smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[C@@H](CCCC(=O)[O-])C(=O)[O-] ZINC000003033094 363082218 /nfs/dbraw/zinc/08/22/18/363082218.db2.gz BXXCVHNCCFZMSE-NSHDSACASA-N -2 0 244.331 3.303 40 30 biogenic,in-vitro BGEBRL CCCCCCC[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000003033113 168658246 /nfs/dbraw/zinc/65/82/46/168658246.db2.gz BXXCVHNCCFZMSE-LLVKDONJSA-N -2 0 244.331 3.303 40 30 biogenic,in-vitro BGEBRL C=CCCCCCC[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000031163538 259515504 /nfs/dbraw/zinc/51/55/04/259515504.db2.gz VQHQSUSDPCTSEX-LLVKDONJSA-N -2 0 242.315 3.079 40 30 biogenic,in-vitro BGEBRL C=CCCCCCC[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000031163542 259515501 /nfs/dbraw/zinc/51/55/01/259515501.db2.gz VQHQSUSDPCTSEX-NSHDSACASA-N -2 0 242.315 3.079 40 30 biogenic,in-vitro BGEBRL CCCCCCCC/C(=C/CC(=O)[O-])C(=O)[O-] ZINC000072320176 168648517 /nfs/dbraw/zinc/64/85/17/168648517.db2.gz NIXDINZDFZJZHG-LUAWRHEFSA-N -2 0 242.315 3.223 40 30 biogenic,in-vitro BGEBRL