smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@@H]1CC/C(C)=C\C(=O)[O-] ZINC000085991760 574416887 /nfs/dbraw/zinc/41/68/87/574416887.db2.gz QYCOHMYDSOZCQD-FLHGQHHUSA-N -2 0 334.456 4.661 10 30 endogenous,in-man EJEERL C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@@H]1CC/C(C)=C\C(=O)[O-] ZINC000100781147 571834619 /nfs/dbraw/zinc/83/46/19/571834619.db2.gz QYCOHMYDSOZCQD-STRGEQAOSA-N -2 0 334.456 4.661 10 30 endogenous,in-man EJEERL C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](C)CC(=O)[O-] ZINC000031155917 564176397 /nfs/dbraw/zinc/17/63/97/564176397.db2.gz HPQKNJHVWUWAOR-JVZMEXGZSA-N -2 0 336.472 4.741 10 30 EJEERL C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)[O-] ZINC000085991761 574416888 /nfs/dbraw/zinc/41/68/88/574416888.db2.gz QYCOHMYDSOZCQD-SGPNTULSSA-N -2 0 334.456 4.661 10 30 endogenous,in-man EJEERL C=C1CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC/C(C)=C\C(=O)[O-] ZINC000100781148 201804836 /nfs/dbraw/zinc/80/48/36/201804836.db2.gz QYCOHMYDSOZCQD-HYSLCPABSA-N -2 0 334.456 4.661 10 30 endogenous,in-man EJEERL C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](C)CC(=O)[O-] ZINC000031155912 564176405 /nfs/dbraw/zinc/17/64/05/564176405.db2.gz HPQKNJHVWUWAOR-BWCMQUJESA-N -2 0 336.472 4.741 10 30 EJEERL