smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CC(C)(C)C)C[P@@](=O)([O-])C[C@@H](C)CC(C)(C)C ZINC000013829496 567892500 /nfs/dbraw/zinc/89/25/00/567892500.db2.gz QUXFOKCUIZCKGS-OKILXGFUSA-N -1 1 290.428 5.401 40 0 CKABMM CCCC[C@@H](CC)C[P@@](=O)([O-])C[C@@H](CC)CCCC ZINC000034109998 570350901 /nfs/dbraw/zinc/35/09/01/570350901.db2.gz KZIUWSQALWALJH-IYBDPMFKSA-N -1 1 290.428 5.690 40 0 CKABMM CCC/C=C/c1cc2c(cc(CC=C(C)C)c([O-])c2C=O)o1 ZINC000040393546 174252504 /nfs/dbraw/zinc/25/25/04/174252504.db2.gz SBYYFNVKZGJIPR-VOTSOKGWSA-N -1 1 298.382 5.273 40 0 biogenic,in-vitro CKABMM C/C=C/C=C/c1cc2c(cc(CC=C(C)C)c([O-])c2C=O)o1 ZINC000225420699 567112682 /nfs/dbraw/zinc/11/26/82/567112682.db2.gz SEKUOZUOBHHCMJ-YTXTXJHMSA-N -1 1 296.366 5.049 40 0 biogenic,in-vitro CKABMM