smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000004237328 291381768 /nfs/dbraw/zinc/38/17/68/291381768.db2.gz XYXTUMZCAQKLJP-LADGPHEKSA-N 2 1 438.575 4.068 40 30 biogenic,in-vitro IIEBMP CC[NH+](CC)CC(C)(C)C[NH+]1CCC(c2csc(Nc3ccc(C#N)nc3)n2)CC1 ZINC000585294745 569583897 /nfs/dbraw/zinc/58/38/97/569583897.db2.gz IZHWFABZJMFPSN-UHFFFAOYSA-N 2 1 426.634 4.701 40 30 IIEBMP