smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[C@@H](C)CCOC(C)=O 145507991 573258612 /nfs/dbraw/zinc/25/86/12/573258612.db2.gz NCHJIJCRXQRDGU-VIFPVBQESA-N 0 0 186.295 3.012 1 0 AGAFRN C[C@]12CC[C@H]3[C@H](CCC[C@@]3(C)O1)C2 85543412 560071020 /nfs/dbraw/zinc/07/10/20/560071020.db2.gz CTVUDIRPRIHMEZ-WRWGMCAJSA-N 0 0 180.291 3.134 1 0 biogenic,in-vitro AGAFRN CC(C)C1=CC[C@@H](C)C=C1 59587954 560082676 /nfs/dbraw/zinc/08/26/76/560082676.db2.gz AAIXZDBTEWDLSG-VIFPVBQESA-N 0 0 136.238 3.165 1 0 endogenous,in-man AGAFRN CC(=O)OCC1=C(C)CCCC1(C)C 32162048 560089356 /nfs/dbraw/zinc/08/93/56/560089356.db2.gz FTIUTTJEFHWCSA-UHFFFAOYSA-N 0 0 196.290 3.076 1 0 biogenic,in-vitro AGAFRN CC(C)=CC[C@H](O)[C@H]1CC=C(C)CC1 3978623 560192756 /nfs/dbraw/zinc/19/27/56/560192756.db2.gz ZMPSDWUBPIOGKA-STQMWFEESA-N 0 0 194.318 3.450 1 0 in-vitro AGAFRN CC(C)=CC[C@H](O)[C@@H]1CC=C(C)CC1 3978624 560192763 /nfs/dbraw/zinc/19/27/63/560192763.db2.gz ZMPSDWUBPIOGKA-OLZOCXBDSA-N 0 0 194.318 3.450 1 0 in-vitro AGAFRN Cc1cncc(-c2cscc2C)c1 28121998 1169066588 /nfs/dbraw/zinc/06/65/88/1169066588.db2.gz QDWDDWVYMAMPHH-UHFFFAOYSA-N 0 0 189.283 3.427 1 0 AGAFRN CN(C)c1cccc(-c2ccccc2)c1 39331367 1169087881 /nfs/dbraw/zinc/08/78/81/1169087881.db2.gz OJDQXDNHWPIWAK-UHFFFAOYSA-N 0 0 197.281 3.420 1 0 AGAFRN CCCc1ccc(C)c(C)c1 88248082 1169127057 /nfs/dbraw/zinc/12/70/57/1169127057.db2.gz FZJVYOOQGFZCSY-UHFFFAOYSA-N 0 0 148.249 3.256 1 0 AGAFRN CC1=CCC(C)(C)CC1 111339824 1169145194 /nfs/dbraw/zinc/14/51/94/1169145194.db2.gz VUWMEDZMVLUYQB-UHFFFAOYSA-N 0 0 124.227 3.143 1 0 AGAFRN CCCc1cccc(C)c1C 114187277 1169150961 /nfs/dbraw/zinc/15/09/61/1169150961.db2.gz IRUSTUOJENXLMN-UHFFFAOYSA-N 0 0 148.249 3.256 1 0 AGAFRN CC(C)[C@H]1CC[C@H]2CC(=O)CC[C@@H]2C1 2573801 571683016 /nfs/dbraw/zinc/68/30/16/571683016.db2.gz HEKJOMVJRYMUDB-TUAOUCFPSA-N 0 0 194.318 3.428 1 0 endogenous,in-man AGAFRN C[C@H]1CCC[C@]2(C)CCCC[C@@]12O 2585474 571683405 /nfs/dbraw/zinc/68/34/05/571683405.db2.gz JLPUXFOGCDVKGO-SDDRHHMPSA-N 0 0 182.307 3.118 1 0 endogenous,in-man AGAFRN CC(C)[C@H]1CC[C@@H]2CC(=O)CC[C@@H]2C1 5761430 571689217 /nfs/dbraw/zinc/68/92/17/571689217.db2.gz HEKJOMVJRYMUDB-QJPTWQEYSA-N 0 0 194.318 3.428 1 0 endogenous,in-man AGAFRN C/C=C/CCC(=O)OCC/C=C\CC 14438725 571705878 /nfs/dbraw/zinc/70/58/78/571705878.db2.gz WGKGNHCLNHFGQO-GUBXDBFYSA-N 0 0 196.290 3.242 1 0 endogenous,in-man AGAFRN C[C@H]1CCC[C@@]2(C)CCCC[C@@]12O 15253565 571737618 /nfs/dbraw/zinc/73/76/18/571737618.db2.gz JLPUXFOGCDVKGO-QJPTWQEYSA-N 0 0 182.307 3.118 1 0 endogenous,in-man AGAFRN CC(C)=C/C=C\C(C)C 78954729 571781107 /nfs/dbraw/zinc/78/11/07/571781107.db2.gz HQTKNGJJNNTBLG-WAYWQWQTSA-N 0 0 124.227 3.165 1 0 endogenous,in-man AGAFRN CC1=CCCC(=C(C)C)C1 86034077 571793871 /nfs/dbraw/zinc/79/38/71/571793871.db2.gz WPOQYXKDKVBMSB-UHFFFAOYSA-N 0 0 136.238 3.453 1 0 endogenous,in-man AGAFRN C=C/C(C)=C/C/C=C(\C)COC(C)=O 95620471 571799305 /nfs/dbraw/zinc/79/93/05/571799305.db2.gz RNKUOBQYBVPNSU-AMMQDNIMSA-N 0 0 194.274 3.018 1 0 endogenous,in-man AGAFRN CC(C)=CCC[C@@H](C)[C@@H]1OC[C@@H](C)O1 100776193 571821715 /nfs/dbraw/zinc/82/17/15/571821715.db2.gz UVCDCGGGCGCIRU-IJLUTSLNSA-N 0 0 198.306 3.130 1 0 endogenous,in-man AGAFRN CC(C)=CCC[C@@H](C)[C@H]1OC[C@@H](C)O1 100776194 571821725 /nfs/dbraw/zinc/82/17/25/571821725.db2.gz UVCDCGGGCGCIRU-UTUOFQBUSA-N 0 0 198.306 3.130 1 0 endogenous,in-man AGAFRN CC(C)[C@H]1CC[C@@H](C)[C@@H]1C 100778610 571828468 /nfs/dbraw/zinc/82/84/68/571828468.db2.gz MKEWIKKSNRXXFU-KXUCPTDWSA-N 0 0 140.270 3.325 1 0 endogenous,in-man AGAFRN CC(C)[C@H]1CC[C@H](C)[C@@H]1C 100778614 571828462 /nfs/dbraw/zinc/82/84/62/571828462.db2.gz MKEWIKKSNRXXFU-LPEHRKFASA-N 0 0 140.270 3.325 1 0 endogenous,in-man AGAFRN C[C@@H]1CC[C@H]2C[C@@H]1SC2(C)C 6031128 571855958 /nfs/dbraw/zinc/85/59/58/571855958.db2.gz FAXNZPOZWCWYBD-VGMNWLOBSA-N 0 0 170.321 3.317 1 0 endogenous,in-man AGAFRN C[C@H]1CCCCCCCCCC(=O)O1 14449133 572004412 /nfs/dbraw/zinc/00/44/12/572004412.db2.gz IBLSRZGJYAOPLB-NSHDSACASA-N 0 0 198.306 3.443 1 0 AGAFRN CC(C)[C@@H]1CC[C@@H](C)[C@@H]1C 100778608 572177477 /nfs/dbraw/zinc/17/74/77/572177477.db2.gz MKEWIKKSNRXXFU-UTLUCORTSA-N 0 0 140.270 3.325 1 0 endogenous,in-man AGAFRN CC(C)[C@@H]1CC[C@H](C)[C@@H]1C 100778613 572179311 /nfs/dbraw/zinc/17/93/11/572179311.db2.gz MKEWIKKSNRXXFU-GUBZILKMSA-N 0 0 140.270 3.325 1 0 endogenous,in-man AGAFRN CC12CCC(CC1)C(C)(C)COC2 39432324 572367420 /nfs/dbraw/zinc/36/74/20/572367420.db2.gz PSMFFFUWSMZAPB-UHFFFAOYSA-N 0 0 182.307 3.239 1 0 AGAFRN CCCC/C=C\C=C\CCCCO 33841450 573790305 /nfs/dbraw/zinc/79/03/05/573790305.db2.gz JUDKGQZMLJXRJX-IGTJQSIKSA-N 0 0 182.307 3.452 1 0 AGAFRN CC/C=C\C/C=C\C=C\C(=O)OCC 13433792 574413263 /nfs/dbraw/zinc/41/32/63/574413263.db2.gz KRCQDQXKPOKJOE-GCTHIBTKSA-N 0 0 194.274 3.018 1 0 endogenous,in-man AGAFRN CC(C)[C@@H]1CC[C@H](C)[C@H]1C 85947594 574416881 /nfs/dbraw/zinc/41/68/81/574416881.db2.gz MKEWIKKSNRXXFU-AEJSXWLSSA-N 0 0 140.270 3.325 1 0 endogenous,in-man AGAFRN CC(C)[C@@H]1CC[C@@H](C)[C@H]1C 85947592 574416885 /nfs/dbraw/zinc/41/68/85/574416885.db2.gz MKEWIKKSNRXXFU-BBBLOLIVSA-N 0 0 140.270 3.325 1 0 endogenous,in-man AGAFRN CC[C@H]1SC(CC(C)C)=N[C@@H]1C 95618192 574417041 /nfs/dbraw/zinc/41/70/41/574417041.db2.gz VRMJLCZXVASWQJ-RKDXNWHRSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@H](C)C1=N[C@H](C)[C@H](CC)S1 95618189 574417042 /nfs/dbraw/zinc/41/70/42/574417042.db2.gz RFBWQYHRQKASFM-YIZRAAEISA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@@H]1SC(CC(C)C)=N[C@@H]1C 95618193 574417043 /nfs/dbraw/zinc/41/70/43/574417043.db2.gz VRMJLCZXVASWQJ-BDAKNGLRSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@H](C)C1=N[C@@H](C)[C@@H](CC)S1 95618186 574417045 /nfs/dbraw/zinc/41/70/45/574417045.db2.gz RFBWQYHRQKASFM-XHNCKOQMSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@H]1SC(CC(C)C)=N[C@H]1C 95618190 574417046 /nfs/dbraw/zinc/41/70/46/574417046.db2.gz VRMJLCZXVASWQJ-DTWKUNHWSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@H](C)C1=N[C@H](C)[C@@H](CC)S1 95618188 574417049 /nfs/dbraw/zinc/41/70/49/574417049.db2.gz RFBWQYHRQKASFM-DJLDLDEBSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@@H]1SC(CC(C)C)=N[C@H]1C 95618191 574417052 /nfs/dbraw/zinc/41/70/52/574417052.db2.gz VRMJLCZXVASWQJ-IUCAKERBSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@H](C)C1=N[C@@H](C)[C@H](CC)S1 95618187 574417054 /nfs/dbraw/zinc/41/70/54/574417054.db2.gz RFBWQYHRQKASFM-CIUDSAMLSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@@H](C)C1=N[C@H](C)[C@@H](CC)S1 100776157 574418662 /nfs/dbraw/zinc/41/86/62/574418662.db2.gz RFBWQYHRQKASFM-IWSPIJDZSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CC[C@@H](C)C1=N[C@@H](C)[C@@H](CC)S1 100776155 574418669 /nfs/dbraw/zinc/41/86/69/574418669.db2.gz RFBWQYHRQKASFM-HRDYMLBCSA-N 0 0 185.336 3.345 1 0 endogenous,in-man AGAFRN CN1c2ccccc2Cc2ccccc21 33835546 132187918 /nfs/dbraw/zinc/18/79/18/132187918.db2.gz VDWAQPIHXBRGGA-UHFFFAOYSA-N 0 0 195.265 3.359 1 0 AGAFRN Cc1cnc2c(C)cccc2c1C 75260357 343576051 /nfs/dbraw/zinc/57/60/51/343576051.db2.gz VHSHPPVFWFSBJO-UHFFFAOYSA-N 0 0 171.243 3.160 1 0 AGAFRN C/C(=C\c1ccccn1)c1ccccn1 5582027 166052172 /nfs/dbraw/zinc/05/21/72/166052172.db2.gz NRFVWCSJDVRCTD-ZHACJKMWSA-N 0 0 196.253 3.037 1 0 AGAFRN C/C=C(\F)P(=O)(OCC)OCC 1648121 166059892 /nfs/dbraw/zinc/05/98/92/166059892.db2.gz STGVFUAXZNHPQW-QPJJXVBHSA-N 0 0 196.158 3.083 1 0 AGAFRN C/C=C/[C@@H]1OC[C@@H](CC)[C@@H](CCC)O1 169335396 166066108 /nfs/dbraw/zinc/06/61/08/166066108.db2.gz ZBUDOBDQRRGWFF-QFFXXBCESA-N 0 0 198.306 3.130 1 0 AGAFRN C/C=C/[C@H]1OC[C@H](CC)[C@H](CCC)O1 4410326 166066724 /nfs/dbraw/zinc/06/67/24/166066724.db2.gz ZBUDOBDQRRGWFF-XQOUBZNUSA-N 0 0 198.306 3.130 1 0 AGAFRN C/C=C/[C@H]1OC[C@H](CC)[C@@H](CCC)O1 4410325 166067255 /nfs/dbraw/zinc/06/72/55/166067255.db2.gz ZBUDOBDQRRGWFF-PJNVQTKCSA-N 0 0 198.306 3.130 1 0 AGAFRN C/C=C\C=C\CCCCCCCO 15146082 166068259 /nfs/dbraw/zinc/06/82/59/166068259.db2.gz CSWBSLXBXRFNST-AWYLAFAOSA-N 0 0 182.307 3.452 1 0 AGAFRN C/C=C\C=C/CCCCCCCO 5823585 166068472 /nfs/dbraw/zinc/06/84/72/166068472.db2.gz CSWBSLXBXRFNST-LDIADDGTSA-N 0 0 182.307 3.452 1 0 AGAFRN C/C=C\[C@H]1OC[C@H](CC)[C@@H](CCC)O1 16892629 166069064 /nfs/dbraw/zinc/06/90/64/166069064.db2.gz ZBUDOBDQRRGWFF-BRPIDBKMSA-N 0 0 198.306 3.130 1 0 AGAFRN C/C=C\[C@H]1OC[C@H](CC)[C@H](CCC)O1 16892627 166069281 /nfs/dbraw/zinc/06/92/81/166069281.db2.gz ZBUDOBDQRRGWFF-REVOZVRASA-N 0 0 198.306 3.130 1 0 AGAFRN C/C=C\[C@@H]1OC[C@@H](CC)[C@@H](CCC)O1 169335393 166070337 /nfs/dbraw/zinc/07/03/37/166070337.db2.gz ZBUDOBDQRRGWFF-GUZFLIAXSA-N 0 0 198.306 3.130 1 0 AGAFRN C=C(c1ccccc1)c1cccnc1 5137896 166140301 /nfs/dbraw/zinc/14/03/01/166140301.db2.gz AAEOSEDYHVWUIF-UHFFFAOYSA-N 0 0 181.238 3.143 1 0 AGAFRN C=CC=CC=C[P@@H](=O)C=CC 28092649 166141188 /nfs/dbraw/zinc/14/11/88/166141188.db2.gz FQCBFCKBIMOEJL-JIDSLHQUSA-N 0 0 168.176 3.336 1 0 AGAFRN C=CC1=C(C)[C@@H]2CC[C@@H](C)C[C@H]2OC1 28824368 166162427 /nfs/dbraw/zinc/16/24/27/166162427.db2.gz JSLAVPRBYBKSJG-JIMOISOXSA-N 0 0 192.302 3.324 1 0 AGAFRN CC(=O)O[C@@]1(C(C)C)CC=C(C)CC1 2037557 166291068 /nfs/dbraw/zinc/29/10/68/166291068.db2.gz BFCBRSFYYLSTAA-LBPRGKRZSA-N 0 0 196.290 3.075 1 0 AGAFRN CC(=O)O[C@]1(C(C)C)CC=C(C)CC1 2037558 166293033 /nfs/dbraw/zinc/29/30/33/166293033.db2.gz BFCBRSFYYLSTAA-GFCCVEGCSA-N 0 0 196.290 3.075 1 0 biogenic,in-vitro AGAFRN CC(=O)O[C@H]1CC[C@@H](C(C)(C)C)CC1 100049780 166293578 /nfs/dbraw/zinc/29/35/78/166293578.db2.gz MBZRJSQZCBXRGK-XYPYZODXSA-N 0 0 198.306 3.154 1 0 AGAFRN CC(C)CCC[C@@H](C)CCOC=O 5758713 166438694 /nfs/dbraw/zinc/43/86/94/166438694.db2.gz AGARWNGUJKCDII-LLVKDONJSA-N 0 0 186.295 3.012 1 0 AGAFRN CC(C)[C@@]12CC[C@H](C)[C@@H]1C2 70454969 166597297 /nfs/dbraw/zinc/59/72/97/166597297.db2.gz GCTNBVHDRFKLLK-GUBZILKMSA-N 0 0 138.254 3.079 1 0 biogenic,in-vitro AGAFRN CC/C=C(\C)c1ccc(CC)c(=O)o1 72123263 166659726 /nfs/dbraw/zinc/65/97/26/166659726.db2.gz MHYXYBIZEFPTAE-RMKNXTFCSA-N 0 0 192.258 3.016 1 0 AGAFRN CCC(CC)[C@H](C)CCOC(C)=O 145508187 166801287 /nfs/dbraw/zinc/80/12/87/166801287.db2.gz NCHJIJCRXQRDGU-SECBINFHSA-N 0 0 186.295 3.012 1 0 AGAFRN CCC1=CCCc2cc(OC)ccc21 34999429 166811731 /nfs/dbraw/zinc/81/17/31/166811731.db2.gz DMSOFGPGHKQYMB-UHFFFAOYSA-N 0 0 188.270 3.435 1 0 AGAFRN CCC[C@@H]1SC(=O)c2ccccc21 95554656 167057297 /nfs/dbraw/zinc/05/72/97/167057297.db2.gz VDRORVPUYRWDFT-JTQLQIEISA-N 0 0 192.283 3.415 1 0 AGAFRN CCC[C@H]1CC[C@@H](C)C1 79162943 167089254 /nfs/dbraw/zinc/08/92/54/167089254.db2.gz HRSBIYASWAILIF-BDAKNGLRSA-N 0 0 126.243 3.223 1 0 AGAFRN CCC[C@H]1SC(=O)c2ccccc21 95554655 167089790 /nfs/dbraw/zinc/08/97/90/167089790.db2.gz VDRORVPUYRWDFT-SNVBAGLBSA-N 0 0 192.283 3.415 1 0 AGAFRN CCOCCC1=CC[C@@H]2C[C@H]1C2(C)C 14614464 167385874 /nfs/dbraw/zinc/38/58/74/167385874.db2.gz BTGKJTKHFJWYAZ-VXGBXAGGSA-N 0 0 194.318 3.405 1 0 AGAFRN CCOCCC1=CC[C@H]2C[C@@H]1C2(C)C 14614463 167386781 /nfs/dbraw/zinc/38/67/81/167386781.db2.gz BTGKJTKHFJWYAZ-RYUDHWBXSA-N 0 0 194.318 3.405 1 0 AGAFRN CC[C@H]1SC(=O)c2ccccc21 95552019 167700547 /nfs/dbraw/zinc/70/05/47/167700547.db2.gz HJZRAZLNJIFTML-SECBINFHSA-N 0 0 178.256 3.025 1 0 AGAFRN CCc1cc(=S)ss1 28132363 167722687 /nfs/dbraw/zinc/72/26/87/167722687.db2.gz GUBILWKWWKEJGX-UHFFFAOYSA-N 0 0 162.304 3.101 1 0 AGAFRN COC(C)(C)C1=CC[C@@H](C)CC1 5853669 168138967 /nfs/dbraw/zinc/13/89/67/168138967.db2.gz RSCHNGIUSXNPNV-SECBINFHSA-N 0 0 168.280 3.158 1 0 AGAFRN COC(C)(C)C1=CC[C@H](C)CC1 6437691 168139496 /nfs/dbraw/zinc/13/94/96/168139496.db2.gz RSCHNGIUSXNPNV-VIFPVBQESA-N 0 0 168.280 3.158 1 0 AGAFRN COCCC1=CC[C@@H]2C[C@H]1C2(C)C 14614462 168152748 /nfs/dbraw/zinc/15/27/48/168152748.db2.gz LMGBUUJTWAQRHJ-GHMZBOCLSA-N 0 0 180.291 3.015 1 0 AGAFRN CO[C@@H]1C=C(C)CC[C@@H]1C(C)C 40835003 168203644 /nfs/dbraw/zinc/20/36/44/168203644.db2.gz BBVRHQWSUQMSQI-GHMZBOCLSA-N 0 0 168.280 3.014 1 0 AGAFRN CO[C@@H]1C=C(C)CC[C@H]1C(C)C 40834999 168203953 /nfs/dbraw/zinc/20/39/53/168203953.db2.gz BBVRHQWSUQMSQI-WDEREUQCSA-N 0 0 168.280 3.014 1 0 AGAFRN CO[C@H]1C=C(C)CC[C@@H]1C(C)C 40835001 168215077 /nfs/dbraw/zinc/21/50/77/168215077.db2.gz BBVRHQWSUQMSQI-MNOVXSKESA-N 0 0 168.280 3.014 1 0 AGAFRN CO[C@H]1C=C(C)CC[C@H]1C(C)C 40834997 168215933 /nfs/dbraw/zinc/21/59/33/168215933.db2.gz BBVRHQWSUQMSQI-QWRGUYRKSA-N 0 0 168.280 3.014 1 0 AGAFRN CO[C@H]1C[C@H](C)CC[C@@H]1C(C)C 17149354 168220241 /nfs/dbraw/zinc/22/02/41/168220241.db2.gz JDGJLPHFRJNJMN-MXWKQRLJSA-N 0 0 170.296 3.094 1 0 endogenous,in-man AGAFRN COc1c(C)ccc(C(C)C)c1OC 138630577 168223986 /nfs/dbraw/zinc/22/39/86/168223986.db2.gz REQCNFPLPYDNEG-UHFFFAOYSA-N 0 0 194.274 3.136 1 0 AGAFRN C[C@@H]1CCCCCCCCCC(=O)O1 14449131 168413933 /nfs/dbraw/zinc/41/39/33/168413933.db2.gz IBLSRZGJYAOPLB-LLVKDONJSA-N 0 0 198.306 3.443 1 0 AGAFRN C[C@@H]1CCCc2cc(F)ccc21 103192346 168429336 /nfs/dbraw/zinc/42/93/36/168429336.db2.gz IJQWBCPVPYZKKB-MRVPVSSYSA-N 0 0 164.223 3.266 1 0 AGAFRN C[C@H]1CC=C2C(C)(C)CC=C[C@]2(C)O1 15169224 168596691 /nfs/dbraw/zinc/59/66/91/168596691.db2.gz HUXGOQHTDHIKSS-GWCFXTLKSA-N 0 0 192.302 3.466 1 0 endogenous,in-man AGAFRN Cc1ccc(-c2ccn(C)c2)cc1 29131042 168794408 /nfs/dbraw/zinc/79/44/08/168794408.db2.gz JKKDCPJFJYWADC-UHFFFAOYSA-N 0 0 171.243 3.001 1 0 AGAFRN Cc1cn2c(cc3ccccc32)c(C)n1 28563838 168899756 /nfs/dbraw/zinc/89/97/56/168899756.db2.gz DOWKILPGZYEZSQ-UHFFFAOYSA-N 0 0 196.253 3.104 1 0 AGAFRN Cc1ssc(=S)c1C 12341135 169016142 /nfs/dbraw/zinc/01/61/42/169016142.db2.gz GIHGTMXLYJIABQ-UHFFFAOYSA-N 0 0 162.304 3.156 1 0 AGAFRN Cn1cc(-c2ccoc2)c2ccccc21 36338556 169037349 /nfs/dbraw/zinc/03/73/49/169037349.db2.gz UFMJKAKKDCGNEF-UHFFFAOYSA-N 0 0 197.237 3.438 1 0 in-vivo AGAFRN FC/C=C/c1ccc2ccccc2n1 96937472 169074787 /nfs/dbraw/zinc/07/47/87/169074787.db2.gz GBWXSEYJEGYXFX-HWKANZROSA-N 0 0 187.217 3.218 1 0 AGAFRN Fc1cccc(Cl)c1-c1ncco1 40566061 169085628 /nfs/dbraw/zinc/08/56/28/169085628.db2.gz UOPUYLTWPOCRBR-UHFFFAOYSA-N 0 0 197.596 3.134 1 0 AGAFRN Fc1ccccc1Oc1cccnc1 27103024 169087883 /nfs/dbraw/zinc/08/78/83/169087883.db2.gz RAWJVKJJJPYTHC-UHFFFAOYSA-N 0 0 189.189 3.013 1 0 AGAFRN Fc1sc2c(c1F)[C@@H]1CC[C@H]2C1 1639476 169090058 /nfs/dbraw/zinc/09/00/58/169090058.db2.gz AZGCQKXBHQVHFX-UHNVWZDZSA-N 0 0 186.226 3.391 1 0 AGAFRN Fc1sc2c(c1F)[C@H]1CC[C@@H]2C1 1639475 169090355 /nfs/dbraw/zinc/09/03/55/169090355.db2.gz AZGCQKXBHQVHFX-CRCLSJGQSA-N 0 0 186.226 3.391 1 0 AGAFRN O=C(Cc1ccccn1)c1ccccc1 100055203 169312768 /nfs/dbraw/zinc/31/27/68/169312768.db2.gz IXQUHMXYFKDBDA-JLHYYAGUSA-N 0 0 197.237 3.138 1 0 AGAFRN c1ccc2c([C@@H]3CCO3)cccc2c1 36387675 169477738 /nfs/dbraw/zinc/47/77/38/169477738.db2.gz XBMPCXFKGZYROD-ZDUSSCGKSA-N 0 0 184.238 3.301 3 0 AGAFRN CC/C=C\CC(=O)OC/C=C/CCC 140432215 171159832 /nfs/dbraw/zinc/15/98/32/171159832.db2.gz JNQWJWVBGRTRTA-MKKAVFGOSA-N 0 0 196.290 3.242 1 0 AGAFRN C/C1=C\C=C[C@@H](C)CCC1 169304297 171165587 /nfs/dbraw/zinc/16/55/87/171165587.db2.gz VMXWYKXQWHKSHB-KHUMXGHVSA-N 0 0 136.238 3.309 1 0 AGAFRN C/C1=C\C=C[C@H](C)CCC1 194956706 171169272 /nfs/dbraw/zinc/16/92/72/171169272.db2.gz VMXWYKXQWHKSHB-IAPCEEQVSA-N 0 0 136.238 3.309 1 0 AGAFRN C[C@@H]1CC=C2C(C)(C)CC=C[C@@]2(C)O1 15169218 171222171 /nfs/dbraw/zinc/22/21/71/171222171.db2.gz HUXGOQHTDHIKSS-ZWNOBZJWSA-N 0 0 192.302 3.466 1 0 endogenous,in-man AGAFRN C[C@@H]1CC=C2C(C)(C)CC=C[C@]2(C)O1 15169222 171222403 /nfs/dbraw/zinc/22/24/03/171222403.db2.gz HUXGOQHTDHIKSS-MFKMUULPSA-N 0 0 192.302 3.466 1 0 endogenous,in-man AGAFRN C/C=C(/C)C(C)(C)CC 85541309 290747018 /nfs/dbraw/zinc/74/70/18/290747018.db2.gz WDLGLTFOBAKTPU-VURMDHGXSA-N 0 0 126.243 3.389 1 0 biogenic,in-vitro AGAFRN C/C=C/C(C)=C/C=C(C)C 59295851 290747020 /nfs/dbraw/zinc/74/70/20/290747020.db2.gz VMJZCRLJWCETEG-FTKIWFIZSA-N 0 0 136.238 3.475 1 0 biogenic,in-vitro AGAFRN C/C=C/C(C)=C\C=C(C)C 59574938 290747021 /nfs/dbraw/zinc/74/70/21/290747021.db2.gz VMJZCRLJWCETEG-VOFQGDAYSA-N 0 0 136.238 3.475 1 0 biogenic,in-vitro AGAFRN C/C=C/C1CCC(C)CC1 85530467 290747016 /nfs/dbraw/zinc/74/70/16/290747016.db2.gz YDFSNGYYRPSYIJ-ONEGZZNKSA-N 0 0 138.254 3.389 1 0 biogenic,in-vitro AGAFRN C/C=C/[C@H]1CC=C(C)CC1 85530546 290747096 /nfs/dbraw/zinc/74/70/96/290747096.db2.gz YTTNUNRNRDQUKQ-FSIBCCDJSA-N 0 0 136.238 3.309 1 0 biogenic,in-vitro AGAFRN CC1=CC=CC(C)(C)C=C1 59587156 290747911 /nfs/dbraw/zinc/74/79/11/290747911.db2.gz VOURXYUVXXLJMD-UHFFFAOYSA-N 0 0 134.222 3.085 1 0 biogenic,in-vitro AGAFRN COc1ccc(C=C(C)C)cc1 14593051 290748048 /nfs/dbraw/zinc/74/80/48/290748048.db2.gz QABCSPDGWHIRHC-UHFFFAOYSA-N 0 0 162.232 3.118 1 0 biogenic,in-vitro AGAFRN C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC[C@@H]1CC2 59586485 290748066 /nfs/dbraw/zinc/74/80/66/290748066.db2.gz NRLHQCOMKSHDHB-FVCCEPFGSA-N 0 0 194.318 3.118 1 0 biogenic,in-vitro AGAFRN CC(C)[C@]12CC[C@H](C)[C@H]1C2 64624099 343407635 /nfs/dbraw/zinc/40/76/35/343407635.db2.gz GCTNBVHDRFKLLK-IVZWLZJFSA-N 0 0 138.254 3.079 1 0 in-vitro AGAFRN CCCC1=CCCCC1 95731345 343686540 /nfs/dbraw/zinc/68/65/40/343686540.db2.gz WCPWJMLXSZIWOP-UHFFFAOYSA-N 0 0 124.227 3.287 1 0 biogenic,in-vitro AGAFRN c1ccc(-c2cccc3nccn23)cc1 63539572 1224174110 /nfs/dbraw/zinc/17/41/10/1224174110.db2.gz VBNVOUSYMPNLEN-UHFFFAOYSA-N 0 0 194.237 3.001 1 0 AGAFRN