smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCOC[C@@H](COP(=O)([O-])[O-])OCCCCCCCC ZINC000036179006 541108754 /nfs/dbraw/zinc/10/87/54/541108754.db2.gz GDLXQEKNJMCXRS-IBGZPJMESA-N -2 0 396.505 5.219 1 30 GKEFRL CCCCCCCCCCCCCCCCCC(O)(CC(=O)[O-])CC(=O)[O-] ZINC000043422620 207630010 /nfs/dbraw/zinc/63/00/10/207630010.db2.gz YMEXRAQNYJEAME-UHFFFAOYSA-N -2 0 386.573 5.928 1 30 GKEFRL CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)([O-])[O-] ZINC000032839081 571744815 /nfs/dbraw/zinc/74/48/15/571744815.db2.gz LBGSRVIXIVDRQM-OAXWQBPPSA-N -2 0 394.489 5.078 1 30 endogenous,in-man GKEFRL CCCCC1(CCCC)C(=O)C(=C([O-])C(C)C)C(=O)C(C(=O)C(C)C)=C1[O-] ZINC000100768545 211390380 /nfs/dbraw/zinc/39/03/80/211390380.db2.gz YAAYZDBDAVXWFW-UHFFFAOYSA-N -2 0 378.509 5.010 1 30 GKEFRL CCCCCCCCOC[C@H](COP(=O)([O-])[O-])OCCCCCCCC ZINC000038155532 541109236 /nfs/dbraw/zinc/10/92/36/541109236.db2.gz GDLXQEKNJMCXRS-LJQANCHMSA-N -2 0 396.505 5.219 1 30 GKEFRL CC1(C)CCC(C)(C)c2cc(C(=O)C=C([O-])c3ccc(C(=O)[O-])cc3)c(O)cc21 ZINC000100985953 211394351 /nfs/dbraw/zinc/39/43/51/211394351.db2.gz LGVRSJKCPCTEND-BKUYFWCQSA-N -2 0 394.467 5.221 1 30 GKEFRL