smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CNC(=O)OCc1ccccc1)NCCNCCNC(=O)CNC(=O)OCc1ccccc1 ZINC000004973265 526843056 /nfs/dbraw/zinc/84/30/56/526843056.db2.gz DMBRUHCFLKMMLI-UHFFFAOYSA-N 0 3 485.541 0.661 40 0 JCABHN COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@@H]2C[C@@H]3Cn2cc(CCO)nn2)CC1 ZINC000008254010 554564284 /nfs/dbraw/zinc/56/42/84/554564284.db2.gz UWGGMYSCGZPYDB-NRSPTQNISA-N 0 3 454.575 0.881 40 0 biogenic,in-vitro JCABHN COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3Cn2cc(CCO)nn2)CC1 ZINC000008254012 569589112 /nfs/dbraw/zinc/58/91/12/569589112.db2.gz UWGGMYSCGZPYDB-TYPHKJRUSA-N 0 3 454.575 0.881 40 0 biogenic,in-vitro JCABHN CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008299041 554565457 /nfs/dbraw/zinc/56/54/57/554565457.db2.gz YARQAAOJLHYEHQ-WWNPGLIZSA-N 0 3 453.591 0.873 40 0 biogenic,in-vitro JCABHN CCOc1ccc2[nH]c(=O)c(CN(CCO)C3(c4nnnn4CCOC)CCN(C)CC3)cc2c1 ZINC000013510439 521283936 /nfs/dbraw/zinc/28/39/36/521283936.db2.gz PVULIBBQTUBZHZ-UHFFFAOYSA-N 0 3 485.589 0.975 40 0 JCABHN CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000015721201 555955134 /nfs/dbraw/zinc/95/51/34/555955134.db2.gz BNRNLMADYYTCTK-UFYCRDLUSA-N 0 3 458.584 0.713 40 0 JCABHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Br)c1OCC(N)=O ZINC000016688328 556152162 /nfs/dbraw/zinc/15/21/62/556152162.db2.gz DRYXXEGFEPSPIP-UHFFFAOYSA-N 0 3 457.285 0.197 40 0 JCABHN CN1CCN(CC[C@H](O)COc2ccc(OC[C@@H](O)CCN3CCN(C)CC3)cc2)CC1 ZINC000019881309 555526715 /nfs/dbraw/zinc/52/67/15/555526715.db2.gz SLVBIVRXIBXHHB-VXKWHMMOSA-N 0 3 450.624 0.441 40 0 JCABHN CN1CCN(CC[C@@H](O)COc2ccc(OC[C@H](O)CCN3CCN(C)CC3)cc2)CC1 ZINC000019881312 555526627 /nfs/dbraw/zinc/52/66/27/555526627.db2.gz SLVBIVRXIBXHHB-FGZHOGPDSA-N 0 3 450.624 0.441 40 0 JCABHN CN(C)CCN(C)[C@H]1[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000020464972 521748474 /nfs/dbraw/zinc/74/84/74/521748474.db2.gz WNLNVZLOIIQDIX-LTIDMASMSA-N 0 3 450.458 0.689 40 0 biogenic,in-vitro JCABHN COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NCc4ccc(CO)o4)CN32)cc1 ZINC000022922275 524048366 /nfs/dbraw/zinc/04/83/66/524048366.db2.gz DZOSLESZEBLAQM-SVMVAKDDSA-N 0 3 456.543 0.908 40 0 biogenic,in-vitro JCABHN COC(=O)C1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(O)cc3)N2C)CC1 ZINC000022923545 555976098 /nfs/dbraw/zinc/97/60/98/555976098.db2.gz HXUHXJOMHFVGJN-WPYKKVEZSA-N 0 3 472.586 0.957 40 0 biogenic,in-vitro JCABHN CN1CCN(CC[C@@H](O)COc2ccc(OC[C@@H](O)CCN3CCN(C)CC3)cc2)CC1 ZINC000022924032 555976527 /nfs/dbraw/zinc/97/65/27/555976527.db2.gz SLVBIVRXIBXHHB-SZPZYZBQSA-N 0 3 450.624 0.441 40 0 JCABHN CN1CCN(CCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1 ZINC000022933892 555986553 /nfs/dbraw/zinc/98/65/53/555986553.db2.gz RHLIHJATQFKHEM-UHFFFAOYSA-N 0 3 494.399 0.811 40 0 JCABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21)N1CCN(c2ccccc2)CC1 ZINC000022936822 555989868 /nfs/dbraw/zinc/98/98/68/555989868.db2.gz XUACQPIWDAZGPA-LEEZEASISA-N 0 3 481.597 0.932 40 0 biogenic,in-vitro JCABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21)N1CCN(c2ccccn2)CC1 ZINC000022936868 555989821 /nfs/dbraw/zinc/98/98/21/555989821.db2.gz ZOZFUYYGOWRPSY-JQVVWYNYSA-N 0 3 482.585 0.327 40 0 biogenic,in-vitro JCABHN O=C(CNCc1ccc2c(c1)OCO2)N1CCN(C(=O)CNCc2ccc3c(c2)OCO3)CC1 ZINC000035311415 569680171 /nfs/dbraw/zinc/68/01/71/569680171.db2.gz VZWXXGUGQVRUIG-UHFFFAOYSA-N 0 3 468.510 0.694 40 0 JCABHN O=S1(=O)NC[C@H](O)CN(CC2CCCC2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2ccccc21 ZINC000108318285 569859463 /nfs/dbraw/zinc/85/94/63/569859463.db2.gz KSLHVNSPXCQKRH-VWNVYAMZSA-N 0 3 454.589 0.712 40 0 JCABHN CN1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 ZINC000253401118 570096543 /nfs/dbraw/zinc/09/65/43/570096543.db2.gz MMTPZOZHFBYUAS-NRTAZHGZSA-N 0 3 486.613 0.714 40 0 JCABHN O=S1(=O)NC[C@H](O)CNC[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253407449 570097240 /nfs/dbraw/zinc/09/72/40/570097240.db2.gz WKVQVBCGMFXJGG-HCBXPFHNSA-N 0 3 466.531 0.616 40 0 JCABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000257207426 570110129 /nfs/dbraw/zinc/11/01/29/570110129.db2.gz BHRZTVUTPNIGFP-DEOSSOPVSA-N 0 3 461.582 0.512 40 0 JCABHN CC(=O)NC1CCN(C[C@]2(O)CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000257207427 570110115 /nfs/dbraw/zinc/11/01/15/570110115.db2.gz BHRZTVUTPNIGFP-XMMPIXPASA-N 0 3 461.582 0.512 40 0 JCABHN CN(C)c1cc(N2CCC[C@@](O)(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)C2)ncn1 ZINC000257216325 570113063 /nfs/dbraw/zinc/11/30/63/570113063.db2.gz CTZVOYCQBHQYQR-RUZDIDTESA-N 0 3 484.601 0.901 40 0 JCABHN CN(C)c1cc(N2CCC[C@](O)(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)C2)ncn1 ZINC000257216326 570113096 /nfs/dbraw/zinc/11/30/96/570113096.db2.gz CTZVOYCQBHQYQR-VWLOTQADSA-N 0 3 484.601 0.901 40 0 JCABHN CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@H](n1cnc3c1ncnc3N)[C@@](C)(O)CO2 ZINC000257221534 570114575 /nfs/dbraw/zinc/11/45/75/570114575.db2.gz DPMDOHRFRZPCRO-HOIFWPIMSA-N 0 3 488.593 0.116 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)c3cccc(OCC[NH3+])c3)CC2)OC[C@@H]1n1cc(F)c(=O)[n-]c1=O ZINC000257224677 570115627 /nfs/dbraw/zinc/11/56/27/570115627.db2.gz FCVMMBVQTKDWRB-AVRDEDQJSA-N 0 3 476.505 0.813 40 0 JCABHN C[C@]1(O)COC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)C[C@@H]1n1cnc2c1nc(N)nc2N ZINC000257225332 570115775 /nfs/dbraw/zinc/11/57/75/570115775.db2.gz FFTFYNULQPUFOQ-QQMNAOGKSA-N 0 3 496.572 0.340 40 0 JCABHN CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@](C)(O)[C@@H](n1cnc3c1ncnc3N)CO2 ZINC000257226323 570116044 /nfs/dbraw/zinc/11/60/44/570116044.db2.gz FKECCDVFTPPMBT-HOIFWPIMSA-N 0 3 488.593 0.116 40 0 JCABHN Cc1cn([C@H]2CC3(CCN(C(=O)[C@@H](N)Cc4ccc(O)cc4)CC3)OC[C@]2(C)O)c(=O)[nH]c1=O ZINC000257228273 570116587 /nfs/dbraw/zinc/11/65/87/570116587.db2.gz FTFZDTHDQSVNAM-YDHSSHFGSA-N 0 3 472.542 0.607 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1ccc(N)nc1=O ZINC000257232699 570117802 /nfs/dbraw/zinc/11/78/02/570117802.db2.gz GMADQNUJNHPAFS-SPEDKVCISA-N 0 3 457.531 0.175 40 0 JCABHN CN1CCN(C[C@]2(O)CCN(CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)C2)CC1 ZINC000257238329 570119589 /nfs/dbraw/zinc/11/95/89/570119589.db2.gz HKLQFFOLIXJYKB-JOCHJYFZSA-N 0 3 451.999 0.799 40 0 JCABHN CN1CCN(C[C@@]2(O)CCN(CC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)C2)CC1 ZINC000257238330 570119568 /nfs/dbraw/zinc/11/95/68/570119568.db2.gz HKLQFFOLIXJYKB-QFIPXVFZSA-N 0 3 451.999 0.799 40 0 JCABHN Cn1c2c(ncn2[C@@H]2CN(C(=O)c3ccc(OCCN4CCCCC4)cc3)C[C@H]2O)c(=O)n(C)c1=O ZINC000257241722 570120603 /nfs/dbraw/zinc/12/06/03/570120603.db2.gz HZIKEEOVDRMTRM-WOJBJXKFSA-N 0 3 496.568 0.356 40 0 JCABHN CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)C[C@](C)(O)[C@@H](n1cc(Cl)c(=O)[n-]c1=O)CO2 ZINC000257244694 570121429 /nfs/dbraw/zinc/12/14/29/570121429.db2.gz IMJZSLBIXWUMPJ-FIKGOQFSSA-N 0 3 499.996 0.310 40 0 JCABHN CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)CC1 ZINC000257246472 570122016 /nfs/dbraw/zinc/12/20/16/570122016.db2.gz IUGCLATYPZUOKP-RUZDIDTESA-N 0 3 474.602 0.462 40 0 JCABHN CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)CC1 ZINC000257246473 570122010 /nfs/dbraw/zinc/12/20/10/570122010.db2.gz IUGCLATYPZUOKP-VWLOTQADSA-N 0 3 474.602 0.462 40 0 JCABHN C[NH2+]CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](n3cc(Br)c(=O)[n-]c3=O)C2)cc1 ZINC000257249027 570122899 /nfs/dbraw/zinc/12/28/99/570122899.db2.gz JGJSOSYRNPSLKB-GJZGRUSLSA-N 0 3 453.293 0.368 40 0 JCABHN CN(C)CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3cnc4c3nc(N)nc4N)[C@@H]2O)cc1 ZINC000257249451 570123115 /nfs/dbraw/zinc/12/31/15/570123115.db2.gz JIKVVFJJCATNBJ-JFIYKMOQSA-N 0 3 454.535 0.816 40 0 JCABHN Cn1c2c(ncn2[C@@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)C[C@H]2O)c(=O)n(C)c1=O ZINC000257250200 570123159 /nfs/dbraw/zinc/12/31/59/570123159.db2.gz JLMHNAKTXRTECM-RTBURBONSA-N 0 3 466.542 0.478 40 0 JCABHN CN1CCC(Cc2cccc(F)c2)(C(=O)N2C[C@@H](O)[C@H](n3cnc4c3n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000257258701 570125799 /nfs/dbraw/zinc/12/57/99/570125799.db2.gz KVDGOWDSDJZXQJ-RTBURBONSA-N 0 3 498.559 0.272 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCC[NH3+])cc3)CC2)OC[C@@H]1n1cc(F)c(=O)[n-]c1=O ZINC000257260628 570126596 /nfs/dbraw/zinc/12/65/96/570126596.db2.gz LDRGVXJBOLYBAI-AVRDEDQJSA-N 0 3 476.505 0.813 40 0 JCABHN C[C@]1(O)COC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)C[C@@H]1n1ccc(=O)[nH]c1=O ZINC000257265282 570128110 /nfs/dbraw/zinc/12/81/10/570128110.db2.gz LXZKZERRJBYDAE-SPEDKVCISA-N 0 3 458.515 0.298 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1cnc2c1ncnc2N ZINC000257274995 570131151 /nfs/dbraw/zinc/13/11/51/570131151.db2.gz NNOCBHIBEZLBKG-BSRJHKFKSA-N 0 3 481.557 0.758 40 0 JCABHN C[C@]1(O)COC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)C[C@@H]1n1ccc(N)nc1=O ZINC000257275035 570131187 /nfs/dbraw/zinc/13/11/87/570131187.db2.gz NNRHPJIYFUGXKF-SPEDKVCISA-N 0 3 457.531 0.175 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O ZINC000257281778 570133083 /nfs/dbraw/zinc/13/30/83/570133083.db2.gz OQZIKDIUKXNFIK-SPEDKVCISA-N 0 3 458.515 0.298 40 0 JCABHN CN1CCC(Cc2ccccc2)(C(=O)N2C[C@@H](O)[C@H](n3cnc4c3n(C)c(=O)n(C)c4=O)C2)CC1 ZINC000257288117 570135036 /nfs/dbraw/zinc/13/50/36/570135036.db2.gz PSXXYEVFBRHOSA-RTBURBONSA-N 0 3 480.569 0.133 40 0 JCABHN Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)c3ccc(OCCN(C)C)cc3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257293264 570136508 /nfs/dbraw/zinc/13/65/08/570136508.db2.gz QOTSDGYHLUQXKV-MFSJNOQSSA-N 0 3 474.558 0.614 40 0 JCABHN Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)c3cccc(OCCN(C)C)c3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257300788 570138650 /nfs/dbraw/zinc/13/86/50/570138650.db2.gz RVRGCDKXVVISTB-MFSJNOQSSA-N 0 3 474.558 0.614 40 0 JCABHN CN(C)CCOc1ccc(C(=O)N(C)[C@H]2CC[C@@](O)(Cn3cnc4c3ncnc4N)[C@H](O)C2)cc1 ZINC000257305836 570140159 /nfs/dbraw/zinc/14/01/59/570140159.db2.gz SRTZMYLBSKJEGM-RGZWJVDOSA-N 0 3 483.573 0.766 40 0 JCABHN CCOc1cc(CN2CC[C@@](O)(CN3CCN(C)CC3)C2)ccc1OCCN1CCOCC1 ZINC000257310192 570141382 /nfs/dbraw/zinc/14/13/82/570141382.db2.gz UEBVPEBKQVSQFP-RUZDIDTESA-N 0 3 462.635 0.981 40 0 JCABHN CCOc1cc(CN2CC[C@](O)(CN3CCN(C)CC3)C2)ccc1OCCN1CCOCC1 ZINC000257310193 570141404 /nfs/dbraw/zinc/14/14/04/570141404.db2.gz UEBVPEBKQVSQFP-VWLOTQADSA-N 0 3 462.635 0.981 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1cnc2c1nc(N)nc2N ZINC000257312882 570142422 /nfs/dbraw/zinc/14/24/22/570142422.db2.gz UQAPYGAVAQKJIW-QQMNAOGKSA-N 0 3 496.572 0.340 40 0 JCABHN Cc1cn([C@H]2COC3(CCN(C(=O)[C@@H](N)Cc4ccc(O)cc4)CC3)C[C@]2(C)O)c(=O)[nH]c1=O ZINC000257315062 570142948 /nfs/dbraw/zinc/14/29/48/570142948.db2.gz UZTCOSZXGJOFBK-YDHSSHFGSA-N 0 3 472.542 0.607 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)CCCC[NH3+])CC2)OC[C@@H]1n1cc(Br)c(=O)[n-]c1=O ZINC000257319911 570144419 /nfs/dbraw/zinc/14/44/19/570144419.db2.gz VUORMHMSYGYHCV-KSSFIOAISA-N 0 3 473.368 0.914 40 0 JCABHN CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)[C@@H]2C[C@@]1(C)O ZINC000257322855 570145420 /nfs/dbraw/zinc/14/54/20/570145420.db2.gz WHSHKJKOQMAXDS-VWBWNGLSSA-N 0 3 475.586 0.933 40 0 JCABHN [NH3+]CCCOc1ccc(C(=O)N2C[C@H](O)[C@@H](n3cc(Br)c(=O)[n-]c3=O)C2)cc1 ZINC000257326357 570146417 /nfs/dbraw/zinc/14/64/17/570146417.db2.gz WWYIMZIWIRPEIZ-GJZGRUSLSA-N 0 3 453.293 0.497 40 0 JCABHN C[NH2+]CCOc1cccc(C(=O)N2C[C@H](O)[C@@H](n3cc(Br)c(=O)[n-]c3=O)C2)c1 ZINC000257326601 570146540 /nfs/dbraw/zinc/14/65/40/570146540.db2.gz WXVQDTUHEMFNAN-GJZGRUSLSA-N 0 3 453.293 0.368 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)CCC[NH3+])CC2)OC[C@@H]1n1cc(Br)c(=O)[n-]c1=O ZINC000257330973 570147802 /nfs/dbraw/zinc/14/78/02/570147802.db2.gz XQVPIIKTHATQND-GUYCJALGSA-N 0 3 459.341 0.524 40 0 JCABHN CN(C(=O)c1cccc(OCCN2CCCC2)c1)[C@H]1CC[C@@](O)(Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC000257331250 570147957 /nfs/dbraw/zinc/14/79/57/570147957.db2.gz XRZFJBWWIQHPKJ-PIBDYAPNSA-N 0 3 486.569 0.840 40 0 JCABHN C[C@]1(O)CC2(CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)OC[C@@H]1n1cc(Cl)c(=O)[nH]c1=O ZINC000257340390 570150535 /nfs/dbraw/zinc/15/05/35/570150535.db2.gz ZFUZQLJXZNDPBU-SPEDKVCISA-N 0 3 492.960 0.952 40 0 JCABHN CNc1cc(N2CCC[C@](O)(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)C2)ncn1 ZINC000257342847 570151301 /nfs/dbraw/zinc/15/13/01/570151301.db2.gz ZQJCNLRGNRXKFQ-DEOSSOPVSA-N 0 3 470.574 0.877 40 0 JCABHN CNc1cc(N2CCC[C@@](O)(CNCc3ccc(OCC(=O)N4CCOCC4)cc3)C2)ncn1 ZINC000257342848 570151255 /nfs/dbraw/zinc/15/12/55/570151255.db2.gz ZQJCNLRGNRXKFQ-XMMPIXPASA-N 0 3 470.574 0.877 40 0 JCABHN CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCC(=O)N3CCOCC3)cc2)[C@H](O)C1 ZINC000257343213 570151281 /nfs/dbraw/zinc/15/12/81/570151281.db2.gz ZRXOLWJRFWCTML-HMXCVIKNSA-N 0 3 479.574 0.745 40 0 JCABHN CN1CCN(CCCNC(=O)c2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)CC1 ZINC000306133538 570178351 /nfs/dbraw/zinc/17/83/51/570178351.db2.gz MOVPSSFEKTWREZ-GOSISDBHSA-N 0 3 462.620 0.841 40 0 JCABHN 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1068010964 /nfs/dbraw/zinc/01/09/64/1068010964.db2.gz WSCHQAKILQURGF-CTNGQTDRSA-N 0 3 452.529 0.599 40 0 JCABHN O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCS(=O)(=O)CC1 ZINC000604381610 1069608938 /nfs/dbraw/zinc/60/89/38/1069608938.db2.gz HZJHQRWQBWBGLE-UZKILMIQSA-N 0 3 492.516 0.728 40 0 biogenic,in-vitro JCABHN