smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2cnccc2C(=O)c31 ZINC000001538985 204012630 /nfs/dbraw/zinc/01/26/30/204012630.db2.gz JLILFHIHWMKLHL-UHFFFAOYSA-N 2 0 366.425 0.595 1 10 FCCFRP [NH3+]CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH3+])cc1C2=O ZINC000040873631 205083323 /nfs/dbraw/zinc/08/33/23/205083323.db2.gz BPBFDGSXCLVKHI-UHFFFAOYSA-N 2 0 352.350 0.256 1 10 FCCFRP C[NH+](C)CCc1cn(CC[NH2+]CCO)c2c1C(=O)c1ccncc1C2=O ZINC000071341665 221345480 /nfs/dbraw/zinc/34/54/80/221345480.db2.gz XPHAPLKWLFDFMA-UHFFFAOYSA-N 2 0 356.426 0.345 1 10 FCCFRP