smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1ccc2c(c1[O-])C(=O)C[C@@H](c1ccc(O)cc1O)O2 ZINC000095486193 291005262 /nfs/dbraw/zinc/00/52/62/291005262.db2.gz QHQITHLCDFBNJP-SFHVURJKSA-N -1 3 340.375 4.019 1 0 biogenic,in-vitro EIAFHM COc1ccc(C=C2c3cccc([O-])c3C(=O)c3c(O)cccc32)cc1 ZINC000027328783 202154317 /nfs/dbraw/zinc/15/43/17/202154317.db2.gz YOBBUGFYHIXIAD-UHFFFAOYSA-N -1 3 344.366 4.240 1 0 EIAFHM Cc1cc([O-])c(C=O)c(C)c1CC[C@]1(C)C=Cc2cc(O)ccc2O1 ZINC000005842270 201056706 /nfs/dbraw/zinc/05/67/06/201056706.db2.gz HXHCCUWOGMBIRD-NRFANRHFSA-N -1 3 338.403 4.324 1 0 EIAFHM O=C1OCC(Nc2cc(Cl)cc(Cl)c2)=C1c1ccc([O-])cc1 ZINC000072118456 203163377 /nfs/dbraw/zinc/16/33/77/203163377.db2.gz NNOZMQDXMZLPIB-UHFFFAOYSA-N -1 3 336.174 4.079 1 0 EIAFHM CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2[O-])cc1 ZINC000040392303 581095824 /nfs/dbraw/zinc/09/58/24/581095824.db2.gz DUXCVYIPXRRATG-UHFFFAOYSA-N -1 3 342.420 4.244 1 0 in-vitro EIAFHM [O-]c1cc2nc(-c3ccc(O)cc3)oc2c(/C=C\Br)c1 ZINC000028459266 202171504 /nfs/dbraw/zinc/17/15/04/202171504.db2.gz LYKOIOVFPHLPCR-WAYWQWQTSA-N -1 3 332.153 4.272 1 0 EIAFHM [O-]c1ccc2[nH]n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc1-2 ZINC000028572530 202172466 /nfs/dbraw/zinc/17/24/66/202172466.db2.gz FYCKIQFGPNGXJP-UHFFFAOYSA-N -1 3 335.112 4.327 1 0 EIAFHM CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000029126909 202181474 /nfs/dbraw/zinc/18/14/74/202181474.db2.gz XTYGZPBJDVNICY-UHFFFAOYSA-N -1 3 346.386 4.270 1 0 EIAFHM CCCCC[C@@H](C)NCc1coc(-c2cc(C(C)=O)ccc2[O-])n1 ZINC000072185259 203183251 /nfs/dbraw/zinc/18/32/51/203183251.db2.gz KRBOCGLSNOBVGP-CYBMUJFWSA-N -1 3 330.428 4.308 1 0 EIAFHM O=c1c(C=C([O-])c2ccccc2)nc2ccccc2n1-c1ccccc1 ZINC000101626330 204014925 /nfs/dbraw/zinc/01/49/25/204014925.db2.gz OSPISMRGWRINNW-QNGOZBTKSA-N -1 3 340.382 4.442 1 0 aggregator EIAFHM CN1Cc2ccccc2[C@@H]2c3cc([O-])c(Br)cc3CC[C@H]21 ZINC000026274927 202141009 /nfs/dbraw/zinc/14/10/09/202141009.db2.gz LGYJRJSIABNMNK-SJLPKXTDSA-N -1 3 344.252 4.047 1 0 EIAFHM O=c1[n-]cnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000103289633 204073196 /nfs/dbraw/zinc/07/31/96/204073196.db2.gz GAVQAZHSHHQAMR-QGZVFWFLSA-N -1 3 326.355 4.209 1 0 EIAFHM Cc1ccc([C@@H]2CC(=O)c3c([n-]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027086319 202151173 /nfs/dbraw/zinc/15/11/73/202151173.db2.gz QXFLSUBIMJDWAZ-ZDUSSCGKSA-N -1 3 337.806 4.403 1 0 EIAFHM O=C1c2c([O-])cccc2C(=CCc2ccccc2)c2cccc(O)c21 ZINC000027330211 202153631 /nfs/dbraw/zinc/15/36/31/202153631.db2.gz MXYXIJUPSCDQKS-UHFFFAOYSA-N -1 3 328.367 4.317 1 0 EIAFHM O=c1cc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000028348424 202170267 /nfs/dbraw/zinc/17/02/67/202170267.db2.gz QAQWDOPADPUECP-UHFFFAOYSA-N -1 3 345.324 4.068 1 0 EIAFHM O=c1ccc(N2CCCC2)c2oc(-c3ccccc3Cl)cc([O-])c1-2 ZINC000028639859 202174216 /nfs/dbraw/zinc/17/42/16/202174216.db2.gz RBPZJBNYCBTWSZ-UHFFFAOYSA-N -1 3 341.794 4.419 1 0 EIAFHM O=c1cc(-c2ccccc2Cl)oc2c(N3CCCC3)ccc([O-])c12 ZINC000028639859 202174218 /nfs/dbraw/zinc/17/42/18/202174218.db2.gz RBPZJBNYCBTWSZ-UHFFFAOYSA-N -1 3 341.794 4.419 1 0 EIAFHM CC[C@@H](C)c1cc([C@@H](O)C(F)(F)F)cc(Br)c1[O-] ZINC000084688426 203535589 /nfs/dbraw/zinc/53/55/89/203535589.db2.gz YUXYLDKDKHCOSN-KSBSHMNSSA-N -1 3 327.140 4.264 1 0 EIAFHM O=C1CS[C@@H](c2cc3ccccc3[n-]c2=S)N1c1ccccc1 ZINC000103197823 204065584 /nfs/dbraw/zinc/06/55/84/204065584.db2.gz DRLNNVLXRQCTTO-SFHVURJKSA-N -1 3 338.457 4.302 1 0 EIAFHM [O-]c1cc(O)ccc1-c1nnc(-c2ccccc2Br)s1 ZINC000028712180 202175369 /nfs/dbraw/zinc/17/53/69/202175369.db2.gz ABEOGPVWBZTVJD-UHFFFAOYSA-N -1 3 349.209 4.046 1 0 EIAFHM Cc1c(C(=O)[O-])oc2cccc(OCCOc3ccc(C)cc3)c12 ZINC000098082734 203983871 /nfs/dbraw/zinc/98/38/71/203983871.db2.gz FHKIQMSGUFBUSG-UHFFFAOYSA-N -1 3 326.348 4.206 1 0 EIAFHM [O-]c1cc(O)ccc1-c1nnc(-c2cc3ccccc3s2)s1 ZINC000028712205 202175019 /nfs/dbraw/zinc/17/50/19/202175019.db2.gz AWMYVRGJTLUICD-UHFFFAOYSA-N -1 3 326.402 4.498 1 0 EIAFHM CCCCCCc1ccc(Oc2nc(OC)cc(OC)n2)c([O-])c1 ZINC000029050294 202180378 /nfs/dbraw/zinc/18/03/78/202180378.db2.gz YNAUOGCPBHCMDN-UHFFFAOYSA-N -1 3 332.400 4.115 1 0 in-vivo EIAFHM COc1ccc([C@@H]2C[C@@H]2C2=NCCc3cc(Cl)c([O-])cc3N2)cc1 ZINC000045298375 202549383 /nfs/dbraw/zinc/54/93/83/202549383.db2.gz VPKCLHWPSFNHSU-GJZGRUSLSA-N -1 3 342.826 4.224 1 0 EIAFHM C[C@H]1CC(=O)c2c(coc2-c2c([O-])ccc3c2OC(C)(C)C=C3)[C@@H]1O ZINC000014587369 201056860 /nfs/dbraw/zinc/05/68/60/201056860.db2.gz SRUGXOLNOMJETJ-DYZYQPBXSA-N -1 3 340.375 4.092 1 0 EIAFHM [O-]c1ccc(-c2cc(Br)c3cc(O)ccc3n2)cc1F ZINC000003949888 581101558 /nfs/dbraw/zinc/10/15/58/581101558.db2.gz AICOQICFGBXDBO-UHFFFAOYSA-N -1 3 334.144 4.215 1 0 EIAFHM O=C(Nc1nc2ccc(Cl)cc2s1)Nc1ccc(O)cc1[O-] ZINC000040567236 213352624 /nfs/dbraw/zinc/35/26/24/213352624.db2.gz YBBTWQWNNSKGQQ-UHFFFAOYSA-N -1 3 335.772 4.005 1 0 EIAFHM CC(=O)c1c(=O)c2c(F)ccc(Cl)c2[n-]c1Nc1ccccc1 ZINC000040896488 213398602 /nfs/dbraw/zinc/39/86/02/213398602.db2.gz GBRCZEYULXUYHA-UHFFFAOYSA-N -1 3 330.746 4.267 1 0 EIAFHM CCON=C([O-])Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000012354806 211353753 /nfs/dbraw/zinc/35/37/53/211353753.db2.gz SCEARXJMPJORDY-UHFFFAOYSA-N -1 3 346.239 4.114 1 0 EIAFHM CCO[N-]C(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000012354806 211353756 /nfs/dbraw/zinc/35/37/56/211353756.db2.gz SCEARXJMPJORDY-UHFFFAOYSA-N -1 3 346.239 4.114 1 0 EIAFHM COc1ccc(-c2cc(-c3ccccc3[O-])nc(=S)[nH]2)cc1OC ZINC000103223102 219271461 /nfs/dbraw/zinc/27/14/61/219271461.db2.gz FLZLUZWZUKHGKS-UHFFFAOYSA-N -1 3 340.404 4.196 1 0 EIAFHM CC1(C)C=Cc2c(ccc3cc(-c4ccc([O-])cc4O)c(=O)oc32)O1 ZINC000045337018 571764606 /nfs/dbraw/zinc/76/46/06/571764606.db2.gz VFIXONREXXFDQV-UHFFFAOYSA-N -1 3 336.343 4.055 1 0 endogenous,in-man EIAFHM CC1(C)C=Cc2c(ccc3cc(-c4ccc(O)cc4[O-])c(=O)oc32)O1 ZINC000045337018 571764612 /nfs/dbraw/zinc/76/46/12/571764612.db2.gz VFIXONREXXFDQV-UHFFFAOYSA-N -1 3 336.343 4.055 1 0 endogenous,in-man EIAFHM CCCCOc1ccc(-c2cnc(N)nc2-c2ccccc2[O-])cc1 ZINC000040874795 213396133 /nfs/dbraw/zinc/39/61/33/213396133.db2.gz MPWBLCUFPHYGKX-UHFFFAOYSA-N -1 3 335.407 4.277 1 0 EIAFHM COc1cc2oc(-c3cc(OC)c(C)c(OC)c3C)cc2c([O-])c1 ZINC000072176196 216064879 /nfs/dbraw/zinc/06/48/79/216064879.db2.gz YGZZMWPIMILKPS-UHFFFAOYSA-N -1 3 328.364 4.448 1 0 EIAFHM CC(=O)c1c(=O)c2c(F)ccc(F)c2[n-]c1Nc1ccc(Cl)cc1 ZINC000040423711 213303062 /nfs/dbraw/zinc/30/30/62/213303062.db2.gz SQWZMEYHEZXKSQ-UHFFFAOYSA-N -1 3 348.736 4.406 1 0 EIAFHM O=C1CS[C@H](c2cc3ccccc3[n-]c2=S)N1c1ccccc1 ZINC000103197827 219268000 /nfs/dbraw/zinc/26/80/00/219268000.db2.gz DRLNNVLXRQCTTO-GOSISDBHSA-N -1 3 338.457 4.302 1 0 EIAFHM Cc1c(=O)c2cc(N3CCCCC3)ccc2[nH]c1-c1ccc([O-])cc1 ZINC000072113542 216011521 /nfs/dbraw/zinc/01/15/21/216011521.db2.gz PEXVOUJLLPPEDC-UHFFFAOYSA-N -1 3 334.419 4.199 1 0 EIAFHM Cc1ccc(C2=NN(c3nc([O-])cs3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000073295080 216374272 /nfs/dbraw/zinc/37/42/72/216374272.db2.gz VPPXRIQJRSEVGR-SFHVURJKSA-N -1 3 349.459 4.084 1 0 EIAFHM [O-]c1c2nc(-c3ccccc3)nc-2c2cccnc2n1-c1ccccc1 ZINC000100929903 219111926 /nfs/dbraw/zinc/11/19/26/219111926.db2.gz ABOJRGJJOPCBMM-UHFFFAOYSA-N -1 3 338.370 4.293 1 0 EIAFHM O=c1c2nc(-c3ccccc3)[n-]c2c2cccnc2n1-c1ccccc1 ZINC000100929903 219111929 /nfs/dbraw/zinc/11/19/29/219111929.db2.gz ABOJRGJJOPCBMM-UHFFFAOYSA-N -1 3 338.370 4.293 1 0 EIAFHM CCCCC[C@H](C)NCc1coc(-c2cc(C(C)=O)ccc2[O-])n1 ZINC000072185260 216067339 /nfs/dbraw/zinc/06/73/39/216067339.db2.gz KRBOCGLSNOBVGP-ZDUSSCGKSA-N -1 3 330.428 4.308 1 0 EIAFHM CN1CCc2cc(F)c([O-])cc2[C@@H]1C1(c2ccccc2Cl)CC1 ZINC000028476443 212620813 /nfs/dbraw/zinc/62/08/13/212620813.db2.gz AXNBRAABOINRNO-GOSISDBHSA-N -1 3 331.818 4.446 1 0 EIAFHM [O-]c1ccc(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000066113996 215013894 /nfs/dbraw/zinc/01/38/94/215013894.db2.gz HHMRCZQPBNEGMH-UHFFFAOYSA-N -1 3 329.318 4.015 1 0 EIAFHM O=c1[n-]cnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000103289635 219284265 /nfs/dbraw/zinc/28/42/65/219284265.db2.gz GAVQAZHSHHQAMR-KRWDZBQOSA-N -1 3 326.355 4.209 1 0 EIAFHM Nc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2[O-])n1 ZINC000040875823 213396140 /nfs/dbraw/zinc/39/61/40/213396140.db2.gz IYGROXCZGPBSTL-UHFFFAOYSA-N -1 3 331.297 4.117 1 0 EIAFHM CCOC(=O)c1oc2cc(-c3ccccc3OC)cc([O-])c2c1C ZINC000028380914 212617268 /nfs/dbraw/zinc/61/72/68/212617268.db2.gz CRRQJWUNMCIMCN-UHFFFAOYSA-N -1 3 326.348 4.299 1 0 EIAFHM Cc1ccc(C2=NN(c3nc([O-])cs3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000073295082 216374391 /nfs/dbraw/zinc/37/43/91/216374391.db2.gz VPPXRIQJRSEVGR-GOSISDBHSA-N -1 3 349.459 4.084 1 0 EIAFHM O=C1[N-]C(=O)C(=Cc2ccc(OC3CCCCC3)c(Cl)c2)S1 ZINC000072109225 216010676 /nfs/dbraw/zinc/01/06/76/216010676.db2.gz DKEZSRKQXRFEHX-ZROIWOOFSA-N -1 3 337.828 4.375 1 0 EIAFHM O=c1c2ccccc2nc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000003842321 210078952 /nfs/dbraw/zinc/07/89/52/210078952.db2.gz VQTHMGSYEABTGU-UHFFFAOYSA-N -1 3 342.398 4.012 1 0 EIAFHM C/C=C(/C)COc1ccc(-c2cnc(N)nc2-c2ccccc2[O-])cc1 ZINC000040896518 213398541 /nfs/dbraw/zinc/39/85/41/213398541.db2.gz ZYXDZVXNXGUJAV-BNNQUZSASA-N -1 3 347.418 4.443 1 0 EIAFHM NC(=O)N([O-])[C@@H]1CCCc2cc(OCc3ccc(Cl)cc3)ccc21 ZINC000003803972 210075758 /nfs/dbraw/zinc/07/57/58/210075758.db2.gz GMJYCQSOQPTBAY-QGZVFWFLSA-N -1 3 346.814 4.066 1 0 EIAFHM O=c1nc(-c2ccccc2[O-])cc(-c2ccc(Cl)cc2Cl)[nH]1 ZINC000103221260 219271264 /nfs/dbraw/zinc/27/12/64/219271264.db2.gz KPVZDCORHAOHQE-UHFFFAOYSA-N -1 3 333.174 4.116 1 0 EIAFHM CN1CCC(n2[n-]c(-c3ccccc3)c(Cc3ccccc3)c2=O)CC1 ZINC000103939001 219330925 /nfs/dbraw/zinc/33/09/25/219330925.db2.gz VLAPQJBAECXKRC-UHFFFAOYSA-N -1 3 347.462 4.113 1 0 EIAFHM COc1cc2ccc1Oc1cc(ccc1[O-])CCC(=O)CCCC2 ZINC000015251114 571737361 /nfs/dbraw/zinc/73/73/61/571737361.db2.gz QUSSPXNPULRXKG-UHFFFAOYSA-N -1 3 326.392 4.421 1 0 endogenous,in-man EIAFHM O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2)sc2ccc(O)cc21 ZINC000034804057 581098118 /nfs/dbraw/zinc/09/81/18/581098118.db2.gz SVWXCDGHUFRGHG-UHFFFAOYSA-N -1 3 345.379 4.311 1 0 EIAFHM CC(C)COc1ccc(-c2cnc(N)nc2-c2ccccc2[O-])cc1 ZINC000040896073 213398453 /nfs/dbraw/zinc/39/84/53/213398453.db2.gz UTZWFPUPRXYMFK-UHFFFAOYSA-N -1 3 335.407 4.133 1 0 EIAFHM CC(C)=CCOc1cc([O-])c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O ZINC000014806886 291005274 /nfs/dbraw/zinc/00/52/74/291005274.db2.gz HXGGEGJYNMWHAD-GOSISDBHSA-N -1 3 340.375 4.149 1 0 biogenic,in-vitro EIAFHM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1CNCc1ccccc1 ZINC000013492826 211567646 /nfs/dbraw/zinc/56/76/46/211567646.db2.gz PXPIPISKMPWOST-UHFFFAOYSA-N -1 3 349.217 4.463 1 0 EIAFHM COc1cc2cc(c1OC)-c1cc(ccc1[O-])CCC(=O)CCCC2 ZINC000014611809 571715273 /nfs/dbraw/zinc/71/52/73/571715273.db2.gz UCIYWYZLILBGOL-UHFFFAOYSA-N -1 3 340.419 4.305 1 0 endogenous,in-man EIAFHM CC(C)(C)c1ncc(C(=O)Nc2cc([O-])cc(Cl)c2)nc1Cl ZINC000103198091 219268023 /nfs/dbraw/zinc/26/80/23/219268023.db2.gz WSFHIVWNYVXBOT-UHFFFAOYSA-N -1 3 340.210 4.039 1 0 EIAFHM Cc1cc2c(cc1C)C(Cl)=C(C=C1SC(=O)[N-]C1=O)CCC2 ZINC000103234644 219273827 /nfs/dbraw/zinc/27/38/27/219273827.db2.gz WXSVDBMKGAFGAV-ZSOIEALJSA-N -1 3 333.840 4.457 1 0 EIAFHM CCn1c2ccncc2c2cc(NC(=O)c3ccccc3[O-])ccc21 ZINC000040834541 213391054 /nfs/dbraw/zinc/39/10/54/213391054.db2.gz BVNNVTRVMXNIRF-UHFFFAOYSA-N -1 3 331.375 4.167 1 0 EIAFHM Cc1c(C(=O)[O-])oc2cccc(OCc3ccc4nsnc4c3)c12 ZINC000098082979 219080833 /nfs/dbraw/zinc/08/08/33/219080833.db2.gz CZCPERJVDUPGST-UHFFFAOYSA-N -1 3 340.360 4.023 1 0 EIAFHM Clc1cccc(CC2(Cc3nnn[n-]3)C3CC4CC(C3)CC2C4)c1 ZINC000103231605 219273687 /nfs/dbraw/zinc/27/36/87/219273687.db2.gz OIINAVVSTZVZJY-UHFFFAOYSA-N -1 3 342.874 4.081 1 0 EIAFHM Clc1cccc(CC2(Cc3nn[n-]n3)C3CC4CC(C3)CC2C4)c1 ZINC000103231605 219273689 /nfs/dbraw/zinc/27/36/89/219273689.db2.gz OIINAVVSTZVZJY-UHFFFAOYSA-N -1 3 342.874 4.081 1 0 EIAFHM O=c1[n-]cnc2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103289631 219284685 /nfs/dbraw/zinc/28/46/85/219284685.db2.gz DNKHMOTYGRQYKW-KRWDZBQOSA-N -1 3 326.355 4.209 1 0 EIAFHM CC(C)C(=O)c1c(O)cc([O-])c2c1O[C@]1(C)CCCC(C)(C)[C@@H]1C2 ZINC000040403744 213298379 /nfs/dbraw/zinc/29/83/79/213298379.db2.gz TXBJAQRFHBPTNC-MGPUTAFESA-N -1 3 332.440 4.456 1 0 EIAFHM COc1cc(/C=C/Cc2cc3occc3c([O-])c2)cc(OC)c1OC ZINC000038143424 213203985 /nfs/dbraw/zinc/20/39/85/213203985.db2.gz MAAOZQJDAZSONY-GQCTYLIASA-N -1 3 340.375 4.420 1 0 EIAFHM O=c1[n-]cnc2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103289629 219284490 /nfs/dbraw/zinc/28/44/90/219284490.db2.gz DNKHMOTYGRQYKW-QGZVFWFLSA-N -1 3 326.355 4.209 1 0 EIAFHM CC(C)C(=O)c1c(O)cc([O-])c2c1O[C@]1(C)CCCC(C)(C)[C@H]1C2 ZINC000040403750 213298688 /nfs/dbraw/zinc/29/86/88/213298688.db2.gz TXBJAQRFHBPTNC-FOIQADDNSA-N -1 3 332.440 4.456 1 0 EIAFHM O=C(c1ccccc1)c1ccc(NC(=S)c2ccc(O)cc2[O-])cc1 ZINC000103294914 219285096 /nfs/dbraw/zinc/28/50/96/219285096.db2.gz SUMMIBQQYYTMID-UHFFFAOYSA-N -1 3 349.411 4.116 1 0 EIAFHM CC(C)C(=O)c1c(O)cc([O-])c2c1O[C@@]1(C)CCCC(C)(C)[C@@H]1C2 ZINC000040403747 213299091 /nfs/dbraw/zinc/29/90/91/213299091.db2.gz TXBJAQRFHBPTNC-YWZLYKJASA-N -1 3 332.440 4.456 1 0 EIAFHM CC(C)C(=O)c1c(O)cc([O-])c2c1O[C@@]1(C)CCCC(C)(C)[C@H]1C2 ZINC000040403753 213298567 /nfs/dbraw/zinc/29/85/67/213298567.db2.gz TXBJAQRFHBPTNC-QRWLVFNGSA-N -1 3 332.440 4.456 1 0 EIAFHM COc1cc2ccc1Oc1cc(ccc1[O-])CC[C@@H](O)CCCC2 ZINC000015251164 291008453 /nfs/dbraw/zinc/00/84/53/291008453.db2.gz SKQFVMGWNXOEPV-INIZCTEOSA-N -1 3 328.408 4.213 1 0 biogenic,in-vitro EIAFHM