smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@]2(C)C(=NCCC[NH2+]CCCC[NH2+]CCCN)Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000028567073 563069774 /nfs/dbraw/zinc/06/97/74/563069774.db2.gz HDCSRUUKMLAMTD-SLTKKEMYSA-N 2 3 490.740 4.900 1 30 JJEFHP CNc1cccc2c1[C@H](C)C[C@]1(C)C(=NCCC[NH2+]CCCC[NH2+]CCCN)Nc3ccccc3[C@H]21 ZINC000013678598 562983711 /nfs/dbraw/zinc/98/37/11/562983711.db2.gz KYHHMZYIGABUMK-BOGJOCPPSA-N 2 3 490.740 4.896 1 30 JJEFHP C[C@H]1C[C@]2(C)C(=NCCC[NH2+]CCCC[NH2+]CCCN)Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000028567075 563069782 /nfs/dbraw/zinc/06/97/82/563069782.db2.gz HDCSRUUKMLAMTD-TVHSXNCYSA-N 2 3 490.740 4.900 1 30 JJEFHP