 ZINC000101122251 193808571 /nfs/dbraw/zinc/80/85/71/193808571.db2.gz OHDSUVFBAQUPBM-UHFFFAOYSA-N 0 0 313.378 3.358 1 0 DGAFRN CCCCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1 ZINC000033825067 182723327 /nfs/dbraw/zinc/72/33/27/182723327.db2.gz OGBLRSUWNPZVTI-UHFFFAOYSA-N 0 0 301.390 3.143 1 0 DGAFRN CN(C)c1ccc(N2Cc3cc(OCCF)ccc3C2=O)cc1 ZINC000040411976 183063117 /nfs/dbraw/zinc/06/31/17/183063117.db2.gz ZBPRHBSGYDHNJC-UHFFFAOYSA-N 0 0 314.360 3.261 1 0 DGAFRN COc1ccc2nc(NC(=O)NOc3ccccc3)sc2c1 ZINC000040567018 183103894 /nfs/dbraw/zinc/10/38/94/183103894.db2.gz JOBCMOGOMIOXLK-UHFFFAOYSA-N 0 0 315.354 3.420 1 0 DGAFRN CC(=O)c1c2c(ccc1O)O[C@]1(C2)[C@@H](C)CC[C@@H](O)C1(C)C ZINC000040568618 183104031 /nfs/dbraw/zinc/10/40/31/183104031.db2.gz OZFBDEHVMJHKST-WQFPPAFTSA-N 0 0 304.386 3.086 1 0 DGAFRN CSc1nc(N)c(C)c(C(=O)c2cccc3ccccc32)n1 ZINC000040953398 183150768 /nfs/dbraw/zinc/15/07/68/183150768.db2.gz LBWVMDTXVMXUPI-UHFFFAOYSA-N 0 0 309.394 3.473 1 0 DGAFRN CC(=O)N[C@H](CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000040980485 183154368 /nfs/dbraw/zinc/15/43/68/183154368.db2.gz HLBNKZQUWFKBGQ-MRXNPFEDSA-N 0 0 303.308 3.415 1 0 DGAFRN O=C(C(=O)N1CCc2cc(F)ccc21)c1c[nH]c2ccccc12 ZINC000042966212 183324154 /nfs/dbraw/zinc/32/41/54/183324154.db2.gz ALLRODMPOJXNSZ-UHFFFAOYSA-N 0 0 308.312 3.079 1 0 DGAFRN Nc1nc(N)c2c3ccn(CCCC(F)(F)F)c3ccc2n1 ZINC000045314616 183497266 /nfs/dbraw/zinc/49/72/66/183497266.db2.gz VGJYVUOURFLTHH-UHFFFAOYSA-N 0 0 309.295 3.091 1 0 DGAFRN c1n[nH]cc1-c1cn2c(cn1)ncc2-c1c[nH]c2ccccc12 ZINC000053295725 183897697 /nfs/dbraw/zinc/89/76/97/183897697.db2.gz ZCWUDZOATSSBCE-UHFFFAOYSA-N 0 0 300.325 3.268 1 0 in-vitro DGAFRN CC(=O)Nc1ccc2oc(-c3ccccc3F)c(O)c(=O)c2c1 ZINC000058576599 184122805 /nfs/dbraw/zinc/12/28/05/184122805.db2.gz LJWUYLROEFKHFI-UHFFFAOYSA-N 0 0 313.284 3.263 1 0 DGAFRN CC(=O)Nc1cccc(-c2ccc([C@@](C)(O)c3c[nH]cn3)cc2)c1 ZINC000059972610 184143142 /nfs/dbraw/zinc/14/31/42/184143142.db2.gz ZKDHBAXMHDLJPU-LJQANCHMSA-N 0 0 321.380 3.291 1 0 DGAFRN CCOC(=O)[C@]1(C)CCCCCN1C(=O)/C=C/c1ccccc1 ZINC000061897115 184193806 /nfs/dbraw/zinc/19/38/06/184193806.db2.gz DXRDTSZRJFRARU-HYSAVQALSA-N 0 0 315.413 3.424 3 0 DGAFRN COc1ccc(-c2csc([C@@](C)(O)c3cccnc3)n2)cc1 ZINC000061904352 184194084 /nfs/dbraw/zinc/19/40/84/184194084.db2.gz WWMQARIANWPNQS-KRWDZBQOSA-N 0 0 312.394 3.470 3 0 DGAFRN Cc1cc(F)cc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)c1 ZINC000061904417 184194315 /nfs/dbraw/zinc/19/43/15/184194315.db2.gz RLJQTDYSDZEJMX-UHFFFAOYSA-N 0 0 309.344 3.454 3 0 DGAFRN O[C@@H](c1nc(-c2ccc3c(c2)OCO3)cs1)c1cccnc1 ZINC000061928476 184196210 /nfs/dbraw/zinc/19/62/10/184196210.db2.gz BNZBZGLLEFPMRW-OAHLLOKOSA-N 0 0 312.350 3.016 3 0 DGAFRN COc1ccc(CN2Cc3cnnn3-c3ccccc3[C@@H]2C)cc1 ZINC000061943110 184198224 /nfs/dbraw/zinc/19/82/24/184198224.db2.gz XLQBDOTUBYHNRZ-AWEZNQCLSA-N 0 0 320.396 3.353 3 0 DGAFRN CCOC(=O)CCc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1 ZINC000066258779 184399305 /nfs/dbraw/zinc/39/93/05/184399305.db2.gz YSZCXSBEOCHLKO-UHFFFAOYSA-N 0 0 322.364 3.086 1 0 DGAFRN Cc1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1-c1ccccc1 ZINC000072111999 184930968 /nfs/dbraw/zinc/93/09/68/184930968.db2.gz QLVAIVURZPOLSK-UHFFFAOYSA-N 0 0 320.392 3.340 1 0 DGAFRN COC[C@H](Cc1ccccc1)N1Sc2ccccc2[S@]1=O ZINC000135823891 196504713 /nfs/dbraw/zinc/50/47/13/196504713.db2.gz LKPVCZVAQHXEMY-QKKBWIMNSA-N 0 0 319.451 3.290 1 0 DGAFRN COc1ccc2c(c1)OC=C(c1ccc(OC)c(OC)c1O)C2 ZINC000033832013 560088529 /nfs/dbraw/zinc/08/85/29/560088529.db2.gz POUQOQOXMNNBBR-UHFFFAOYSA-N 0 0 314.337 3.394 1 0 biogenic,in-vitro DGAFRN COc1cc(O)c(CCCc2cc3c(cc2O)OCO3)cc1C ZINC000013335277 560214464 /nfs/dbraw/zinc/21/44/64/560214464.db2.gz FJKDKGIGQHDXSZ-UHFFFAOYSA-N 0 0 316.353 3.319 1 0 biogenic,in-vitro DGAFRN CC(C)=CCc1cc2c(c(C=O)c1O)CC[C@@H](/C=C/[C@@H](C)O)O2 ZINC000013385299 560216183 /nfs/dbraw/zinc/21/61/83/560216183.db2.gz XWZLFKLXNARMNW-RLWBPUTGSA-N 0 0 316.397 3.344 1 0 in-vitro DGAFRN CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cc[nH]c3)nc21 ZINC000000020397 581095816 /nfs/dbraw/zinc/09/58/16/581095816.db2.gz GNMFKYCBSKMWKN-UHFFFAOYSA-N 0 0 319.368 3.220 1 0 DGAFRN Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)o1 ZINC000036384449 661579904 /nfs/dbraw/zinc/57/99/04/661579904.db2.gz JOEJWECAZRLOBJ-AXPYJTKXSA-N 0 0 319.401 3.228 3 0 DGAFRN NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000067776743 1195670004 /nfs/dbraw/zinc/67/00/04/1195670004.db2.gz FBUGXPOBPWTIOB-QWHCGFSZSA-N 0 0 314.772 3.181 1 0 DGAFRN Cn1c(N)nc([C@H]2C[C@H]2c2cccc(-c3ccccc3)c2)cc1=O ZINC000095552702 185379215 /nfs/dbraw/zinc/37/92/15/185379215.db2.gz IPEYSHXKDLIENI-IRXDYDNUSA-N 0 0 317.392 3.301 1 0 DGAFRN C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CCN1C ZINC000095552834 185379472 /nfs/dbraw/zinc/37/94/72/185379472.db2.gz IGHVFLGMYLDPDV-PXNSSMCTSA-N 0 0 322.452 3.175 1 0 DGAFRN COc1ccc(-n2cc3nc(-c4ccccc4)nc(N)c3n2)cc1 ZINC000095585326 185381476 /nfs/dbraw/zinc/38/14/76/185381476.db2.gz YXEMTTSUPLSCHV-UHFFFAOYSA-N 0 0 317.352 3.073 1 0 DGAFRN CC(C)n1nc(Cc2ccc(F)c(Cl)c2)c2c1ncnc2N ZINC000095585807 185381835 /nfs/dbraw/zinc/38/18/35/185381835.db2.gz JUPVXJZOWLWBSN-UHFFFAOYSA-N 0 0 319.771 3.373 1 0 DGAFRN O=C1c2cc(OC(F)(F)F)ccc2N2Cc3cnccc3N=C12 ZINC000095603325 185382466 /nfs/dbraw/zinc/38/24/66/185382466.db2.gz MDMDJVGZXPLGRT-UHFFFAOYSA-N 0 0 319.242 3.227 1 0 DGAFRN Cc1nnc(SCc2cc(=O)c3cc(Cl)ccc3o2)o1 ZINC000096910576 185390882 /nfs/dbraw/zinc/39/08/82/185390882.db2.gz YZXZGBMSXVIOLU-UHFFFAOYSA-N 0 0 308.746 3.430 1 0 DGAFRN CCCCn1c(C)c(C)cc(C(=O)NCc2ccccc2)c1=O ZINC000096928369 185392389 /nfs/dbraw/zinc/39/23/89/185392389.db2.gz KKHOPLIFMNQYLV-UHFFFAOYSA-N 0 0 312.413 3.195 1 0 DGAFRN Cc1ccnc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1 ZINC000096938944 185393081 /nfs/dbraw/zinc/39/30/81/185393081.db2.gz QGKMOFDGJLSFEZ-UHFFFAOYSA-N 0 0 324.315 3.364 1 0 DGAFRN C[NH+](C)CCc1cc(Br)c([O-])c(Br)c1 ZINC000090502501 185299544 /nfs/dbraw/zinc/29/95/44/185299544.db2.gz QIQKPWCVGIQIBB-UHFFFAOYSA-N 0 0 323.028 3.021 1 0 DGAFRN O=C1O/C(=C\c2ccc3c(c2)OCO3)C=C1Cc1ccccc1 ZINC000103171133 185436711 /nfs/dbraw/zinc/43/67/11/185436711.db2.gz LLMGVXJNRXPWHF-SXGWCWSVSA-N 0 0 306.317 3.482 1 0 DGAFRN CCO[C@@H]1Sc2nnc(CC)n2N=C1c1ccc(Cl)cc1 ZINC000103174210 185436932 /nfs/dbraw/zinc/43/69/32/185436932.db2.gz HOIXCRGQEBBZJL-CYBMUJFWSA-N 0 0 322.821 3.215 1 0 DGAFRN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](C2CCCCC2)N1 ZINC000070463422 190899698 /nfs/dbraw/zinc/89/96/98/190899698.db2.gz KOLPHMYBGCHLFW-SJORKVTESA-N 0 0 312.413 3.477 1 0 DGAFRN O=C(NC1CC1)c1ccc(-n2cnc3c2cccc3F)s1 ZINC000084597091 192443552 /nfs/dbraw/zinc/44/35/52/192443552.db2.gz SBJCGTLIDJCMRS-UHFFFAOYSA-N 0 0 301.346 3.118 1 0 DGAFRN CCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2C1CC1 ZINC000072109176 191037717 /nfs/dbraw/zinc/03/77/17/191037717.db2.gz PWTNPJBOPPMGOP-UHFFFAOYSA-N 0 0 306.431 3.462 1 0 DGAFRN Clc1ncnc2c1ncn2C[C@@H]1COc2ccccc2S1 ZINC000072179457 191071610 /nfs/dbraw/zinc/07/16/10/191071610.db2.gz DEPFPAIKLFSLOM-SECBINFHSA-N 0 0 318.789 3.033 1 0 DGAFRN Clc1ccc(Oc2nc3ccsc3c3nnnn32)cc1 ZINC000084688595 192455451 /nfs/dbraw/zinc/45/54/51/192455451.db2.gz BZEDQSPILVRVNW-UHFFFAOYSA-N 0 0 303.734 3.180 1 0 DGAFRN COc1ccc(C)cc1NC(=O)c1cnc2[nH]c(C(C)=O)cc2c1 ZINC000072322861 191122191 /nfs/dbraw/zinc/12/21/91/191122191.db2.gz LOADKTJBFOJRGC-UHFFFAOYSA-N 0 0 323.352 3.335 2 0 DGAFRN COc1cccc2c1C(=O)c1nccc3cc4c(c-2c31)OCO4 ZINC000001592858 180876182 /nfs/dbraw/zinc/87/61/82/180876182.db2.gz HPWGRUBQQWPQKG-UHFFFAOYSA-N 0 0 305.289 3.184 1 0 DGAFRN [O-][n+]1onc2ccc(/C=C\c3ccc(Br)cc3)cc21 ZINC000073022511 191268940 /nfs/dbraw/zinc/26/89/40/191268940.db2.gz AKFRUGHBTHOKBX-UPHRSURJSA-N 0 0 317.142 3.394 1 0 DGAFRN COc1cccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)c1 ZINC000073164885 191287245 /nfs/dbraw/zinc/28/72/45/191287245.db2.gz QEBKBHKPINJXNI-JYRVWZFOSA-N 0 0 300.339 3.094 1 0 DGAFRN COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@@H]1c1ccccc1 ZINC000073164463 191287077 /nfs/dbraw/zinc/28/70/77/191287077.db2.gz UPUZVXGBHBLVLR-IEBWSBKVSA-N 0 0 310.349 3.077 1 0 DGAFRN Cc1nc(-c2nc(Cc3ccccc3F)c3ccccn32)n[nH]1 ZINC000073196265 191290565 /nfs/dbraw/zinc/29/05/65/191290565.db2.gz JRSRLYYHYQEOGA-UHFFFAOYSA-N 0 0 307.332 3.158 1 0 DGAFRN CO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000073200128 191291215 /nfs/dbraw/zinc/29/12/15/191291215.db2.gz BTSDGBUQPKYIQS-WJDWOHSUSA-N 0 0 301.317 3.460 1 0 DGAFRN Cc1nc2ccccc2c2oc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000004057713 181067294 /nfs/dbraw/zinc/06/72/94/181067294.db2.gz SMUCSSMRTZVOKZ-LBPRGKRZSA-N 0 0 310.353 3.198 3 0 DGAFRN COCCc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1 ZINC000073314900 191303989 /nfs/dbraw/zinc/30/39/89/191303989.db2.gz FNZOOPLCYCPKJW-UHFFFAOYSA-N 0 0 317.780 3.019 1 0 DGAFRN O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)=N1 ZINC000073351303 191308297 /nfs/dbraw/zinc/30/82/97/191308297.db2.gz ZJSPQEYXVVTWGL-MRXNPFEDSA-N 0 0 321.405 3.467 1 0 DGAFRN COc1ccccc1[C@@H]1NC(=O)c2[nH]nc(-c3ccc(C)cc3)c21 ZINC000004928939 181174275 /nfs/dbraw/zinc/17/42/75/181174275.db2.gz ISAHKBJADOTTIK-KRWDZBQOSA-N 0 0 319.364 3.227 1 0 DGAFRN C[C@H]1[C@H](NC(=O)Cn2cc3c(n2)CCCCC3)CCC[C@@H]1C ZINC000005148790 181209324 /nfs/dbraw/zinc/20/93/24/181209324.db2.gz COFHAMQZCYUKLI-SQWLQELKSA-N 0 0 303.450 3.093 1 0 DGAFRN CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13 ZINC000005410528 181240387 /nfs/dbraw/zinc/24/03/87/181240387.db2.gz DYJDPNXKUMPXEJ-DZLVSBGCSA-N 0 0 316.397 3.172 1 0 biogenic,in-vitro DGAFRN CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(F)cc(F)c1 ZINC000005886267 181292983 /nfs/dbraw/zinc/29/29/83/181292983.db2.gz NJYGNZPUWQWRQI-UHFFFAOYSA-N 0 0 306.356 3.181 1 0 DGAFRN CCc1ccc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)c1 ZINC000005887564 181293091 /nfs/dbraw/zinc/29/30/91/181293091.db2.gz CWLVXHURNMJUMC-UHFFFAOYSA-N 0 0 300.402 3.429 1 0 DGAFRN CCOC(=O)[C@H]1[C@H](O)C[C@@H]2c3ccccc3-c3ccccc3[C@@H]12 ZINC000005979882 181303672 /nfs/dbraw/zinc/30/36/72/181303672.db2.gz XBBKGMWUFSFRON-MKXGPGLRSA-N 0 0 308.377 3.478 1 0 DGAFRN C/C=C1\CN2CCc3c4ccccc4[nH]c3[C@H]2C[C@H]1C(=O)OC ZINC000195516786 201396985 /nfs/dbraw/zinc/39/69/85/201396985.db2.gz MRTUFEKUTABFFB-DVLBCXCXSA-N 0 0 310.397 3.206 1 0 DGAFRN COc1cccc2occ(/C=C/[C@H](O)c3ccc(O)cc3)c(=O)c12 ZINC000095596805 193447815 /nfs/dbraw/zinc/44/78/15/193447815.db2.gz VVRVSSSNKLMIDS-VSGCLNPGSA-N 0 0 324.332 3.254 1 0 DGAFRN COc1ccc2c(c1)n(Cc1ccccc1)c(C)c2CC(N)=O ZINC000013446064 181850398 /nfs/dbraw/zinc/85/03/98/181850398.db2.gz PYIAYZFWAVQVCZ-UHFFFAOYSA-N 0 0 308.381 3.034 1 0 DGAFRN CCC(=O)NC[C@@H]1Cc2ccccc2Cc2ccc(OC)cc21 ZINC000013581646 181864741 /nfs/dbraw/zinc/86/47/41/181864741.db2.gz FRJHLFANQUOSEH-KRWDZBQOSA-N 0 0 309.409 3.452 1 0 in-vivo DGAFRN COC(=O)[C@@H]1[C@H](OCc2ccccc2)[C@@H]2CC[C@@]1(OC)C=C2C ZINC000017176300 182078567 /nfs/dbraw/zinc/07/85/67/182078567.db2.gz ULJICKZWPMDBRR-SFNKJDCFSA-N 0 0 316.397 3.116 1 0 DGAFRN CCc1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 ZINC000026187955 182433040 /nfs/dbraw/zinc/43/30/40/182433040.db2.gz GQGDFWJVWHBRBX-UHFFFAOYSA-N 0 0 317.396 3.360 1 0 DGAFRN CSCCn1c(Cn2nnc3ccccc32)nc2ccccc21 ZINC000026262933 182435197 /nfs/dbraw/zinc/43/51/97/182435197.db2.gz QDSUTFQETNYJMN-UHFFFAOYSA-N 0 0 323.425 3.192 1 0 DGAFRN COc1ccc2c(c1)c1c(n2C)[C@@]2(O)c3ccccc3[C@@H]2CC1 ZINC000026576081 182446728 /nfs/dbraw/zinc/44/67/28/182446728.db2.gz QLQKBFUYLSQXIG-FXAWDEMLSA-N 0 0 305.377 3.466 1 0 DGAFRN COc1ccc2nc(N3C(=O)N[C@@H]4CCCCC[C@H]43)oc2c1 ZINC000026657014 182448960 /nfs/dbraw/zinc/44/89/60/182448960.db2.gz RTMFRAUTYIKCRK-DGCLKSJQSA-N 0 0 301.346 3.067 1 0 DGAFRN C[C@]1(O)CC(=O)O[C@H](CCc2ccc(Cl)cc2Cl)C1 ZINC000027181682 182464164 /nfs/dbraw/zinc/46/41/64/182464164.db2.gz YHUAWSMWEWKJFW-BXUZGUMPSA-N 0 0 303.185 3.383 1 0 DGAFRN O=C(c1ccc(F)c(F)c1F)[C@H](O)c1ccc(F)c(F)c1F ZINC000028713873 182536949 /nfs/dbraw/zinc/53/69/49/182536949.db2.gz ICSVRGYUGLAIDB-CYBMUJFWSA-N 0 0 320.188 3.438 1 0 in-vivo DGAFRN [NH3+][C@@H](C/C=C(\c1ccsc1)c1ccc(F)cc1F)C(=O)[O-] ZINC000028770281 182538664 /nfs/dbraw/zinc/53/86/64/182538664.db2.gz HZJDVLYSPPQMTL-JIJVXSHRSA-N 0 0 309.337 3.260 1 0 DGAFRN COc1cc2cccnc2c(N2C(=O)c3ccccc3C2=O)c1 ZINC000032274676 182639276 /nfs/dbraw/zinc/63/92/76/182639276.db2.gz CQBWMLDXGKILLF-UHFFFAOYSA-N 0 0 304.305 3.044 1 0 DGAFRN O=C(OCc1cccnc1)c1cc2c3ccccc3nc-2c[nH]1 ZINC000100707861 193802930 /nfs/dbraw/zinc/80/29/30/193802930.db2.gz OLMRGLYJTFPUHQ-UHFFFAOYSA-N 0 0 303.321 3.420 1 0 DGAFRN O=C(C=C1NC[C@@H]2c3ccccc3CCN2C1=O)c1ccccc1 ZINC000101628944 193829811 /nfs/dbraw/zinc/82/98/11/193829811.db2.gz AGCREYWPRPCXPY-GEBKJHSDSA-N 0 0 318.376 3.166 1 0 DGAFRN CC(=O)OCC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2(C)C ZINC000039175234 183014806 /nfs/dbraw/zinc/01/48/06/183014806.db2.gz MOXCJMYMBPJGRD-UHFFFAOYSA-N 0 0 304.386 3.400 1 0 DGAFRN O=C(/C=C/c1ccccc1)Oc1cncc(Br)c1 ZINC000040379815 183058071 /nfs/dbraw/zinc/05/80/71/183058071.db2.gz YAIBSPARNIMREN-VOTSOKGWSA-N 0 0 304.143 3.463 1 0 DGAFRN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccsc2)N1 ZINC000040786550 183134086 /nfs/dbraw/zinc/13/40/86/183134086.db2.gz FXNCDQCRASUMQV-GJZGRUSLSA-N 0 0 312.394 3.006 1 0 DGAFRN O=c1[nH]c2cc(F)c(Cl)cc2n1Cc1cc(F)cc(F)c1 ZINC000040918480 183149035 /nfs/dbraw/zinc/14/90/35/183149035.db2.gz JYWCOSPTGRQYHC-UHFFFAOYSA-N 0 0 312.678 3.449 1 0 DGAFRN COc1ccc(N(C)c2nc(CN(C)C)nc3ccccc32)cc1 ZINC000040957574 183151494 /nfs/dbraw/zinc/15/14/94/183151494.db2.gz DRHTYCHWHRUZLO-UHFFFAOYSA-N 0 0 322.412 3.468 1 0 DGAFRN COc1ccccc1-c1c(CO)c(CO)c2n1-c1ccccc1C2 ZINC000043020481 183328579 /nfs/dbraw/zinc/32/85/79/183328579.db2.gz CDOZNYMSSOHMBX-UHFFFAOYSA-N 0 0 321.376 3.042 1 0 DGAFRN COc1cc2c(cc1OC)-c1c3ccccc3[nH]c1C(=O)NC2 ZINC000043123309 183339385 /nfs/dbraw/zinc/33/93/85/183339385.db2.gz KZGHAFARVYFCLG-UHFFFAOYSA-N 0 0 308.337 3.096 1 0 DGAFRN COc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c(OC)c1 ZINC000043076590 183334674 /nfs/dbraw/zinc/33/46/74/183334674.db2.gz GILNDDYLQRZKNW-UHFFFAOYSA-N 0 0 321.336 3.272 1 0 DGAFRN NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc[nH]1 ZINC000049054122 183706907 /nfs/dbraw/zinc/70/69/07/183706907.db2.gz CNDXNYDGDZOYBN-ZDUSSCGKSA-N 0 0 304.806 3.063 1 0 DGAFRN CC(=O)Nc1ccc2oc(-c3ccc(F)cc3)c(O)c(=O)c2c1 ZINC000058581867 184123463 /nfs/dbraw/zinc/12/34/63/184123463.db2.gz CCWAGRVNVRKFRK-UHFFFAOYSA-N 0 0 313.284 3.263 1 0 DGAFRN CC(=O)N[C@@H](c1nc(-c2cccnc2)cs1)c1ccccc1 ZINC000061905660 184194042 /nfs/dbraw/zinc/19/40/42/184194042.db2.gz FIACRMVBURLDIZ-MRXNPFEDSA-N 0 0 309.394 3.431 3 0 DGAFRN CCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2scnc2c1 ZINC000061908702 184194541 /nfs/dbraw/zinc/19/45/41/184194541.db2.gz ZGUSZTHYNOPXEK-MRXNPFEDSA-N 0 0 317.414 3.026 3 0 DGAFRN C[C@@H]1CN([S@](=O)C(C)(C)C)[C@H](CCO)/C1=C\c1ccccc1 ZINC000061943280 184198041 /nfs/dbraw/zinc/19/80/41/184198041.db2.gz UDSDLWCITKWWHE-SEPGHMQPSA-N 0 0 321.486 3.235 3 0 DGAFRN COc1cc(N2C(=O)C[C@@H]2c2cccs2)cc(OC)c1OC ZINC000066258374 184399329 /nfs/dbraw/zinc/39/93/29/184399329.db2.gz DEUQTIWNVAHXOI-LLVKDONJSA-N 0 0 319.382 3.252 1 0 DGAFRN O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1 ZINC000103860180 257121638 /nfs/dbraw/zinc/12/16/38/257121638.db2.gz UNNVURWTZRALLD-UHFFFAOYSA-N 0 0 322.755 3.381 3 0 DGAFRN CCOC(=O)c1cn(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC000585144108 400128773 /nfs/dbraw/zinc/12/87/73/400128773.db2.gz CHDPDHAFRWSQLL-UHFFFAOYSA-N 0 0 309.325 3.236 2 0 DGAFRN CC1(C)[C@@H]2CC[C@]34C[C@H](CC[C@@H]3[C@]2(C)CC[C@@H]1O)[C@@](O)(CO)C4 ZINC000095486121 560061677 /nfs/dbraw/zinc/06/16/77/560061677.db2.gz JRMZVZSBORMZSD-FDMURRQVSA-N 0 0 322.489 3.113 1 0 biogenic,in-vitro DGAFRN COc1cccc2c1-c1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000000174790 560177571 /nfs/dbraw/zinc/17/75/71/560177571.db2.gz RQCOQZNIQLKGTN-CYBMUJFWSA-N 0 0 311.381 3.162 1 0 biogenic,in-vitro DGAFRN CC(C)=CCc1cc2c(c(C=O)c1O)CC[C@H](/C=C/[C@H](C)O)O2 ZINC000013385300 560216194 /nfs/dbraw/zinc/21/61/94/560216194.db2.gz XWZLFKLXNARMNW-HSRYQADGSA-N 0 0 316.397 3.344 1 0 in-vitro DGAFRN COc1ccc2c(c1)O[C@H]1c3ccc(OC)c(OC)c3OC[C@H]21 ZINC000014822207 571724709 /nfs/dbraw/zinc/72/47/09/571724709.db2.gz XLPOISABZDNFQM-CJNGLKHVSA-N 0 0 314.337 3.322 1 0 endogenous,in-man DGAFRN Fc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1 ZINC000095555849 185379698 /nfs/dbraw/zinc/37/96/98/185379698.db2.gz DLCPVOQYMPIPKI-UHFFFAOYSA-N 0 0 323.306 3.055 1 0 DGAFRN COc1cc(/C=C/C(=O)N2[C@H](C)CCC[C@H]2C)cc2c1OCO2 ZINC000095564066 185380210 /nfs/dbraw/zinc/38/02/10/185380210.db2.gz UPWNLKGDKSJRTN-WUOSCTTQSA-N 0 0 317.385 3.227 1 0 DGAFRN COC(=O)C1=C(C)O[P@](=O)(OC)CC[C@H]1c1ccccc1 ZINC000095579146 185380796 /nfs/dbraw/zinc/38/07/96/185380796.db2.gz OVUODHGSBZCOGS-YEJXKQKISA-N 0 0 310.286 3.477 1 0 DGAFRN O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CCCCN1C2=O ZINC000095580271 185381402 /nfs/dbraw/zinc/38/14/02/185381402.db2.gz KVVMSGAISWJACO-CQSZACIVSA-N 0 0 322.368 3.406 1 0 DGAFRN Nc1nc2cc3c(cc2s1)CCN(C(=O)c1ccccc1)CC3 ZINC000095583980 185381819 /nfs/dbraw/zinc/38/18/19/185381819.db2.gz PKCKYGUNWTVCMU-UHFFFAOYSA-N 0 0 323.421 3.120 1 0 DGAFRN Cn1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21 ZINC000096923004 185391778 /nfs/dbraw/zinc/39/17/78/185391778.db2.gz AGZFPQIYJNBIPK-UHFFFAOYSA-N 0 0 321.258 3.140 1 0 DGAFRN COc1ccc2c(c1)C[C@@H]1c3cc4c(cc3CCN1C2)OCO4 ZINC000096930025 185392193 /nfs/dbraw/zinc/39/21/93/185392193.db2.gz JSCUCCUETPUNRT-QGZVFWFLSA-N 0 0 309.365 3.079 1 0 DGAFRN CCCCCCOc1ccc2c(c1)SCc1n[nH]c(=O)n1-2 ZINC000096929618 185392168 /nfs/dbraw/zinc/39/21/68/185392168.db2.gz ZWWCOYSRECWENW-UHFFFAOYSA-N 0 0 305.403 3.125 1 0 DGAFRN COc1cc2c(cc1CO)C=C[C@@H]1C(C)(C)[C@H](O)CC[C@@]21C ZINC000103227561 185439483 /nfs/dbraw/zinc/43/94/83/185439483.db2.gz OQWQQASPTCXQLO-LMMKCTJWSA-N 0 0 302.414 3.269 1 0 DGAFRN COc1ccc(S(=O)(=O)/C=C/c2cccc(OC)c2)cc1 ZINC000103248145 185440532 /nfs/dbraw/zinc/44/05/32/185440532.db2.gz ORVXTSLTJDZDQQ-ZHACJKMWSA-N 0 0 304.367 3.148 1 0 DGAFRN COCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)C ZINC000071316199 190956198 /nfs/dbraw/zinc/95/61/98/190956198.db2.gz XGKFQANSNLBLCD-UHFFFAOYSA-N 0 0 310.806 3.312 1 0 DGAFRN CC(C)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072101395 191036777 /nfs/dbraw/zinc/03/67/77/191036777.db2.gz UMIYDJABOQOTHY-CQSZACIVSA-N 0 0 323.318 3.357 1 0 DGAFRN OC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072102401 191037088 /nfs/dbraw/zinc/03/70/88/191037088.db2.gz KHCODUOXAXLWGY-QGZVFWFLSA-N 0 0 302.805 3.281 1 0 DGAFRN CC(C)CNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000072122041 191039951 /nfs/dbraw/zinc/03/99/51/191039951.db2.gz GIXKDXRKQCAFOZ-UHFFFAOYSA-N 0 0 311.307 3.481 3 0 DGAFRN COc1cccc(N(C)Cc2coc(-c3ccc(O)cc3)n2)n1 ZINC000072180234 191072359 /nfs/dbraw/zinc/07/23/59/191072359.db2.gz SVMRMKPPHHHAES-UHFFFAOYSA-N 0 0 311.341 3.087 1 0 DGAFRN CCOc1ccc(-c2nc(C[NH2+][C@H](CC)COC)co2)cc1 ZINC000072186286 191072964 /nfs/dbraw/zinc/07/29/64/191072964.db2.gz KPYQJIJBSULQSW-CQSZACIVSA-N 0 0 304.390 3.255 1 0 DGAFRN CCOC(=O)c1cc(Cc2cccc(Cl)c2)c(=O)[nH]c1C ZINC000084690546 192458279 /nfs/dbraw/zinc/45/82/79/192458279.db2.gz NBAFGWMCFPZYBV-UHFFFAOYSA-N 0 0 305.761 3.104 1 0 DGAFRN CCN(CC)c1nc(=O)c(C(=O)C(C)(C)C)c(C(C)(C)C)o1 ZINC000001857098 180899033 /nfs/dbraw/zinc/89/90/33/180899033.db2.gz ZQVWKUVDGHOZCC-UHFFFAOYSA-N 0 0 308.422 3.407 1 0 DGAFRN O=C(c1ccccc1)n1cc(-c2ccccc2)c2c1nc[nH]c2=O ZINC000001858314 180899202 /nfs/dbraw/zinc/89/92/02/180899202.db2.gz YDBFIGPAHUHCLW-UHFFFAOYSA-N 0 0 315.332 3.080 1 0 DGAFRN COc1ccc(NC(=O)C(=O)c2c[nH]c3cccc(C)c32)cc1 ZINC000073140902 191282173 /nfs/dbraw/zinc/28/21/73/191282173.db2.gz QMTSNGMWPBLRAT-UHFFFAOYSA-N 0 0 308.337 3.306 1 0 DGAFRN CC[C@H](C)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000003377325 181012876 /nfs/dbraw/zinc/01/28/76/181012876.db2.gz UFHWZNRPXNLHAW-VIFPVBQESA-N 0 0 303.387 3.351 3 0 DGAFRN Cc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1F ZINC000003906415 181056130 /nfs/dbraw/zinc/05/61/30/181056130.db2.gz LWYGRXVCTZWUPF-UHFFFAOYSA-N 0 0 316.357 3.149 1 0 DGAFRN Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000003913588 181057902 /nfs/dbraw/zinc/05/79/02/181057902.db2.gz SQFKOZWUUJTNON-UHFFFAOYSA-N 0 0 314.385 3.255 3 0 DGAFRN CC1(C)Cc2c3ccccc3ccc2C(NCCCC(=O)[O-])=[NH+]1 ZINC000004162275 181079587 /nfs/dbraw/zinc/07/95/87/181079587.db2.gz ZRFOIHLVPWJYOY-UHFFFAOYSA-N 0 0 310.397 3.376 1 0 DGAFRN COc1ccc2c(c1)CCc1c(=O)c3cc4c(cc3[nH]c1-2)OCO4 ZINC000005503260 181250894 /nfs/dbraw/zinc/25/08/94/181250894.db2.gz HNSQFZFAXOKNHP-UHFFFAOYSA-N 0 0 321.332 3.031 1 0 DGAFRN c1nc2ccc(-c3nnc(SCc4ccncc4)o3)cc2[nH]1 ZINC000005626301 181265167 /nfs/dbraw/zinc/26/51/67/181265167.db2.gz CRIWNHJPYAHSBX-UHFFFAOYSA-N 0 0 309.354 3.300 1 0 DGAFRN CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](F)C[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000005764578 181281416 /nfs/dbraw/zinc/28/14/16/181281416.db2.gz HPWNWIGEGOPWMQ-RUOITVIXSA-N 0 0 320.404 3.182 1 0 DGAFRN O[C@]12c3ccccc3[C@@H]1[C@@H]1[C@@H](CCC13OCCO3)c1ccccc12 ZINC000005847633 181289163 /nfs/dbraw/zinc/28/91/63/181289163.db2.gz ZXAGLSDEXKRMRM-YNJGCUIUSA-N 0 0 320.388 3.270 1 0 DGAFRN Nc1nc2occ(CNc3cccc4ccccc43)c2c(N)n1 ZINC000005940027 181298444 /nfs/dbraw/zinc/29/84/44/181298444.db2.gz WQSMNBXTJAZIED-UHFFFAOYSA-N 0 0 305.341 3.153 1 0 DGAFRN CCCN1C(=O)C[C@@H](C)N(Cc2ccccc2Cl)C1=S ZINC000006009950 181305835 /nfs/dbraw/zinc/30/58/35/181305835.db2.gz FVKOJEWXYSVSIP-LLVKDONJSA-N 0 0 310.850 3.458 1 0 DGAFRN Clc1ccc([C@@]2(Cn3cncn3)OCc3ccccc32)cc1 ZINC000006583245 181357302 /nfs/dbraw/zinc/35/73/02/181357302.db2.gz AFFYNHDAUHLCSP-QGZVFWFLSA-N 0 0 311.772 3.406 1 0 DGAFRN CCc1ccc([C@@H]2N=C3Oc4ccccc4C=C3C(=O)N2)cc1 ZINC000006817621 181393997 /nfs/dbraw/zinc/39/39/97/181393997.db2.gz GIGUBHAOMGYTMR-KRWDZBQOSA-N 0 0 304.349 3.252 1 0 DGAFRN Nc1nc(NC2CCCCC2)sc1C(=O)c1cccnc1 ZINC000095920778 193449341 /nfs/dbraw/zinc/44/93/41/193449341.db2.gz GAZJAWWHSQBFHM-UHFFFAOYSA-N 0 0 302.403 3.096 1 0 in-vitro DGAFRN Nc1nc2c(s1)Cc1c-2cccc1OC(=O)C1CCCC1 ZINC000012405257 181758092 /nfs/dbraw/zinc/75/80/92/181758092.db2.gz RAYCQDKBLZPANS-UHFFFAOYSA-N 0 0 300.383 3.392 1 0 DGAFRN COc1ccc2oc3c(c(C)nn3-c3cccc(N)c3)c(=O)c2c1 ZINC000012405805 181758203 /nfs/dbraw/zinc/75/82/03/181758203.db2.gz YIALGSMGEHOYMP-UHFFFAOYSA-N 0 0 321.336 3.031 1 0 DGAFRN CCN1c2ccccc2N[C@H]2N=C(OC)[C@H](c3ccccc3)[C@H]21 ZINC000013154941 181834609 /nfs/dbraw/zinc/83/46/09/181834609.db2.gz ASCBUEVCEVGOFP-KURKYZTESA-N 0 0 307.397 3.475 1 0 DGAFRN O=C(NCCc1c(Br)[nH]c2ccccc21)C1CCC1 ZINC000013494157 181856890 /nfs/dbraw/zinc/85/68/90/181856890.db2.gz ISZKKHJAKUMBFX-UHFFFAOYSA-N 0 0 321.218 3.389 1 0 DGAFRN CC1(C)[C@H](NC(=S)Nc2ccc(N)nc2)[C@]2(C)CC[C@H]1C2 ZINC000013600689 181867823 /nfs/dbraw/zinc/86/78/23/181867823.db2.gz DDBNCBXQIRMIMM-YNZJMPHRSA-N 0 0 304.463 3.165 1 0 DGAFRN O[C@]1(c2ccc(Cl)cc2Cl)c2ccccc2C2=NCCN21 ZINC000013760555 181891576 /nfs/dbraw/zinc/89/15/76/181891576.db2.gz QGGJQGSZPWIKSW-INIZCTEOSA-N 0 0 319.191 3.263 1 0 DGAFRN CCCc1c(C)n2cc(-c3nc(C)cs3)nc2nc1OC ZINC000013822419 181902616 /nfs/dbraw/zinc/90/26/16/181902616.db2.gz GCPNKTMSZRYTFI-UHFFFAOYSA-N 0 0 302.403 3.431 1 0 DGAFRN O=C(Nc1cc(F)ccc1F)c1cc(-c2ccncc2)[nH]n1 ZINC000015785445 182017500 /nfs/dbraw/zinc/01/75/00/182017500.db2.gz NIJKJJCKSRNOHR-UHFFFAOYSA-N 0 0 300.268 3.002 1 0 DGAFRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C ZINC000017326320 182083397 /nfs/dbraw/zinc/08/33/97/182083397.db2.gz SCKVBFYHMGNGQY-XOTLKHAWSA-N 0 0 320.429 3.476 1 0 DGAFRN C=C1C(N(CC)CC)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000020901052 182252945 /nfs/dbraw/zinc/25/29/45/182252945.db2.gz YFWUVBVEVVKARS-UHFFFAOYSA-N 0 0 312.822 3.155 1 0 DGAFRN CN1CCN([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925214 182340760 /nfs/dbraw/zinc/34/07/60/182340760.db2.gz FNXVFVIKVBLUPH-OAHLLOKOSA-N 0 0 317.433 3.081 1 0 DGAFRN Nc1nc2ccc(Cl)cc2c2nc(-c3cccs3)nn21 ZINC000025972340 182427016 /nfs/dbraw/zinc/42/70/16/182427016.db2.gz SACGXDQZRYRWEP-UHFFFAOYSA-N 0 0 301.762 3.242 1 0 DGAFRN CCCC[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000026387809 182439151 /nfs/dbraw/zinc/43/91/51/182439151.db2.gz YTFMNKGDAMWRBL-LJQANCHMSA-N 0 0 306.365 3.125 1 0 DGAFRN C[C@](O)(C(=O)Nc1cccc(Cl)c1Cl)C(F)(F)F ZINC000026382380 182439596 /nfs/dbraw/zinc/43/95/96/182439596.db2.gz ZTSYVKWXYINLJV-VIFPVBQESA-N 0 0 302.079 3.245 1 0 DGAFRN CC(=O)Nc1ccc(Nc2nccc(-c3ccccn3)n2)cc1 ZINC000026649073 182448447 /nfs/dbraw/zinc/44/84/47/182448447.db2.gz VTXFVFWLTPZDEB-UHFFFAOYSA-N 0 0 305.341 3.241 1 0 DGAFRN O=C1N[C@H]2CCCCC[C@@H]2N1c1nc2ccc(F)c(F)c2o1 ZINC000026653239 182449041 /nfs/dbraw/zinc/44/90/41/182449041.db2.gz LENHHZQGSWCZJW-ONGXEEELSA-N 0 0 307.300 3.337 1 0 DGAFRN Cc1c2ccccc2n2c1CN(Cn1nnc3ccccc31)CC2 ZINC000028564045 182528366 /nfs/dbraw/zinc/52/83/66/182528366.db2.gz NWFYYKISLISXSA-UHFFFAOYSA-N 0 0 317.396 3.168 1 0 DGAFRN CCSC(=S)SCC(=O)c1ccc2c(c1)OCCO2 ZINC000028709984 182535771 /nfs/dbraw/zinc/53/57/71/182535771.db2.gz JALIMUSEXLWZDK-UHFFFAOYSA-N 0 0 314.453 3.412 1 0 DGAFRN COc1ccc(Oc2ccc(C(=O)N(C)OC)cc2)cc1F ZINC000028957225 182547018 /nfs/dbraw/zinc/54/70/18/182547018.db2.gz PCXBJKSKENMDLK-UHFFFAOYSA-N 0 0 305.305 3.260 1 0 DGAFRN CC(=O)O[C@H]1[C@H](C)C=C2C=C3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000029545899 182570175 /nfs/dbraw/zinc/57/01/75/182570175.db2.gz FIXJDTGKYULZJE-LZJDPDJASA-N 0 0 302.370 3.298 1 0 DGAFRN Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1 ZINC000035000261 182747114 /nfs/dbraw/zinc/74/71/14/182747114.db2.gz IATOZURPNIOIDD-UHFFFAOYSA-N 0 0 320.352 3.456 1 0 DGAFRN CC(C)CN1C(=O)[C@H](C)[C@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)O[C@@H]1[C@]23O4 ZINC000038882861 183011836 /nfs/dbraw/zinc/01/18/36/183011836.db2.gz GXWIYMLZQFALDP-GQCXVOEYSA-N 0 0 321.461 3.405 1 0 DGAFRN Clc1c2nc(N3CCOCC3)sc2nc2ccccc21 ZINC000040827748 183138731 /nfs/dbraw/zinc/13/87/31/183138731.db2.gz BGPITUOCWHEJGZ-UHFFFAOYSA-N 0 0 305.790 3.335 1 0 DGAFRN OCCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 ZINC000040833770 183140087 /nfs/dbraw/zinc/14/00/87/183140087.db2.gz VGTVABAAMSLUFX-UHFFFAOYSA-N 0 0 315.373 3.362 1 0 DGAFRN COC(=O)C1=C[C@@]2(C)CC[C@@H]3[C@@H](C)C[C@H](OC(C)=O)[C@@]32[C@@H]1C ZINC000040847955 183141119 /nfs/dbraw/zinc/14/11/19/183141119.db2.gz NQYWCGLNDMRPDO-DUOLZBPQSA-N 0 0 306.402 3.110 1 0 DGAFRN CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)[C@H](C)c1ccccc1 ZINC000040860152 183142605 /nfs/dbraw/zinc/14/26/05/183142605.db2.gz QHRYOTPPIXQUBM-CZUORRHYSA-N 0 0 322.426 3.204 1 0 DGAFRN COc1ccc(-c2cc(OCC(C)C)cc(=O)[nH]2)cc1OC ZINC000040933291 183148946 /nfs/dbraw/zinc/14/89/46/183148946.db2.gz LXHGDZWLXWOQGZ-UHFFFAOYSA-N 0 0 303.358 3.094 1 0 DGAFRN COc1ccc([C@H]2CC(OCC(C)C)=CC(=O)O2)cc1OC ZINC000040940325 183149815 /nfs/dbraw/zinc/14/98/15/183149815.db2.gz HEEFNNKKCDKPNC-OAHLLOKOSA-N 0 0 306.358 3.248 1 0 DGAFRN CN(C)Cc1cc(F)ccc1Oc1ccc([S@](C)=O)cc1 ZINC000040950987 183150864 /nfs/dbraw/zinc/15/08/64/183150864.db2.gz HQGXPNMHFCEADD-OAQYLSRUSA-N 0 0 307.390 3.417 1 0 DGAFRN O=C1c2ccccc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000040956483 183151463 /nfs/dbraw/zinc/15/14/63/183151463.db2.gz CRURRVCJGJFKNO-UHFFFAOYSA-N 0 0 321.254 3.315 1 0 DGAFRN COc1ccc(N(C)c2ncnc3ccsc32)cc1OC ZINC000040976122 183153911 /nfs/dbraw/zinc/15/39/11/183153911.db2.gz GZOWGXIMNWNQAD-UHFFFAOYSA-N 0 0 301.371 3.476 1 0 DGAFRN O=C1CC2(CCCCC2)Cc2nc(N3CCOCC3)sc21 ZINC000040892762 183146014 /nfs/dbraw/zinc/14/60/14/183146014.db2.gz ZIOTVWCDRNZWHJ-UHFFFAOYSA-N 0 0 306.431 3.059 1 0 DGAFRN CC(=O)Oc1cc2cc3c(cc2c(-c2ccc(N)cc2)n1)OCO3 ZINC000045352278 183500237 /nfs/dbraw/zinc/50/02/37/183500237.db2.gz TVXBMBSELOOKKI-UHFFFAOYSA-N 0 0 322.320 3.138 1 0 DGAFRN COc1ccc(C2=Nc3nnnn3[C@H](c3cccc(C)c3)C2)cc1 ZINC000102619962 193902842 /nfs/dbraw/zinc/90/28/42/193902842.db2.gz KFFKKKTWUOTRAK-KRWDZBQOSA-N 0 0 319.368 3.046 1 0 DGAFRN COc1ccc(-c2ccc3cccc4c3c2C(=O)[C@@H](O)[C@@H]4O)cc1 ZINC000049802354 183759632 /nfs/dbraw/zinc/75/96/32/183759632.db2.gz MIVCUDFEBOYZEM-QUCCMNQESA-N 0 0 320.344 3.106 1 0 DGAFRN O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000058046508 184070507 /nfs/dbraw/zinc/07/05/07/184070507.db2.gz DJUHCNIOYKAEKS-ZBFHGGJFSA-N 0 0 313.788 3.245 3 0 DGAFRN Cc1cc(C)nc([N-]c2nc([C@@H]([NH3+])c3ccccc3)cs2)n1 ZINC000061902792 184193491 /nfs/dbraw/zinc/19/34/91/184193491.db2.gz KOLILRDHMUTGSW-AWEZNQCLSA-N 0 0 311.414 3.342 3 0 DGAFRN CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000061904063 184193974 /nfs/dbraw/zinc/19/39/74/184193974.db2.gz UZFBRUPGZVMXHA-MRXNPFEDSA-N 0 0 324.424 3.218 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061903816 184194286 /nfs/dbraw/zinc/19/42/86/184194286.db2.gz MLUZGERHOZJINL-GOSISDBHSA-N 0 0 303.402 3.152 3 0 DGAFRN COc1ccc(C(C)=O)cc1-c1cc(OC)c(O)c(OC)c1 ZINC000064485569 184298321 /nfs/dbraw/zinc/29/83/21/184298321.db2.gz LDGOIBFITSTUDN-UHFFFAOYSA-N 0 0 302.326 3.288 1 0 DGAFRN CCn1nc(C)cc1-c1nnc2sc(-c3ccc(C)cc3)nn21 ZINC000064548749 184299395 /nfs/dbraw/zinc/29/93/95/184299395.db2.gz CVCZUZQUZUNVHN-UHFFFAOYSA-N 0 0 324.413 3.353 1 0 DGAFRN O=c1oc2ccccc2n1CN(Cc1ccsc1)C1CC1 ZINC000064112461 184292530 /nfs/dbraw/zinc/29/25/30/184292530.db2.gz PIQWWWMHFBTXPB-UHFFFAOYSA-N 0 0 300.383 3.278 1 0 DGAFRN CC(=O)Nc1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1 ZINC000066097435 184388536 /nfs/dbraw/zinc/38/85/36/184388536.db2.gz AXNQQSNSHKSLDU-IBGZPJMESA-N 0 0 323.396 3.413 1 0 DGAFRN O=c1[nH]cc(Br)c2sc(-c3ccncc3)cc21 ZINC000066157016 184393693 /nfs/dbraw/zinc/39/36/93/184393693.db2.gz YFBJHINTWOTPAK-UHFFFAOYSA-N 0 0 307.172 3.414 1 0 in-vitro DGAFRN CC(=O)O[C@H]1CCC2=C[C@@H](OC2=O)c2c(C)coc2/C=C\1C ZINC000156781577 197140504 /nfs/dbraw/zinc/14/05/04/197140504.db2.gz POZFTWCDGVFNCC-PSASAPJRSA-N 0 0 302.326 3.241 1 0 DGAFRN COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1nnc(C)s1 ZINC000023398720 286394566 /nfs/dbraw/zinc/39/45/66/286394566.db2.gz IFWIDBABMJDVLS-CYBMUJFWSA-N 0 0 318.402 3.054 1 0 DGAFRN Cc1ccccc1CN1c2ccccc2C2(OCCCO2)C1=O ZINC000000217586 292629663 /nfs/dbraw/zinc/62/96/63/292629663.db2.gz WDVLGSGAWYHFNN-UHFFFAOYSA-N 0 0 309.365 3.132 3 0 DGAFRN C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(CO)CCC[C@@](C)(CO)[C@H]1CC3 ZINC000238734618 432814577 /nfs/dbraw/zinc/81/45/77/432814577.db2.gz UZFORYGXRNFDDG-VMJIZDNZSA-N 0 0 322.489 3.115 1 0 DGAFRN Clc1ccc(Cl)c(-c2nnnn2Cc2cccnc2)c1 ZINC000035929329 518194703 /nfs/dbraw/zinc/19/47/03/518194703.db2.gz QITYWNHIAKFQQA-UHFFFAOYSA-N 0 0 306.156 3.090 1 0 DGAFRN C[C@@]1(O)C[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000523042398 560029162 /nfs/dbraw/zinc/02/91/62/560029162.db2.gz OCUPFQFFVVEGAS-HZTYIQCYSA-N 0 0 322.489 3.256 1 0 biogenic DGAFRN COc1cc(C/C=C/CC(=O)c2ccc(O)cc2O)ccc1O ZINC000095486047 560061790 /nfs/dbraw/zinc/06/17/90/560061790.db2.gz SBKNCDZHZUVDRN-NSCUHMNNSA-N 0 0 314.337 3.184 1 0 biogenic,in-vitro DGAFRN CC(=O)N1CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 ZINC000014687790 571719785 /nfs/dbraw/zinc/71/97/85/571719785.db2.gz XVIHBNVDAPQBRH-HNNXBMFYSA-N 0 0 307.349 3.084 1 0 endogenous,in-man DGAFRN COc1ccc2c(c1)O[C@@H]1c3ccc(OC)c(OC)c3OC[C@H]21 ZINC000014822211 571724905 /nfs/dbraw/zinc/72/49/05/571724905.db2.gz XLPOISABZDNFQM-CZUORRHYSA-N 0 0 314.337 3.322 1 0 endogenous,in-man DGAFRN Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc32)n[nH]1 ZINC000034019276 581093734 /nfs/dbraw/zinc/09/37/34/581093734.db2.gz LGWDGIALCCNBQU-UHFFFAOYSA-N 0 0 302.341 3.467 1 0 DGAFRN Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3cccs3)cc2)cc1=O ZINC000095554531 185379636 /nfs/dbraw/zinc/37/96/36/185379636.db2.gz FVNUEGWIOHYACJ-KBPBESRZSA-N 0 0 323.421 3.362 1 0 DGAFRN O=C(c1cccc2c1C(=O)N(Cc1ccccc1)C2)N1CCCC1 ZINC000095573143 185380461 /nfs/dbraw/zinc/38/04/61/185380461.db2.gz LDBQJXCAMFZXQH-UHFFFAOYSA-N 0 0 320.392 3.079 1 0 DGAFRN O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000095575384 185380487 /nfs/dbraw/zinc/38/04/87/185380487.db2.gz DZHVJBFLDOOJPZ-JGGQBBKZSA-N 0 0 323.396 3.099 1 0 DGAFRN OCc1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000095585883 185381432 /nfs/dbraw/zinc/38/14/32/185381432.db2.gz BVDWAKQGKDIXNR-UHFFFAOYSA-N 0 0 316.364 3.034 1 0 DGAFRN COc1cc2ncnc(Nc3ccc4[nH]cnc4c3)c2cc1OC ZINC000095588251 185381865 /nfs/dbraw/zinc/38/18/65/185381865.db2.gz UVCICGUVSJJFGD-UHFFFAOYSA-N 0 0 321.340 3.267 1 0 DGAFRN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000095588200 185382229 /nfs/dbraw/zinc/38/22/29/185382229.db2.gz LVQWMXINLBWGOR-QGZVFWFLSA-N 0 0 322.364 3.155 1 0 DGAFRN CCN1C(=O)S/C(=C\C2=Cc3cccc(OC)c3OC2)C1=O ZINC000095598381 185382364 /nfs/dbraw/zinc/38/23/64/185382364.db2.gz JBTUZDKRTKIRQZ-JYRVWZFOSA-N 0 0 317.366 3.070 1 0 DGAFRN CCN1CCc2c(c(C)nn2C(=O)Nc2ccc(C)cc2C)C1 ZINC000096917455 185391388 /nfs/dbraw/zinc/39/13/88/185391388.db2.gz ZADUGKMKKHQYSA-UHFFFAOYSA-N 0 0 312.417 3.267 1 0 DGAFRN CCN1CCc2c(c(C)nn2C(=O)Nc2cc(C)ccc2F)C1 ZINC000096917459 185391573 /nfs/dbraw/zinc/39/15/73/185391573.db2.gz JELOZZQAOYOKIO-UHFFFAOYSA-N 0 0 316.380 3.097 1 0 DGAFRN Oc1ccc2c(c1)C[C@H]1c3cc(O)c(Cl)cc3CCN1C2 ZINC000096930020 185392179 /nfs/dbraw/zinc/39/21/79/185392179.db2.gz CJOFMPAUHPDCBS-INIZCTEOSA-N 0 0 301.773 3.407 1 0 DGAFRN COc1ccc(-c2cc(-c3cc(OC)ccc3O)nc(N)n2)cc1 ZINC000082152213 192361476 /nfs/dbraw/zinc/36/14/76/192361476.db2.gz ITHSFDUGPLLJNI-UHFFFAOYSA-N 0 0 323.352 3.116 1 0 DGAFRN CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccn1 ZINC000082155583 192361971 /nfs/dbraw/zinc/36/19/71/192361971.db2.gz CXQNEVRYYVNEPN-LJQANCHMSA-N 0 0 317.348 3.474 1 0 DGAFRN Cc1ccc(NCCN2C(=O)O[C@H](c3ccccc3)C2=O)cc1 ZINC000103208627 185438461 /nfs/dbraw/zinc/43/84/61/185438461.db2.gz QHFHXAKJKPIJPR-MRXNPFEDSA-N 0 0 310.353 3.127 1 0 DGAFRN O=C1Nc2ccccc2[C@@H]1c1ccnc(Nc2ccccc2O)n1 ZINC000071318561 190957545 /nfs/dbraw/zinc/95/75/45/190957545.db2.gz LAWQCTXIAVNVKR-MRXNPFEDSA-N 0 0 318.336 3.010 1 0 DGAFRN Cc1ccncc1[C@](O)(c1ccc(Cl)cc1)c1cncnc1 ZINC000072102075 191037184 /nfs/dbraw/zinc/03/71/84/191037184.db2.gz FTBOUWHFVXNTSB-KRWDZBQOSA-N 0 0 311.772 3.118 1 0 DGAFRN CC(C)(O)c1cn(Cc2cccc(Oc3ccccc3)c2)nn1 ZINC000072118879 191039277 /nfs/dbraw/zinc/03/92/77/191039277.db2.gz WXEAPAFFWCUXEL-UHFFFAOYSA-N 0 0 309.369 3.346 1 0 DGAFRN C[C@]12CC[C@@H]3c4ccc(O)c(CO)c4CC[C@H]3[C@@H]1CCC2=O ZINC000072127556 191042575 /nfs/dbraw/zinc/04/25/75/191042575.db2.gz MMUIKOXQHLULOY-ZLHSVIROSA-N 0 0 300.398 3.310 1 0 DGAFRN CC(C)OC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12 ZINC000072178193 191070400 /nfs/dbraw/zinc/07/04/00/191070400.db2.gz TUVRJMZAVSFWPS-UHFFFAOYSA-N 0 0 308.337 3.290 1 0 DGAFRN COc1ccc(-c2cc(F)cc3cc4n(c32)CCNC4=O)cc1 ZINC000143830800 186034292 /nfs/dbraw/zinc/03/42/92/186034292.db2.gz NDXQVAGMBWPNJO-UHFFFAOYSA-N 0 0 310.328 3.199 1 0 DGAFRN C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)c3ncccc23)C[C@@H](C)O1 ZINC000072323681 191122031 /nfs/dbraw/zinc/12/20/31/191122031.db2.gz IOUNVYKEBFXHMA-CHWSQXEVSA-N 0 0 315.417 3.041 2 0 DGAFRN CC(=O)c1cc2ncc(C(=O)N[C@H](C)c3ccccc3)cc2[nH]1 ZINC000072322849 191122032 /nfs/dbraw/zinc/12/20/32/191122032.db2.gz KFZWSHQUKQAHRS-LLVKDONJSA-N 0 0 307.353 3.257 2 0 DGAFRN CCOc1ccc(NC(=O)c2cnc3[nH]c(C(C)=O)cc3c2)cc1 ZINC000072323896 191122158 /nfs/dbraw/zinc/12/21/58/191122158.db2.gz JWFQFJHIRXTGER-UHFFFAOYSA-N 0 0 323.352 3.417 2 0 DGAFRN COc1ccc2c(=O)cc(-c3cc(OC)ccc3OC)oc2c1 ZINC000014807366 290917617 /nfs/dbraw/zinc/91/76/17/290917617.db2.gz FHGGYSQAPONPNP-UHFFFAOYSA-N 0 0 312.321 3.486 1 0 biogenic,in-vitro DGAFRN COc1ccc([C@H]2CCN(C(C)=O)C2)cc1OC1CCCC1 ZINC000000019959 180669586 /nfs/dbraw/zinc/66/95/86/180669586.db2.gz WRQNZULTUIAUAK-HNNXBMFYSA-N 0 0 303.402 3.352 1 0 DGAFRN COc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3)O2)cc1 ZINC000001636404 180882384 /nfs/dbraw/zinc/88/23/84/180882384.db2.gz AWWLNWLZARVRMJ-CXAGYDPISA-N 0 0 312.369 3.299 1 0 DGAFRN Cc1ccc(CNC(=O)[C@H]2CSC(c3cccs3)=N2)cc1 ZINC000003029814 180977960 /nfs/dbraw/zinc/97/79/60/180977960.db2.gz WJMROGDWICFPCW-CYBMUJFWSA-N 0 0 316.451 3.235 1 0 DGAFRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)NC(=O)c1ccccc1)C2 ZINC000003167684 180988424 /nfs/dbraw/zinc/98/84/24/180988424.db2.gz LEPYXXIYACUCTR-KSSFIOAISA-N 0 0 300.402 3.437 1 0 DGAFRN COc1ccc(CNc2nc(SC)nc3ncccc32)cc1 ZINC000073199679 191291482 /nfs/dbraw/zinc/29/14/82/191291482.db2.gz ZTJKHSCUVNECPI-UHFFFAOYSA-N 0 0 312.398 3.367 1 0 DGAFRN COc1ccc([C@H]2CC(=O)c3ccc(O)c(C)c3O2)c(OC)c1 ZINC000073198153 191291855 /nfs/dbraw/zinc/29/18/55/191291855.db2.gz SCDRDJZGPKYSJC-QGZVFWFLSA-N 0 0 314.337 3.424 1 0 DGAFRN O=C(c1ccc(Br)cc1)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000004103733 181073411 /nfs/dbraw/zinc/07/34/11/181073411.db2.gz HBPLDSGXCHOEEN-NEBZKDRISA-N 0 0 318.214 3.343 1 0 DGAFRN CCOC(=O)CC(=O)CSc1nc2cc(C)ccc2cc1C ZINC000004127523 181076678 /nfs/dbraw/zinc/07/66/78/181076678.db2.gz OGWDOFDCJHXSFF-UHFFFAOYSA-N 0 0 317.410 3.466 3 0 DGAFRN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(C)=O)cc1 ZINC000004292058 181093580 /nfs/dbraw/zinc/09/35/80/181093580.db2.gz SQBAOAQMXWBPDL-LJQANCHMSA-N 0 0 324.380 3.401 1 0 DGAFRN CCN1CCN(C(=O)c2cc3c(o2)c2ccccc2nc3C)CC1 ZINC000004902059 181170205 /nfs/dbraw/zinc/17/02/05/181170205.db2.gz GJJGVMMHNKVRIV-UHFFFAOYSA-N 0 0 323.396 3.067 1 0 DGAFRN O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1c(F)cccc1F ZINC000004870052 181167032 /nfs/dbraw/zinc/16/70/32/181167032.db2.gz TWCSGDZTDOCUPC-TUAOUCFPSA-N 0 0 323.339 3.273 1 0 DGAFRN O=C(Cn1cc2c(n1)CCCCC2)N[C@H]1CCCc2ccccc21 ZINC000005148756 181209506 /nfs/dbraw/zinc/20/95/06/181209506.db2.gz XWEHJCCUMKSCOA-IBGZPJMESA-N 0 0 323.440 3.346 1 0 DGAFRN CCOC(=O)[C@H]1Nc2ccc(O)cc2[C@@H]2c3ccccc3C[C@H]21 ZINC000005499734 181250508 /nfs/dbraw/zinc/25/05/08/181250508.db2.gz VKIFYMRBLHCVQC-NJAFHUGGSA-N 0 0 309.365 3.054 1 0 DGAFRN NC(=O)N1N=C2c3ccccc3SC[C@H]2[C@@H]1c1ccccc1 ZINC000005843802 181288300 /nfs/dbraw/zinc/28/83/00/181288300.db2.gz UWDGZLVIPODGSF-CJNGLKHVSA-N 0 0 309.394 3.248 1 0 DGAFRN Cc1ccnc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)c1 ZINC000005931460 181297313 /nfs/dbraw/zinc/29/73/13/181297313.db2.gz NRNTZKJLIWRPHG-OAHLLOKOSA-N 0 0 306.337 3.447 1 0 DGAFRN Nc1nc2occ(CNc3cc(Cl)ccc3Cl)c2c(N)n1 ZINC000005973983 181303002 /nfs/dbraw/zinc/30/30/02/181303002.db2.gz OZYVFDXJXOPCJM-UHFFFAOYSA-N 0 0 324.171 3.306 1 0 DGAFRN Cc1cc(Cl)nc2c1NC(=O)c1cccnc1N2C1CC1 ZINC000006522074 181348979 /nfs/dbraw/zinc/34/89/79/181348979.db2.gz QAVCQCQQTYJKSO-UHFFFAOYSA-N 0 0 300.749 3.305 1 0 DGAFRN Cc1cc(C)c2c(c1)CO[C@H]([C@@H](O)CO)[C@@H]2/C=C\c1ccccc1 ZINC000195392349 201386152 /nfs/dbraw/zinc/38/61/52/201386152.db2.gz FHRXQABKTKQZJZ-NLXVSZPXSA-N 0 0 324.420 3.352 1 0 DGAFRN CC1=C(C(=O)N[C@H](C)c2ccccc2)C2(CCCCC2)OC1=O ZINC000006772365 181386331 /nfs/dbraw/zinc/38/63/31/181386331.db2.gz VDYRDQAPHRDGHT-CQSZACIVSA-N 0 0 313.397 3.440 1 0 DGAFRN Cc1ccc(C(=O)Nc2nnc(C(=O)c3ccccc3)s2)cc1 ZINC000013479510 181855047 /nfs/dbraw/zinc/85/50/47/181855047.db2.gz GMYQCANFFIHMBR-UHFFFAOYSA-N 0 0 323.377 3.330 1 0 DGAFRN CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(C)cc2)n1 ZINC000013862368 181907666 /nfs/dbraw/zinc/90/76/66/181907666.db2.gz USIKKWUUGNTAKD-VHEBQXMUSA-N 0 0 307.353 3.052 1 0 DGAFRN C/C=C1\CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@H]1C(=O)OC ZINC000017215823 182080087 /nfs/dbraw/zinc/08/00/87/182080087.db2.gz MRTUFEKUTABFFB-RPDHBJIPSA-N 0 0 310.397 3.206 1 0 DGAFRN Cc1ccc(CCNc2ncc(C)c(-c3ccnn3C)n2)s1 ZINC000019794579 182150217 /nfs/dbraw/zinc/15/02/17/182150217.db2.gz XISSGHIACWNSHG-UHFFFAOYSA-N 0 0 313.430 3.210 1 0 DGAFRN COc1ccc(-c2c[nH]c([C@H]3CC(=O)N(CC(C)C)C3)n2)cc1 ZINC000023580992 182363777 /nfs/dbraw/zinc/36/37/77/182363777.db2.gz MPDCZFZFPQMBGO-AWEZNQCLSA-N 0 0 313.401 3.057 1 0 DGAFRN CCc1c(CC(=O)NC)nn(-c2ccccc2)c1-c1ccccc1 ZINC000025991230 182428025 /nfs/dbraw/zinc/42/80/25/182428025.db2.gz SZCNSFOKDFKKDI-UHFFFAOYSA-N 0 0 319.408 3.390 1 0 DGAFRN C=Cc1ccc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc1 ZINC000026183725 182432602 /nfs/dbraw/zinc/43/26/02/182432602.db2.gz VFDXLKLFOXIIMK-UHFFFAOYSA-N 0 0 315.380 3.440 1 0 DGAFRN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc[nH]n1 ZINC000026668753 182450089 /nfs/dbraw/zinc/45/00/89/182450089.db2.gz DHDRNGNXPBLRBX-UHFFFAOYSA-N 0 0 322.390 3.199 1 0 DGAFRN Cc1c2cc(C3=NNC(=O)C[C@@H]3C)ccc2[nH]c1-c1ccncc1 ZINC000026735635 182451320 /nfs/dbraw/zinc/45/13/20/182451320.db2.gz HXRFZRFSCUNAFA-NSHDSACASA-N 0 0 318.380 3.398 1 0 DGAFRN COC(=O)Nc1nc2cc(C(=O)c3cccs3)c(C)cc2[nH]1 ZINC000027410858 182471196 /nfs/dbraw/zinc/47/11/96/182471196.db2.gz HKRZYBBYLQVZQI-UHFFFAOYSA-N 0 0 315.354 3.342 1 0 DGAFRN COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N)n2)cc1OC ZINC000028527278 182527514 /nfs/dbraw/zinc/52/75/14/182527514.db2.gz BSGOOMKPFNFHLB-UHFFFAOYSA-N 0 0 323.352 3.116 1 0 DGAFRN COc1ccc2c(ccn2C(=O)c2cc(OC)cc(OC)c2)c1 ZINC000028397668 182522754 /nfs/dbraw/zinc/52/27/54/182522754.db2.gz JMYFYVDGQDVTAW-UHFFFAOYSA-N 0 0 311.337 3.356 1 0 DGAFRN CC1(C)[C@@H]2CCC3=C[C@](C)(C(=O)CO)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000032302900 182639579 /nfs/dbraw/zinc/63/95/79/182639579.db2.gz QPLUSCGQBUSKOF-WKKSIBQESA-N 0 0 320.473 3.488 1 0 DGAFRN CN1C(=N)N[C@@](C)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000036376961 182819928 /nfs/dbraw/zinc/81/99/28/182819928.db2.gz NOHPEKSBDPSXOM-KRWDZBQOSA-N 0 0 313.788 3.219 1 0 DGAFRN CCOC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1 ZINC000038882541 183011844 /nfs/dbraw/zinc/01/18/44/183011844.db2.gz DDAUUBIDZKMIDP-UHFFFAOYSA-N 0 0 316.405 3.373 1 0 DGAFRN CC(C)(C)c1cnc(C(=O)Nc2cc(O)ccc2Cl)cn1 ZINC000040424726 183065301 /nfs/dbraw/zinc/06/53/01/183065301.db2.gz BBEGMNNKWSMKFC-UHFFFAOYSA-N 0 0 305.765 3.385 1 0 DGAFRN O[C@]1(Cc2cccc3ccccc32)c2ccccc2C2=NCCN21 ZINC000040762886 183130638 /nfs/dbraw/zinc/13/06/38/183130638.db2.gz AZVCONJLWOKSSR-OAQYLSRUSA-N 0 0 314.388 3.303 1 0 DGAFRN COc1ccc(-c2coc3[nH]c(=O)c4cccn4c23)cc1OC ZINC000040918390 183148815 /nfs/dbraw/zinc/14/88/15/183148815.db2.gz DXPAUKINSVKLAH-UHFFFAOYSA-N 0 0 310.309 3.058 1 0 DGAFRN CN1CCO[C@](O)(c2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000040956617 183151444 /nfs/dbraw/zinc/15/14/44/183151444.db2.gz DVIGLLVDYXKLEU-KRWDZBQOSA-N 0 0 303.789 3.114 1 0 DGAFRN C=C(c1ccc(OC)c(O)c1)c1cc(O)c(OC)c(OC)c1 ZINC000040975228 183153781 /nfs/dbraw/zinc/15/37/81/183153781.db2.gz KFIIFMOGHOMGJN-UHFFFAOYSA-N 0 0 302.326 3.185 1 0 DGAFRN CSc1nc([C@H](O)c2ccc(Br)cc2)co1 ZINC000040979938 183154677 /nfs/dbraw/zinc/15/46/77/183154677.db2.gz MYIQDTLYSYYMGV-SNVBAGLBSA-N 0 0 300.177 3.241 1 0 DGAFRN C[C@H](NC1=NC(=O)[C@@](C)(CC(C)(C)O)S1)c1ccc(F)cc1 ZINC000040874320 183145289 /nfs/dbraw/zinc/14/52/89/183145289.db2.gz UWEKJVSDSPQIOU-MGPLVRAMSA-N 0 0 324.421 3.025 1 0 DGAFRN Cc1ccccc1-c1c(N)c(C(=O)c2ccccc2)cc[n+]1[O-] ZINC000043023014 183330315 /nfs/dbraw/zinc/33/03/15/183330315.db2.gz BNIUFOWGFZGKQY-UHFFFAOYSA-N 0 0 304.349 3.109 1 0 DGAFRN NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000045290690 183495509 /nfs/dbraw/zinc/49/55/09/183495509.db2.gz KNVWWTNESKSOBA-NEPJUHHUSA-N 0 0 315.200 3.224 1 0 DGAFRN CC[C@@]1(c2ccccc2)NC(=N)N(CCCc2ccccc2)C1=O ZINC000045196233 183489012 /nfs/dbraw/zinc/48/90/12/183489012.db2.gz KPERDERFECZANU-FQEVSTJZSA-N 0 0 321.424 3.291 1 0 DGAFRN CC(C)C[C@@H](C(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000049784224 183758996 /nfs/dbraw/zinc/75/89/96/183758996.db2.gz RXUBUMUJUSDVOE-SECBINFHSA-N 0 0 303.189 3.318 1 0 DGAFRN CCc1ccc([C@@H]2N3CCC[C@@H]3C(=O)N2c2cc(C)on2)cc1 ZINC000058047725 184070506 /nfs/dbraw/zinc/07/05/06/184070506.db2.gz JBSSOZJDJICSQE-NVXWUHKLSA-N 0 0 311.385 3.055 1 0 DGAFRN COc1ccc([C@H](O)c2nc(-c3ccccc3)c[nH]2)c(OC)c1 ZINC000061898363 184193441 /nfs/dbraw/zinc/19/34/41/184193441.db2.gz UBNOYNAWXOWXRK-KRWDZBQOSA-N 0 0 310.353 3.176 3 0 DGAFRN O=C(Nc1ccccc1)[C@H]1Cc2c(nccc2-c2ccco2)O1 ZINC000061898496 184193479 /nfs/dbraw/zinc/19/34/79/184193479.db2.gz KZSMDHBXDBKXJC-MRXNPFEDSA-N 0 0 306.321 3.284 3 0 DGAFRN CCNC(=O)[C@@]1(C)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000061903957 184193983 /nfs/dbraw/zinc/19/39/83/184193983.db2.gz CNNROTHQVNAKLM-OAHLLOKOSA-N 0 0 314.351 3.196 3 0 DGAFRN CCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000061908922 184194830 /nfs/dbraw/zinc/19/48/30/184194830.db2.gz IRSNSXMDBUHJKX-OAHLLOKOSA-N 0 0 313.756 3.037 3 0 DGAFRN CCOC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(F)c(C)c1 ZINC000061929714 184196165 /nfs/dbraw/zinc/19/61/65/184196165.db2.gz JCTVLIXSGNCYKL-KRWDZBQOSA-N 0 0 307.365 3.082 3 0 DGAFRN Nc1nnc2c3ccccc3c(Oc3cccc(Cl)c3)nn12 ZINC000064447073 184297003 /nfs/dbraw/zinc/29/70/03/184297003.db2.gz UPZJRZCSXIXRSQ-UHFFFAOYSA-N 0 0 311.732 3.305 1 0 DGAFRN CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1 ZINC000064573009 184299951 /nfs/dbraw/zinc/29/99/51/184299951.db2.gz IKURLBUMVCRMBN-UHFFFAOYSA-N 0 0 303.383 3.495 1 0 DGAFRN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000064837459 184304275 /nfs/dbraw/zinc/30/42/75/184304275.db2.gz ZPZYOXJIFOEOCZ-UHFFFAOYSA-N 0 0 322.430 3.344 1 0 DGAFRN C[C@H]1CCc2nc3ncn(Cc4cccc(F)c4)c(=O)c3cc2C1 ZINC000008610620 279775231 /nfs/dbraw/zinc/77/52/31/279775231.db2.gz GFKSTLKHHREPOY-LBPRGKRZSA-N 0 0 323.371 3.104 1 0 DGAFRN COc1cc(OC)c2c(c1)OC[C@H](Cc1ccc(O)cc1)C2 ZINC000014810981 560226352 /nfs/dbraw/zinc/22/63/52/560226352.db2.gz TXKVBZXCDLEHMT-CYBMUJFWSA-N 0 0 300.354 3.203 1 0 biogenic,in-vitro DGAFRN C[C@@]12C=C[C@]3(C1)CC[C@@H]1C(C)(C)[C@@H](O)C(=O)C[C@@]1(C)[C@@H]3C[C@@H]2O ZINC000100780570 571833737 /nfs/dbraw/zinc/83/37/37/571833737.db2.gz RFHATUKAQMWSEN-IHAQYFQTSA-N 0 0 318.457 3.096 1 0 endogenous,in-man DGAFRN CCNC(=O)c1cc(NC(=O)C2CCC2)cc2nc(C)ccc21 ZINC000065136067 655740636 /nfs/dbraw/zinc/74/06/36/655740636.db2.gz UWBCMDAAVMAOKU-UHFFFAOYSA-N 0 0 311.385 3.032 1 0 DGAFRN CNC(=O)c1n[nH]c(C)c1Cc1cccc(-c2ccc(F)cc2)c1 ZINC000095557709 185379639 /nfs/dbraw/zinc/37/96/39/185379639.db2.gz PCNVWJMDTDUIFY-UHFFFAOYSA-N 0 0 323.371 3.475 1 0 DGAFRN CC(=O)Nc1nc(C)c(-c2cnc(-c3cccnc3)o2)s1 ZINC000095563462 185379972 /nfs/dbraw/zinc/37/99/72/185379972.db2.gz QVDJLIIRGGPQQJ-UHFFFAOYSA-N 0 0 300.343 3.127 1 0 DGAFRN O=C([C@@H]1C[C@@H]2CC[C@H]1C2)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000095575385 185380465 /nfs/dbraw/zinc/38/04/65/185380465.db2.gz DZHVJBFLDOOJPZ-IVMMDQJWSA-N 0 0 323.396 3.099 1 0 DGAFRN Cc1cc(C)c2c(OCCOC(=O)NC(C)(C)C)nsc2n1 ZINC000096913308 185391334 /nfs/dbraw/zinc/39/13/34/185391334.db2.gz MCKKDXDOWDFXSO-UHFFFAOYSA-N 0 0 323.418 3.212 1 0 DGAFRN O=C(NC1CCCCCC1)c1cc(=O)c2cccc(O)c2[nH]1 ZINC000082151776 192362292 /nfs/dbraw/zinc/36/22/92/192362292.db2.gz ISQINEPQCJJGMP-UHFFFAOYSA-N 0 0 300.358 3.099 1 0 DGAFRN Cc1ccc2oc(-c3cc(NC(=O)CO)ccc3Cl)nc2c1 ZINC000029246592 190655662 /nfs/dbraw/zinc/65/56/62/190655662.db2.gz DXAQGPGJDCHQDN-UHFFFAOYSA-N 0 0 316.744 3.387 1 0 DGAFRN O=C1COc2cc(Br)ccc2N1Cc1ccccc1 ZINC000103212849 185438653 /nfs/dbraw/zinc/43/86/53/185438653.db2.gz KQJBAABOOCRIDK-UHFFFAOYSA-N 0 0 318.170 3.375 1 0 DGAFRN Oc1cccn(CCCn2cc(-c3ccccc3)nn2)c1=S ZINC000103256538 185441670 /nfs/dbraw/zinc/44/16/70/185441670.db2.gz SQRYMZKXUARVLS-UHFFFAOYSA-N 0 0 312.398 3.272 1 0 DGAFRN COc1nn([C@H](C)c2ccc(Oc3ccccc3)cc2)c(=O)o1 ZINC000103287223 185444638 /nfs/dbraw/zinc/44/46/38/185444638.db2.gz ZRNLKAYHCWFJNL-GFCCVEGCSA-N 0 0 312.325 3.247 1 0 DGAFRN CCS(=O)(=O)c1ccc2c(c1)nc(C1(C)CC1)n2CC1CC1 ZINC000072109089 191038133 /nfs/dbraw/zinc/03/81/33/191038133.db2.gz FPMXEAYXZRMJIF-UHFFFAOYSA-N 0 0 318.442 3.291 1 0 DGAFRN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000072136831 191046635 /nfs/dbraw/zinc/04/66/35/191046635.db2.gz PFZXWEDWKALCJN-UHFFFAOYSA-N 0 0 315.804 3.006 1 0 DGAFRN COc1cc(OC)c2c(c1)O[C@H]1C[C@@H]2Oc2c(O)cccc21 ZINC000072176636 191070938 /nfs/dbraw/zinc/07/09/38/191070938.db2.gz PJAWURWFLOLDDW-WFASDCNBSA-N 0 0 300.310 3.367 1 0 DGAFRN CCC(CC)CN1C(=O)S/C(=C\c2ccc(O)c(N)c2)C1=O ZINC000084689189 192455678 /nfs/dbraw/zinc/45/56/78/192455678.db2.gz ZZXHMQJRUGFTRP-ZSOIEALJSA-N 0 0 320.414 3.447 1 0 DGAFRN CC[C@@H]1Nc2c(-c3ccco3)cc(Cl)cc2S(=O)(=O)N1 ZINC000084711929 192458926 /nfs/dbraw/zinc/45/89/26/192458926.db2.gz GGBLEVJRYZDCCJ-GFCCVEGCSA-N 0 0 312.778 3.040 1 0 DGAFRN O=C(Nc1ccon1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072322822 191122385 /nfs/dbraw/zinc/12/23/85/191122385.db2.gz CGAJXLADFDUPBY-UHFFFAOYSA-N 0 0 318.336 3.325 2 0 DGAFRN COC[C@@H](C/C=C/c1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 ZINC000014761323 290916381 /nfs/dbraw/zinc/91/63/81/290916381.db2.gz YGBAZUOFIQLSHX-AKWDPIGTSA-N 0 0 314.381 3.497 1 0 biogenic,in-vitro DGAFRN CC(C)CCNC(=O)[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000000218631 180730203 /nfs/dbraw/zinc/73/02/03/180730203.db2.gz GJIMIMIOICIPNT-AWEZNQCLSA-N 0 0 315.417 3.207 1 0 DGAFRN COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@@]1(C)c1ccccc1 ZINC000073167265 191288607 /nfs/dbraw/zinc/28/86/07/191288607.db2.gz MVFDAGHVAFZJTD-VQTJNVASSA-N 0 0 324.376 3.251 1 0 DGAFRN Cc1cc(NC(=O)CSc2cn(C)c3ccccc23)no1 ZINC000003581754 181037071 /nfs/dbraw/zinc/03/70/71/181037071.db2.gz QALBEEDADGBTLO-UHFFFAOYSA-N 0 0 301.371 3.206 3 0 DGAFRN CC(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1cccc(O)c1 ZINC000003818221 181047068 /nfs/dbraw/zinc/04/70/68/181047068.db2.gz YLSHULIHKQRKEM-KRWDZBQOSA-N 0 0 316.307 3.368 1 0 DGAFRN OCc1cc(-c2nn(Cc3ccccc3)c3ccccc32)on1 ZINC000073198058 191291410 /nfs/dbraw/zinc/29/14/10/191291410.db2.gz UUXNALFGKYEGNI-UHFFFAOYSA-N 0 0 305.337 3.232 1 0 DGAFRN CO/C(=C\c1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1 ZINC000073198588 191291727 /nfs/dbraw/zinc/29/17/27/191291727.db2.gz PNYMAXGGFJUOBN-WJDWOHSUSA-N 0 0 301.317 3.460 1 0 DGAFRN Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1CO ZINC000003832353 181048109 /nfs/dbraw/zinc/04/81/09/181048109.db2.gz CZOUTEDNZRYTGU-UHFFFAOYSA-N 0 0 316.364 3.162 1 0 DGAFRN C=CC1=C(C(=O)NC(C)(C)C)[C@H](c2ccc(OC)cc2)OC1 ZINC000073221211 191294594 /nfs/dbraw/zinc/29/45/94/191294594.db2.gz PRZMSZOFYRMWTC-INIZCTEOSA-N 0 0 301.386 3.164 1 0 DGAFRN CCc1cc(NCc2cc3c(cc2OC)CCC3)c(=O)[nH]c1C ZINC000005887199 181293059 /nfs/dbraw/zinc/29/30/59/181293059.db2.gz MMHIUSFCQUDMTN-UHFFFAOYSA-N 0 0 312.413 3.355 1 0 DGAFRN NC(=S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 ZINC000006576120 181356318 /nfs/dbraw/zinc/35/63/18/181356318.db2.gz KZLXGYHTRBEPKL-IUODEOHRSA-N 0 0 313.451 3.315 1 0 DGAFRN Nc1cc(Cl)nc([S@](=O)Cc2ccc3ccccc3c2)n1 ZINC000006584506 181357240 /nfs/dbraw/zinc/35/72/40/181357240.db2.gz XVEKUXWUWKCKCI-NRFANRHFSA-N 0 0 317.801 3.173 1 0 DGAFRN COc1ccc2nc(-n3ccnc3)nc(NCc3ccco3)c2c1 ZINC000013743210 181888502 /nfs/dbraw/zinc/88/85/02/181888502.db2.gz WJUSGFSEPFFSJF-UHFFFAOYSA-N 0 0 321.340 3.029 1 0 DGAFRN CC(=O)O[C@H]1c2ccccc2C[C@]2(OC(C)=O)c3ccccc3[C@@H]12 ZINC000016923990 182064708 /nfs/dbraw/zinc/06/47/08/182064708.db2.gz QILKONMDKUVPBN-UFYCRDLUSA-N 0 0 322.360 3.403 1 0 DGAFRN O=C(NCc1ccccc1)c1cc(-c2ccncc2)nnc1Cl ZINC000025966266 182426374 /nfs/dbraw/zinc/42/63/74/182426374.db2.gz SPPRTXLXIZNGFC-UHFFFAOYSA-N 0 0 324.771 3.122 1 0 DGAFRN N[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000025977190 182426831 /nfs/dbraw/zinc/42/68/31/182426831.db2.gz OEEHXWWNKRBOQM-FQEVSTJZSA-N 0 0 309.778 3.273 1 0 DGAFRN C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](O)[C@@H]1[C@](C)(CO)CCC[C@@]13C)C[C@H]2O ZINC000025991286 182427992 /nfs/dbraw/zinc/42/79/92/182427992.db2.gz KORCKZPWMRIZPD-PEDXZBLOSA-N 0 0 322.489 3.113 1 0 DGAFRN CC[NH+](CC)CCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)[O-] ZINC000026024443 182429088 /nfs/dbraw/zinc/42/90/88/182429088.db2.gz YPHMXSFPUZZFGO-XFNCEPBJSA-N 0 0 324.465 3.019 1 0 DGAFRN O=C1C(Cc2ccccc2)N=C2C=NC(c3ccc(O)cc3)=CN12 ZINC000026394151 182440244 /nfs/dbraw/zinc/44/02/44/182440244.db2.gz IBKLAYXDXWCBRZ-UHFFFAOYSA-N 0 0 317.348 3.398 1 0 DGAFRN CCN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C1=O ZINC000026506192 182444393 /nfs/dbraw/zinc/44/43/93/182444393.db2.gz ZKXQMGSFLNBQON-KGLIPLIRSA-N 0 0 316.401 3.076 1 0 DGAFRN COc1nc2nc(C(=O)c3ccccc3)cn2c(C)c1CC1CC1 ZINC000028232136 182514368 /nfs/dbraw/zinc/51/43/68/182514368.db2.gz LXKHYUGJDHARKT-UHFFFAOYSA-N 0 0 321.380 3.230 1 0 DGAFRN Nc1c(Br)cccc1Nc1ncnc2ccncc21 ZINC000029133114 182553907 /nfs/dbraw/zinc/55/39/07/182553907.db2.gz YDNBYAXJHJQIHX-UHFFFAOYSA-N 0 0 316.162 3.113 1 0 DGAFRN NC(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1 ZINC000029135826 182554071 /nfs/dbraw/zinc/55/40/71/182554071.db2.gz PDPQOQQRPLUXKZ-UHFFFAOYSA-N 0 0 320.348 3.256 1 0 DGAFRN NC(=O)c1ccc2c(ccc3c2[C@H](c2ccccc2)CC(=O)O3)c1 ZINC000029151536 182554333 /nfs/dbraw/zinc/55/43/33/182554333.db2.gz YREPEFNWVMPUKT-INIZCTEOSA-N 0 0 317.344 3.380 1 0 DGAFRN COc1ccc(-n2ncc3c2-c2ccccc2NC(=O)C3)cc1 ZINC000028963932 182547926 /nfs/dbraw/zinc/54/79/26/182547926.db2.gz IVEPSYNBYPBKEE-UHFFFAOYSA-N 0 0 305.337 3.043 1 0 DGAFRN CNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c21 ZINC000035280333 182767189 /nfs/dbraw/zinc/76/71/89/182767189.db2.gz ZUOKDHCWCLGJBQ-UHFFFAOYSA-N 0 0 322.393 3.346 1 0 DGAFRN Fc1ccc(-c2nnnn2Cc2cccnc2)c(Cl)c1Cl ZINC000035846505 182789168 /nfs/dbraw/zinc/78/91/68/182789168.db2.gz PDNKNHYHFRICPY-UHFFFAOYSA-N 0 0 324.146 3.229 1 0 DGAFRN O=c1sc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000038259364 182996510 /nfs/dbraw/zinc/99/65/10/182996510.db2.gz QTCFTVGKPKHYJF-UHFFFAOYSA-N 0 0 305.362 3.485 1 0 DGAFRN Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000040429544 183065753 /nfs/dbraw/zinc/06/57/53/183065753.db2.gz XZTQLXWQWDMLEJ-GOSISDBHSA-N 0 0 318.376 3.463 1 0 DGAFRN CN(C)C(=O)N1Cc2c(F)cccc2[C@@H](c2cccc(O)c2)C1 ZINC000040764081 183130649 /nfs/dbraw/zinc/13/06/49/183130649.db2.gz OCIBJWHLBBHGGH-OAHLLOKOSA-N 0 0 314.360 3.160 1 0 DGAFRN Cc1ccc(-c2csc(NC(=O)N3CCOCC3)n2)c(C)c1 ZINC000040897234 183146938 /nfs/dbraw/zinc/14/69/38/183146938.db2.gz YNADRRKPZJGSNY-UHFFFAOYSA-N 0 0 317.414 3.291 1 0 DGAFRN Cc1ccc2ccc(C(=O)NCCc3ccccc3)c(O)c2n1 ZINC000040896959 183147346 /nfs/dbraw/zinc/14/73/46/183147346.db2.gz ZITYAYVXOSZTSD-UHFFFAOYSA-N 0 0 306.365 3.221 1 0 DGAFRN c1[nH]nc([C@@H]2CCCOC2)c1-c1ccnc(NC2CCCC2)n1 ZINC000040938961 183150104 /nfs/dbraw/zinc/15/01/04/183150104.db2.gz NHSDXYBXQGQSRA-GFCCVEGCSA-N 0 0 313.405 3.115 1 0 DGAFRN CNc1nc2sc(-c3ccc(F)cc3)nc2c2c1ncn2C ZINC000042964846 183324353 /nfs/dbraw/zinc/32/43/53/183324353.db2.gz MCWGUGKKHNUTER-UHFFFAOYSA-N 0 0 313.361 3.426 1 0 DGAFRN COc1ccc([C@@H]2Oc3cc(O)ccc3C[C@@H]2OC(C)=O)cc1 ZINC000045354264 183500124 /nfs/dbraw/zinc/50/01/24/183500124.db2.gz KKMZUGGPYSAXLM-ROUUACIJSA-N 0 0 314.337 3.009 1 0 DGAFRN COc1ccc(C2=NO[C@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000103274225 193925957 /nfs/dbraw/zinc/92/59/57/193925957.db2.gz HOOCFFKOUNMNCY-KRWDZBQOSA-N 0 0 311.337 3.486 1 0 DGAFRN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000105482330 194106591 /nfs/dbraw/zinc/10/65/91/194106591.db2.gz UJPILRQDXJVBHX-JLZSVDHQSA-N 0 0 303.446 3.036 1 0 DGAFRN O=C1[C@H]2CCCN2[C@H](c2cccnc2)N1c1cccc(Cl)c1 ZINC000049669383 183753221 /nfs/dbraw/zinc/75/32/21/183753221.db2.gz NNDRUMYBJGHLOC-CVEARBPZSA-N 0 0 313.788 3.245 3 0 DGAFRN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(O)cc2)N[C@@H]1c1ccc(O)cc1 ZINC000058482543 184119776 /nfs/dbraw/zinc/11/97/76/184119776.db2.gz NFDDAJSPVPMMDU-BMEPFDOTSA-N 0 0 311.381 3.325 1 0 DGAFRN CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061903677 184193996 /nfs/dbraw/zinc/19/39/96/184193996.db2.gz CQVQBHSYLNCNLC-INIZCTEOSA-N 0 0 309.793 3.145 3 0 DGAFRN CCOC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061903815 184194178 /nfs/dbraw/zinc/19/41/78/184194178.db2.gz MLUZGERHOZJINL-SFHVURJKSA-N 0 0 303.402 3.152 3 0 DGAFRN CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(OC(C)C)c1 ZINC000061907891 184194591 /nfs/dbraw/zinc/19/45/91/184194591.db2.gz HJJPWMKPHCKGPE-SFHVURJKSA-N 0 0 318.417 3.203 3 0 DGAFRN CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000061908921 184194719 /nfs/dbraw/zinc/19/47/19/184194719.db2.gz IRSNSXMDBUHJKX-HNNXBMFYSA-N 0 0 313.756 3.037 3 0 DGAFRN CCOC(=O)[C@]1(C)CCCCN1C(=O)c1cccc(Cl)c1 ZINC000061927111 184196141 /nfs/dbraw/zinc/19/61/41/184196141.db2.gz YQONLPSNXOFYFP-INIZCTEOSA-N 0 0 309.793 3.288 3 0 DGAFRN C=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(OC)cc1 ZINC000064502297 184298842 /nfs/dbraw/zinc/29/88/42/184298842.db2.gz YPVYSEWQJYCDNL-UHFFFAOYSA-N 0 0 313.254 3.234 1 0 DGAFRN Cc1nc(NC(=O)c2ccccc2O)sc1Br ZINC000064499435 184298854 /nfs/dbraw/zinc/29/88/54/184298854.db2.gz QLACOYDKZCFUTE-UHFFFAOYSA-N 0 0 313.176 3.172 1 0 DGAFRN Cc1cc(NC(=O)NC(=O)Nc2ccccc2)c2ccccc2n1 ZINC000064540046 184299264 /nfs/dbraw/zinc/29/92/64/184299264.db2.gz IZHRDRQMYNFXKI-UHFFFAOYSA-N 0 0 320.352 3.319 1 0 DGAFRN CC(C)(C)c1ccc(-n2c(=O)oc3ccc(F)cc3c2=O)cc1 ZINC000064549978 184299602 /nfs/dbraw/zinc/29/96/02/184299602.db2.gz OLBPVQDNUJVZTM-UHFFFAOYSA-N 0 0 313.328 3.381 1 0 DGAFRN Cc1ccc(-n2nc(Nc3cc[nH]n3)c3ccccc3c2=O)cc1 ZINC000066099900 184389153 /nfs/dbraw/zinc/38/91/53/184389153.db2.gz CYIVQMRMONWPKP-UHFFFAOYSA-N 0 0 317.352 3.161 1 0 DGAFRN O=C1c2cc(Br)ccc2S(=O)N1c1ccccc1 ZINC000066165865 184394796 /nfs/dbraw/zinc/39/47/96/184394796.db2.gz AFELPQKOPQDMHC-UHFFFAOYSA-N 0 0 322.183 3.132 1 0 DGAFRN CC1(C)CC[C@@H](O)[C@]2(C)[C@H]3CC[C@](C)([C@H](O)CO)CC3=CC[C@@H]12 ZINC000033830124 560088884 /nfs/dbraw/zinc/08/88/84/560088884.db2.gz RMRLASQFTPYVGV-YGPNDZQQSA-N 0 0 322.489 3.280 1 0 biogenic,in-vitro DGAFRN NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc21 ZINC000013834536 581100578 /nfs/dbraw/zinc/10/05/78/581100578.db2.gz NTGUQSZMGNQYBK-UHFFFAOYSA-N 0 0 305.259 3.348 1 0 DGAFRN O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)c2ccccc21 ZINC000028818106 581101515 /nfs/dbraw/zinc/10/15/15/581101515.db2.gz JLDZTKAOOLXEIR-UHFFFAOYSA-N 0 0 305.289 3.052 1 0 DGAFRN CC(C)C(=O)NCc1cc(-c2ccc(Br)cc2)no1 ZINC000095555532 185379595 /nfs/dbraw/zinc/37/95/95/185379595.db2.gz HEAWXQAZHIEAAG-UHFFFAOYSA-N 0 0 323.190 3.376 1 0 DGAFRN COc1cc(/C=C/C(=O)N2[C@@H](C)CCC[C@@H]2C)cc2c1OCO2 ZINC000095564065 185380264 /nfs/dbraw/zinc/38/02/64/185380264.db2.gz UPWNLKGDKSJRTN-FVWNJDPFSA-N 0 0 317.385 3.227 1 0 DGAFRN CCCCc1nc2c(N)nccn2c1Nc1ccc(OC)cc1 ZINC000095576885 185380794 /nfs/dbraw/zinc/38/07/94/185380794.db2.gz BINSGDKAPIALIJ-UHFFFAOYSA-N 0 0 311.389 3.406 1 0 DGAFRN O=C1O[C@@]2(Oc3cc4ccccc4cc3C2=O)c2ccccc21 ZINC000095591587 185382072 /nfs/dbraw/zinc/38/20/72/185382072.db2.gz ASOLDTJEIDZYPT-IBGZPJMESA-N 0 0 302.285 3.438 1 0 DGAFRN Cn1cc([C@]2(O)C(=O)Nc3cccc(Cl)c32)c2ccccc21 ZINC000095599638 185382281 /nfs/dbraw/zinc/38/22/81/185382281.db2.gz VTDGUPWEALZNNR-QGZVFWFLSA-N 0 0 312.756 3.020 3 0 DGAFRN COCO[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1 ZINC000082158395 185173978 /nfs/dbraw/zinc/17/39/78/185173978.db2.gz UGGLYQWQTKDJNR-OALUTQOASA-N 0 0 323.396 3.424 1 0 DGAFRN CCC(=O)Nc1nc2c(s1)CCc1cc(OC)c(OC)cc1-2 ZINC000096906402 185390685 /nfs/dbraw/zinc/39/06/85/185390685.db2.gz QWLRKCUQRZJOCI-UHFFFAOYSA-N 0 0 318.398 3.274 1 0 DGAFRN CC1(C)Cc2ccc(-c3cncnc3)cc2[C@]12C=C(F)C(=N)N2 ZINC000096916931 185391446 /nfs/dbraw/zinc/39/14/46/185391446.db2.gz ORILNYIQHJPETP-GOSISDBHSA-N 0 0 308.360 3.355 1 0 DGAFRN O=C(c1[nH]c2nc[nH]c(=O)c2c1-c1ccccc1)c1ccccc1 ZINC000096921511 185391879 /nfs/dbraw/zinc/39/18/79/185391879.db2.gz ARJLZJPWSUFOEH-UHFFFAOYSA-N 0 0 315.332 3.149 1 0 DGAFRN COc1cc2c(cc1[C@@H](C)N1CCOCC1)C=CC(C)(C)O2 ZINC000096932097 185392479 /nfs/dbraw/zinc/39/24/79/185392479.db2.gz BJWXLQKAIILLGS-CYBMUJFWSA-N 0 0 303.402 3.273 1 0 DGAFRN COc1c(I)cc(C=O)c2ccccc21 ZINC000169338268 197743212 /nfs/dbraw/zinc/74/32/12/197743212.db2.gz YZBDTDDJLMKGKE-UHFFFAOYSA-N 0 0 312.106 3.266 1 0 DGAFRN COC(=O)c1cc2c(cc(N)cc2OCC2CCCCC2)[nH]1 ZINC000169350459 197745154 /nfs/dbraw/zinc/74/51/54/197745154.db2.gz ZMDDRZYZTBOIPE-UHFFFAOYSA-N 0 0 302.374 3.496 1 0 DGAFRN Nc1nc2cccnc2n1C[C@@H](O)c1cccc(Cl)c1Cl ZINC000169351111 197745453 /nfs/dbraw/zinc/74/54/53/197745453.db2.gz IKURNPPRPBOJIH-LLVKDONJSA-N 0 0 323.183 3.054 1 0 DGAFRN Fc1ccc(Nc2ncnc(Nc3ccc4c[nH]nc4c3)n2)cc1 ZINC000063540101 190697638 /nfs/dbraw/zinc/69/76/38/190697638.db2.gz WQCPTQKPKSAWSP-UHFFFAOYSA-N 0 0 321.319 3.374 1 0 DGAFRN Cc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(N)=O)c1 ZINC000072173367 191069974 /nfs/dbraw/zinc/06/99/74/191069974.db2.gz UBLSMSSEGYLFLQ-VMPITWQZSA-N 0 0 314.772 3.399 1 0 DGAFRN O[C@@](c1nccs1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000072186086 191073737 /nfs/dbraw/zinc/07/37/37/191073737.db2.gz DRDHVXRGOATDOK-HNNXBMFYSA-N 0 0 302.786 3.476 1 0 DGAFRN COc1ccc2c(c1)C[C@H]1c3cc4c(cc3CCN1C2)OCO4 ZINC000084726854 192461151 /nfs/dbraw/zinc/46/11/51/192461151.db2.gz JSCUCCUETPUNRT-KRWDZBQOSA-N 0 0 309.365 3.079 1 0 DGAFRN CCCCn1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccnc21 ZINC000072322810 191121624 /nfs/dbraw/zinc/12/16/24/191121624.db2.gz MDBZDDXPDWOLOC-KBPBESRZSA-N 0 0 315.417 3.086 2 0 DGAFRN COC(=O)[C@@]1(Cc2ccccc2)Cc2cc3c(cc2[C@H]1O)CCC3 ZINC000001646163 180883602 /nfs/dbraw/zinc/88/36/02/180883602.db2.gz XJJSHDYELSHBIX-CTNGQTDRSA-N 0 0 322.404 3.167 1 0 DGAFRN Cc1cc2c(c(C)c1)[C@@](O)(c1ccc(Cl)cc1)N1CCN=C21 ZINC000001662060 180885170 /nfs/dbraw/zinc/88/51/70/180885170.db2.gz JHOCWSUEYIATGH-SFHVURJKSA-N 0 0 312.800 3.226 1 0 DGAFRN O=C(COc1ccc(-n2ccnc2)cc1)Nc1cccc(F)c1 ZINC000003337743 181007586 /nfs/dbraw/zinc/00/75/86/181007586.db2.gz UAKPQBPUWBSSHF-UHFFFAOYSA-N 0 0 311.316 3.029 3 0 DGAFRN Cc1cc2ccccc2c(=O)n1CC(=O)NC1CCCCCC1 ZINC000003654760 181044342 /nfs/dbraw/zinc/04/43/42/181044342.db2.gz DNFWEDLFCSVKKN-UHFFFAOYSA-N 0 0 312.413 3.149 3 0 DGAFRN Cn1cc(-c2noc([C@@H]3CC4CCN3CC4)n2)c2ccccc21 ZINC000003776325 181045084 /nfs/dbraw/zinc/04/50/84/181045084.db2.gz PHIZCFQTLFZISF-INIZCTEOSA-N 0 0 308.385 3.385 1 0 DGAFRN CC(C)c1ccc2c(c1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 ZINC000003779503 181045558 /nfs/dbraw/zinc/04/55/58/181045558.db2.gz WFFMKAZBIVFQKR-SJORKVTESA-N 0 0 303.402 3.005 1 0 DGAFRN CC1(C)SC(c2cc(Cl)ccc2N)=NN1C(=O)C1CC1 ZINC000073278999 191299805 /nfs/dbraw/zinc/29/98/05/191299805.db2.gz AVSLEVRGBLDVTH-UHFFFAOYSA-N 0 0 309.822 3.305 1 0 DGAFRN COCCc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 ZINC000073313610 191303321 /nfs/dbraw/zinc/30/33/21/191303321.db2.gz CBNPKMPNAALYPK-UHFFFAOYSA-N 0 0 317.780 3.019 1 0 DGAFRN O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)=N1 ZINC000073351302 191308585 /nfs/dbraw/zinc/30/85/85/191308585.db2.gz ZJSPQEYXVVTWGL-INIZCTEOSA-N 0 0 321.405 3.467 1 0 DGAFRN O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(F)cc1 ZINC000004870088 181166929 /nfs/dbraw/zinc/16/69/29/181166929.db2.gz WSFZGISQYONOQR-YNEHKIRRSA-N 0 0 305.349 3.134 1 0 DGAFRN O=C1c2ccccc2[C@@H](Nc2cccnc2)N1c1ccccn1 ZINC000004916101 181172433 /nfs/dbraw/zinc/17/24/33/181172433.db2.gz YOECPTKCMGORAX-KRWDZBQOSA-N 0 0 302.337 3.248 1 0 DGAFRN COc1ccc(-c2cccc(NC(=O)c3cccs3)c2)nn1 ZINC000005259500 181222969 /nfs/dbraw/zinc/22/29/69/181222969.db2.gz WDNWZNLYSQRAEY-UHFFFAOYSA-N 0 0 311.366 3.466 3 0 DGAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1n[nH]nc12 ZINC000005503644 181250489 /nfs/dbraw/zinc/25/04/89/181250489.db2.gz BZPYOPXMDGFZDN-NRNRTASOSA-N 0 0 313.445 3.142 1 0 DGAFRN COc1cc2[nH]c(-c3cccc(N(C)C)c3)cc(=O)c2cc1OC ZINC000005502601 181250644 /nfs/dbraw/zinc/25/06/44/181250644.db2.gz PJWSCEXBDGWQOM-UHFFFAOYSA-N 0 0 324.380 3.278 1 0 DGAFRN O=C1N=C2Nc3ccccc3C(=O)N2C1=Cc1ccc(Cl)cc1 ZINC000005823127 181286993 /nfs/dbraw/zinc/28/69/93/181286993.db2.gz AZBWKYULZOAEOJ-NTEUORMPSA-N 0 0 323.739 3.145 1 0 DGAFRN CCc1cc(CCc2nc3c(cccc3F)o2)c(=O)[nH]c1C ZINC000005887037 181292809 /nfs/dbraw/zinc/29/28/09/181292809.db2.gz PHPHYTVUIHUSDY-UHFFFAOYSA-N 0 0 300.333 3.311 1 0 DGAFRN Cc1cccnc1N1C(=O)CS[C@@H]1c1c(F)cccc1F ZINC000005931433 181297226 /nfs/dbraw/zinc/29/72/26/181297226.db2.gz APUDFQUXQNVUPA-OAHLLOKOSA-N 0 0 306.337 3.447 1 0 DGAFRN CN1c2ncc(Cl)cc2N(C2CC2)c2ncccc2C1=O ZINC000006481341 181344267 /nfs/dbraw/zinc/34/42/67/181344267.db2.gz MNNLOWFHFHAOLD-UHFFFAOYSA-N 0 0 300.749 3.021 1 0 DGAFRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000006482784 181344351 /nfs/dbraw/zinc/34/43/51/181344351.db2.gz UJPILRQDXJVBHX-USOAJAOKSA-N 0 0 303.446 3.036 1 0 DGAFRN O=C1c2ccccc2S[C@@](O)(c2ccccc2)[C@@H]2CCCN12 ZINC000006582278 181356926 /nfs/dbraw/zinc/35/69/26/181356926.db2.gz NOBKWXHTKUURTH-WMZOPIPTSA-N 0 0 311.406 3.242 1 0 DGAFRN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCCC1 ZINC000006807068 181392542 /nfs/dbraw/zinc/39/25/42/181392542.db2.gz JRUSQVWGKHYSBI-UHFFFAOYSA-N 0 0 320.396 3.207 1 0 DGAFRN O=C(NCCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1 ZINC000095592329 193445951 /nfs/dbraw/zinc/44/59/51/193445951.db2.gz DWGJNYSMPHRXBP-UHFFFAOYSA-N 0 0 306.369 3.441 1 0 DGAFRN Cc1cccc(C(C)(C)C)c1NC(=O)CCC1N=NC(=S)N1 ZINC000017191791 182079326 /nfs/dbraw/zinc/07/93/26/182079326.db2.gz XHKIYRGTEHSTSI-UHFFFAOYSA-N 0 0 318.446 3.271 1 0 DGAFRN CN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 ZINC000017315398 182082903 /nfs/dbraw/zinc/08/29/03/182082903.db2.gz MICZNRRTCUCNTP-PRGRDSRZSA-N 0 0 303.446 3.336 1 0 DGAFRN CC(C)c1ccc(CNc2nn3c(nc4c(c3=O)CCC4)[nH]2)cc1 ZINC000018221935 182099480 /nfs/dbraw/zinc/09/94/80/182099480.db2.gz YTWPMPOUOJMNLI-UHFFFAOYSA-N 0 0 323.400 3.054 1 0 DGAFRN C[C@@H]1CN(Cc2cn(C)nc2-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000020204490 182197522 /nfs/dbraw/zinc/19/75/22/182197522.db2.gz QCPWGIXPTOMLFO-BETUJISGSA-N 0 0 319.836 3.350 3 0 DGAFRN COc1cccc(-c2noc(N3CCc4ccccc43)n2)c1OC ZINC000021630728 182281428 /nfs/dbraw/zinc/28/14/28/182281428.db2.gz MXVFMTKCBPKCOE-UHFFFAOYSA-N 0 0 323.352 3.448 1 0 DGAFRN CN1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925219 182341447 /nfs/dbraw/zinc/34/14/47/182341447.db2.gz FNXVFVIKVBLUPH-HNNXBMFYSA-N 0 0 317.433 3.081 1 0 DGAFRN COc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)cc1 ZINC000023580994 182363929 /nfs/dbraw/zinc/36/39/29/182363929.db2.gz MPDCZFZFPQMBGO-CQSZACIVSA-N 0 0 313.401 3.057 1 0 DGAFRN COc1ccc2c(c1)c1c(n2C)CC[C@]2(O)c3ccccc3[C@H]12 ZINC000026574373 182446872 /nfs/dbraw/zinc/44/68/72/182446872.db2.gz ZLYKLHSUHRXEBO-UXHICEINSA-N 0 0 305.377 3.466 1 0 DGAFRN COC(=O)Nc1nc2cc(C(=O)c3cccs3)cc(C)c2[nH]1 ZINC000027409282 182471488 /nfs/dbraw/zinc/47/14/88/182471488.db2.gz DCSRLGCQUZVJSQ-UHFFFAOYSA-N 0 0 315.354 3.342 1 0 DGAFRN CCCCc1ccc(C2=C(Br)C(=O)O[C@@H]2O)cc1 ZINC000028639377 182532572 /nfs/dbraw/zinc/53/25/72/182532572.db2.gz VPTGTFGIWCJKKW-ZDUSSCGKSA-N 0 0 311.175 3.010 1 0 DGAFRN O=C(c1ccc(C(=O)N2CCc3ccccc32)s1)C(F)F ZINC000029069581 182551022 /nfs/dbraw/zinc/55/10/22/182551022.db2.gz WZGNPOPOCGTSMZ-UHFFFAOYSA-N 0 0 307.321 3.399 1 0 DGAFRN Cc1cnc2c(NCCO)nc3cc(-c4ccccc4)sc3n12 ZINC000028950756 182546206 /nfs/dbraw/zinc/54/62/06/182546206.db2.gz LCYRJHRJWGQPDO-UHFFFAOYSA-N 0 0 324.409 3.324 1 0 DGAFRN O=C1Cc2cnn(-c3ccc(F)cc3F)c2-c2ccccc2N1 ZINC000028963979 182547765 /nfs/dbraw/zinc/54/77/65/182547765.db2.gz WRVCLSBRCZVMEL-UHFFFAOYSA-N 0 0 311.291 3.312 1 0 DGAFRN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)OC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000029404801 182564501 /nfs/dbraw/zinc/56/45/01/182564501.db2.gz VJETXRIBTFXKJF-GBHAUCNQSA-N 0 0 304.430 3.463 1 0 DGAFRN O=c1oc2ccccc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 ZINC000033816205 182722748 /nfs/dbraw/zinc/72/27/48/182722748.db2.gz DWKGKUSUIKZFHR-UHFFFAOYSA-N 0 0 322.147 3.310 1 0 DGAFRN O=c1[nH]cnc2[nH]c(-c3ccnc(-c4cccc(F)c4)c3)cc21 ZINC000035286116 182766869 /nfs/dbraw/zinc/76/68/69/182766869.db2.gz MRYUNVHMZVASDV-UHFFFAOYSA-N 0 0 306.300 3.119 1 0 DGAFRN CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1cccc(Cl)c1 ZINC000038841153 183011363 /nfs/dbraw/zinc/01/13/63/183011363.db2.gz RVQHSJOQTPWKBX-AWEZNQCLSA-N 0 0 308.809 3.460 1 0 DGAFRN CC(C)S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000040380072 183058913 /nfs/dbraw/zinc/05/89/13/183058913.db2.gz OZDKHAFOVQWSGP-UHFFFAOYSA-N 0 0 318.398 3.089 1 0 DGAFRN CO[C@H]1/C=C(/C)Cc2occ(C)c2C(=O)[C@@H](OC(C)=O)[C@H](C)C1 ZINC000040414422 183063721 /nfs/dbraw/zinc/06/37/21/183063721.db2.gz DCFSJMWNJKXQCQ-KLSNRICVSA-N 0 0 320.385 3.246 1 0 DGAFRN COc1cc(OC)cc(N(C)c2ncnc3ccsc32)c1 ZINC000040429746 183065712 /nfs/dbraw/zinc/06/57/12/183065712.db2.gz YDMBAINZEPDIAJ-UHFFFAOYSA-N 0 0 301.371 3.476 1 0 DGAFRN COc1ccc(C2=C(c3c[nH]c4ccccc43)C(=O)NC2)cc1 ZINC000040845980 183141146 /nfs/dbraw/zinc/14/11/46/183141146.db2.gz XIOUIJRUBUIKSA-UHFFFAOYSA-N 0 0 304.349 3.217 1 0 DGAFRN CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000040860146 183143285 /nfs/dbraw/zinc/14/32/85/183143285.db2.gz QHRYOTPPIXQUBM-BBRMVZONSA-N 0 0 322.426 3.204 1 0 DGAFRN O[C@@]1(Cc2cccc3ccccc32)c2ccccc2C2=NCCN21 ZINC000040762884 183130474 /nfs/dbraw/zinc/13/04/74/183130474.db2.gz AZVCONJLWOKSSR-NRFANRHFSA-N 0 0 314.388 3.303 1 0 DGAFRN c1ccc2c(c1)OC1(CCOCC1)N1N=C(c3ccncc3)C[C@@H]21 ZINC000040762663 183130618 /nfs/dbraw/zinc/13/06/18/183130618.db2.gz BALNQJFYGMDNGN-KRWDZBQOSA-N 0 0 321.380 3.132 1 0 DGAFRN Cc1ccc2c(c1C)CN(S(C)(=O)=O)C[C@@H]2c1ccccc1 ZINC000040762779 183130680 /nfs/dbraw/zinc/13/06/80/183130680.db2.gz GQVAAGPDZYINJD-GOSISDBHSA-N 0 0 315.438 3.211 1 0 DGAFRN O=C([O-])c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000040952949 183150573 /nfs/dbraw/zinc/15/05/73/183150573.db2.gz QXAHOCVRJICIGL-UHFFFAOYSA-N 0 0 321.376 3.331 1 0 DGAFRN Cc1csc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1 ZINC000040973849 183153309 /nfs/dbraw/zinc/15/33/09/183153309.db2.gz QYFIQRSFZFEVOJ-UHFFFAOYSA-N 0 0 322.393 3.458 1 0 DGAFRN CSc1nc([C@@H](O)c2ccc(Br)cc2)co1 ZINC000040979940 183154405 /nfs/dbraw/zinc/15/44/05/183154405.db2.gz MYIQDTLYSYYMGV-JTQLQIEISA-N 0 0 300.177 3.241 1 0 DGAFRN COC(=O)NCCC[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000043065746 183333254 /nfs/dbraw/zinc/33/32/54/183333254.db2.gz QESMTMDLEUQBEY-GFCCVEGCSA-N 0 0 317.389 3.180 1 0 DGAFRN O=c1cc(-c2ccc3ccccc3n2)[nH]c2cc3c(cc12)OCO3 ZINC000043073379 183334266 /nfs/dbraw/zinc/33/42/66/183334266.db2.gz YZRNBKDBYRGJFX-UHFFFAOYSA-N 0 0 316.316 3.472 1 0 DGAFRN c1ccc2[nH]c(SCc3nnc(-c4cccnc4)o3)nc2c1 ZINC000049115385 183713945 /nfs/dbraw/zinc/71/39/45/183713945.db2.gz YBEGRMXIRQDCBL-UHFFFAOYSA-N 0 0 309.354 3.300 1 0 DGAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccccc2)cc1 ZINC000057011004 184024340 /nfs/dbraw/zinc/02/43/40/184024340.db2.gz ZGQBTLULUDGFNF-QZTJIDSGSA-N 0 0 308.381 3.205 3 0 DGAFRN CC(=O)Nc1ncnc2[nH]c(-c3ccc4ccccc4c3)nc21 ZINC000058603217 184124593 /nfs/dbraw/zinc/12/45/93/184124593.db2.gz CGKPFFOMJHACAR-UHFFFAOYSA-N 0 0 303.325 3.132 1 0 DGAFRN Cc1ccc(NC(=O)[C@@]2(C)CCN2CCc2ccccc2)cc1O ZINC000061908957 184194608 /nfs/dbraw/zinc/19/46/08/184194608.db2.gz ZLMKYGLKPSTTTA-HXUWFJFHSA-N 0 0 324.424 3.346 3 0 DGAFRN C[C@H]1CN([S@](=O)C(C)(C)C)[C@H](CCO)/C1=C\c1ccccc1 ZINC000061943284 184198135 /nfs/dbraw/zinc/19/81/35/184198135.db2.gz UDSDLWCITKWWHE-IMURRAJRSA-N 0 0 321.486 3.235 3 0 DGAFRN COc1ccc([C@@H](C)O)cc1-c1cc(OC)c(OC)c(OC)c1 ZINC000064574004 184300666 /nfs/dbraw/zinc/30/06/66/184300666.db2.gz YRWZORVBMXAJEJ-LLVKDONJSA-N 0 0 318.369 3.441 1 0 DGAFRN COC(=O)c1ccc2cc([C@@](O)(c3c[nH]cn3)C(C)C)ccc2c1 ZINC000066077622 184387291 /nfs/dbraw/zinc/38/72/91/184387291.db2.gz RRHVEQWMOKQMRJ-LJQANCHMSA-N 0 0 324.380 3.241 1 0 DGAFRN CC(C)Cc1nn(-c2ccccc2)cc1C1N=NC(=S)O1 ZINC000066100681 184389008 /nfs/dbraw/zinc/38/90/08/184389008.db2.gz UABLQOLXOJMIFS-UHFFFAOYSA-N 0 0 300.387 3.410 1 0 DGAFRN COc1cc2nc(NCC3CCCCC3)nc(N)c2cc1OC ZINC000082132057 431804649 /nfs/dbraw/zinc/80/46/49/431804649.db2.gz BYXFYBCDJBFCKQ-UHFFFAOYSA-N 0 0 316.405 3.221 1 0 DGAFRN CO[C@H]1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C\1C ZINC000085567859 294487396 /nfs/dbraw/zinc/48/73/96/294487396.db2.gz BYWWNDLILWPPJP-DCFDRJDVSA-N 0 0 308.418 3.173 1 0 DGAFRN COc1cccc([C@H](C)Nc2cc(-c3ccncc3)nc(C)n2)c1 ZINC000367222001 434543752 /nfs/dbraw/zinc/54/37/52/434543752.db2.gz WNKSHMMKHZKFKA-ZDUSSCGKSA-N 0 0 320.396 4.029 1 0 DGAFRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1nnc(C)s1 ZINC000023398717 295259092 /nfs/dbraw/zinc/25/90/92/295259092.db2.gz IFWIDBABMJDVLS-ZDUSSCGKSA-N 0 0 318.402 3.054 1 0 DGAFRN FC(F)(F)C1(C(F)(F)F)[C@H]2C=C[C@H](C2)N1c1ncccn1 ZINC000015109480 303111813 /nfs/dbraw/zinc/11/18/13/303111813.db2.gz AKOOSSRAIBCESU-JGVFFNPUSA-N 0 0 309.213 3.105 2 0 DGAFRN O=C1OCC(Cc2ccc(O)cc2)=C1CCc1cccc(O)c1 ZINC000085645043 560067228 /nfs/dbraw/zinc/06/72/28/560067228.db2.gz OXGHQCGGLHPGKV-UHFFFAOYSA-N 0 0 310.349 3.127 1 0 biogenic,in-vitro DGAFRN COc1ccc2c(c1)OC[C@@H](c1ccc(OC)c(OC)c1O)C2 ZINC000014758755 560225525 /nfs/dbraw/zinc/22/55/25/560225525.db2.gz BLHQCBJSTMDZQA-LBPRGKRZSA-N 0 0 316.353 3.137 1 0 biogenic,in-vitro DGAFRN COc1cc(O)cc(/C=C/c2ccc(O)c(OC)c2OC)c1 ZINC000015113734 560228378 /nfs/dbraw/zinc/22/83/78/560228378.db2.gz VACLJIVMBBSOOR-SNAWJCMRSA-N 0 0 302.326 3.294 1 0 in-vitro DGAFRN COc1ccc2c(c1OC)O[C@H](c1ccc(O)cc1)CC2=O ZINC000014806951 571723973 /nfs/dbraw/zinc/72/39/73/571723973.db2.gz JICUYFPHCQPXNY-HNNXBMFYSA-N 0 0 300.310 3.116 1 0 endogenous,in-man DGAFRN