smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC(=O)N[C@H](COP(=O)([O-])[O-])c1ccccc1Cl ZINC000043443008 205084045 /nfs/dbraw/zinc/08/40/45/205084045.db2.gz WVKXYVGIKXAOKA-OAHLLOKOSA-N -2 0 377.805 3.967 1 30 GHEFRL Cc1ccc(/C=C2\CN(P(=O)([O-])[O-])C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000064512054 205190933 /nfs/dbraw/zinc/19/09/33/205190933.db2.gz JZQSKNHDEGQHHO-AYKLPDECSA-N -2 0 383.384 3.748 1 30 GHEFRL CCCCCCCC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)OP(=O)([O-])[O-] ZINC000043946880 205085154 /nfs/dbraw/zinc/08/51/54/205085154.db2.gz WSWXSQNYFMZUDP-RDTXWAMCSA-N -2 0 387.413 3.711 1 30 GHEFRL C=C1C[C@]2(C(=O)[O-])C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C(=O)[O-] ZINC000049032561 560083929 /nfs/dbraw/zinc/08/39/29/560083929.db2.gz KXRIJKYODUQSSO-XAKDGQKMSA-N -2 0 378.465 3.504 1 30 biogenic,in-vitro GHEFRL O=C([O-])c1cc(/C=C2\CCC/C(=C\c3ccc(O)c(C(=O)[O-])c3)C2=O)ccc1O ZINC000028635312 207344826 /nfs/dbraw/zinc/34/48/26/207344826.db2.gz VLKHOGUOIBBDSJ-VOMDNODZSA-N -2 0 394.379 3.714 1 30 GHEFRL CCCCCCCC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)OP(=O)([O-])[O-] ZINC000014163027 207012331 /nfs/dbraw/zinc/01/23/31/207012331.db2.gz WSWXSQNYFMZUDP-KSSFIOAISA-N -2 0 387.413 3.711 1 30 GHEFRL