smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(C)C1=S ZINC000019370555 182119626 /nfs/dbraw/zinc/11/96/26/182119626.db2.gz KEZZOKZWPBEFFS-UHFFFAOYSA-N 1 0 311.411 -1.420 50 10 DACARO CCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=S ZINC000019995860 182175390 /nfs/dbraw/zinc/17/53/90/182175390.db2.gz BCZAIIOCIYFSQD-MDZDMXLPSA-N 1 0 311.411 -1.372 50 10 DACARO O=C1NC(=S)N(C2CC2)C(=O)C1=CNCCN1CC[NH2+]CC1 ZINC000020290956 182203316 /nfs/dbraw/zinc/20/33/16/182203316.db2.gz IBYISYNOLZTLRC-PKNBQFBNSA-N 1 0 323.422 -1.229 50 10 DACARO