smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(OCCN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)c1 ZINC000071890558 555746581 /nfs/dbraw/zinc/74/65/81/555746581.db2.gz YOWPFIAZUQLVMC-RUZDIDTESA-N 0 3 439.600 3.847 10 30 IHEEHN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)CCS)CC2 ZINC000022062061 522993936 /nfs/dbraw/zinc/99/39/36/522993936.db2.gz SZSJQKUURVMRBG-KRWDZBQOSA-N 0 3 431.554 3.597 10 30 IHEEHN C=CCOc1ccccc1CN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000299758134 519070764 /nfs/dbraw/zinc/07/07/64/519070764.db2.gz DAOXYIXEIBAHCL-IRLDBZIGSA-N 0 3 434.536 3.993 10 30 IHEEHN N#Cc1cccc(OCCN2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)c1 ZINC000071890557 557314994 /nfs/dbraw/zinc/31/49/94/557314994.db2.gz YOWPFIAZUQLVMC-VWLOTQADSA-N 0 3 439.600 3.847 10 30 IHEEHN