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)c1ccccc1NC(=O)COc1ccc(F)c(F)c1 ZINC000005476355 181248014 /nfs/dbraw/zinc/24/80/14/181248014.db2.gz XIFLMLSTIOYBCX-UHFFFAOYSA-N 0 2 305.324 4.106 20 0 DIADLN CC[C@@H](C)[C@@H](C)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000180606586 331574478 /nfs/dbraw/zinc/57/44/78/331574478.db2.gz JIQCNTNIUFBFHT-HZPDHXFCSA-N 0 2 303.446 4.047 20 0 DIADLN Cc1ccsc1S(=O)(=O)Nc1ccccc1NC(C)(C)C ZINC000410410839 332124271 /nfs/dbraw/zinc/12/42/71/332124271.db2.gz ZIFFKNSZEPBLRP-UHFFFAOYSA-N 0 2 324.471 4.068 20 0 DIADLN Cc1cc2cc(C[NH2+][C@@H](C(=O)[O-])c3cccs3)oc2cc1C ZINC000426820815 332157702 /nfs/dbraw/zinc/15/77/02/332157702.db2.gz NMDLVKIVPORUOJ-MRXNPFEDSA-N 0 2 315.394 4.027 20 0 DIADLN CCN(CC)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000176947904 332965203 /nfs/dbraw/zinc/96/52/03/332965203.db2.gz HQOUXMGYHHAWQJ-UHFFFAOYSA-N 0 2 303.789 4.195 20 0 DIADLN O=C(c1cc(F)c(O)c(F)c1)N(CC1CCC1)c1ccccc1 ZINC000180140022 333027374 /nfs/dbraw/zinc/02/73/74/333027374.db2.gz ZVLLMEZNKZUFEB-UHFFFAOYSA-N 0 2 317.335 4.117 20 0 DIADLN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184472958 333360033 /nfs/dbraw/zinc/36/00/33/333360033.db2.gz JESDOYIPDAQGFT-QWRGUYRKSA-N 0 2 321.779 4.107 20 0 DIADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccoc1C1CC1 ZINC000337003642 333435483 /nfs/dbraw/zinc/43/54/83/333435483.db2.gz WFFZUMSUCXMVGY-UHFFFAOYSA-N 0 2 312.152 4.422 20 0 DIADLN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1O ZINC000436798850 334000809 /nfs/dbraw/zinc/00/08/09/334000809.db2.gz WCTCACUNKNPCEG-YGRLFVJLSA-N 0 2 313.800 4.226 20 0 DIADLN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(F)c(O)c(Cl)c1)C1CC1 ZINC000436858546 334008770 /nfs/dbraw/zinc/00/87/70/334008770.db2.gz OGMUKMMTPRTYAN-VHSXEESVSA-N 0 2 313.800 4.224 20 0 DIADLN C[C@H](c1cccs1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346305539 335398183 /nfs/dbraw/zinc/39/81/83/335398183.db2.gz 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338290186 /nfs/dbraw/zinc/29/01/86/338290186.db2.gz PHRCYEBPBPBNSP-JTQLQIEISA-N 0 2 321.779 4.238 20 0 DIADLN Cc1cccc(C(C)(C)NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000436860751 338290312 /nfs/dbraw/zinc/29/03/12/338290312.db2.gz YCCYBDUKPANGTF-UHFFFAOYSA-N 0 2 321.779 4.158 20 0 DIADLN Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436898185 338292472 /nfs/dbraw/zinc/29/24/72/338292472.db2.gz WWRNFFKDZLUSQK-LLVKDONJSA-N 0 2 321.779 4.293 20 0 DIADLN CC(C)C[C@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000436943805 338295116 /nfs/dbraw/zinc/29/51/16/338295116.db2.gz HDFQVCNSHDZQSO-LLVKDONJSA-N 0 2 313.800 4.083 20 0 DIADLN CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436962134 338296162 /nfs/dbraw/zinc/29/61/62/338296162.db2.gz WJHYUIVCMBVBSP-NSHDSACASA-N 0 2 313.800 4.226 20 0 DIADLN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436967592 338296351 /nfs/dbraw/zinc/29/63/51/338296351.db2.gz XONUWCPMJFCOLW-YGRLFVJLSA-N 0 2 313.800 4.226 20 0 DIADLN 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