smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC1(CC=C)CCCC[N@H+]1Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000012583106 518690793 /nfs/dbraw/zinc/69/07/93/518690793.db2.gz RAQUUJDTKZMIQY-DEOSSOPVSA-N 1 3 428.617 3.760 10 30 IHEEHO C=CCC1(CC=C)CCCC[N@@H+]1Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000012583106 518690796 /nfs/dbraw/zinc/69/07/96/518690796.db2.gz RAQUUJDTKZMIQY-DEOSSOPVSA-N 1 3 428.617 3.760 10 30 IHEEHO C=CCC1(CC=C)CCCC[N@H+]1Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000012583099 518690152 /nfs/dbraw/zinc/69/01/52/518690152.db2.gz RAQUUJDTKZMIQY-XMMPIXPASA-N 1 3 428.617 3.760 10 30 IHEEHO C=CCC1(CC=C)CCCC[N@@H+]1Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000012583099 518690157 /nfs/dbraw/zinc/69/01/57/518690157.db2.gz RAQUUJDTKZMIQY-XMMPIXPASA-N 1 3 428.617 3.760 10 30 IHEEHO