smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([C@H](C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n[nH]1 ZINC000217670150 373219259 /nfs/dbraw/zinc/21/92/59/373219259.db2.gz OUUBFVFISQYPIK-LURJTMIESA-N 0 1 292.299 -1.080 50 70 CAIAMN Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H](N)CO)C2 ZINC000217947871 279110663 /nfs/dbraw/zinc/11/06/63/279110663.db2.gz IYGIVFYFDCVJRA-QMMMGPOBSA-N 0 1 252.274 -1.749 50 70 CAIAMN Cc1nc([C@@H](C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n[nH]1 ZINC000217670064 373219879 /nfs/dbraw/zinc/21/98/79/373219879.db2.gz OUUBFVFISQYPIK-ZCFIWIBFSA-N 0 1 292.299 -1.080 50 70 CAIAMN