smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C=O ZINC000008437611 717106464 /nfs/dbraw/zinc/10/64/64/717106464.db2.gz VZSPQCMFLSGTPO-UJOXVDDTSA-O 0 0 648.795 6.257 10 50 in-vitro KKGERN CCCCCCCC/C=C\CCCCC[C@@H](CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)O[Si](C)(C)C(C)(C)C ZINC000605692196 717185591 /nfs/dbraw/zinc/18/55/91/717185591.db2.gz MSCLTGKUUFCOSQ-PPVLJJKSSA-O 0 0 556.925 8.117 10 50 KKGERN CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC[C@H](O)/C=C/C=O ZINC000008437606 717106846 /nfs/dbraw/zinc/10/68/46/717106846.db2.gz LQATVQHXAXOSAU-MMBFNGTLSA-O 0 0 650.811 6.049 10 50 in-vitro KKGERN CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C=O ZINC000008437610 717107046 /nfs/dbraw/zinc/10/70/46/717107046.db2.gz VZSPQCMFLSGTPO-ZNEBBSDWSA-O 0 0 648.795 6.257 10 50 in-vitro KKGERN CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC[C@@H](O)/C=C/C=O ZINC000008552325 717106599 /nfs/dbraw/zinc/10/65/99/717106599.db2.gz LQATVQHXAXOSAU-JWFZUSLHSA-O 0 0 650.811 6.049 10 50 in-vitro KKGERN CCCCCCCC/C=C\CCCCC[C@H](CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)O[Si](C)(C)C(C)(C)C ZINC000605692197 717185423 /nfs/dbraw/zinc/18/54/23/717185423.db2.gz MSCLTGKUUFCOSQ-SEKLMSHZSA-O 0 0 556.925 8.117 10 50 KKGERN