smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1nc(C[NH2+]C[C@H]2C[N@@+](C)(Cc3csc(CCCC)n3)CCO2)cs1 ZINC000248023593 556656561 /nfs/dbraw/zinc/65/65/61/556656561.db2.gz KNCHRXYDRLOVEW-RXFWQSSRSA-N 2 1 437.699 4.420 50 5 IIBAMP CCCCc1nc(C[NH2+]C[C@@H]2C[N@+](C)(Cc3csc(CCCC)n3)CCO2)cs1 ZINC000248023588 556656518 /nfs/dbraw/zinc/65/65/18/556656518.db2.gz KNCHRXYDRLOVEW-IBVKSMDESA-N 2 1 437.699 4.420 50 5 IIBAMP CCCCc1nc(C[NH2+]C[C@@H]2C[N@@+](C)(Cc3csc(CCCC)n3)CCO2)cs1 ZINC000248023583 556656639 /nfs/dbraw/zinc/65/66/39/556656639.db2.gz KNCHRXYDRLOVEW-FQRUVTKNSA-N 2 1 437.699 4.420 50 5 IIBAMP CCCCc1nc(C[NH2+]C[C@H]2C[N@+](C)(Cc3csc(CCCC)n3)CCO2)cs1 ZINC000248023576 556656670 /nfs/dbraw/zinc/65/66/70/556656670.db2.gz KNCHRXYDRLOVEW-FNZWTVRRSA-N 2 1 437.699 4.420 50 5 IIBAMP