smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=[NH+]/NC(=S)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000001657147 282280742 /nfs/dbraw/zinc/28/07/42/282280742.db2.gz LSIKPZPOJVHLHG-GYKGCMEESA-N 2 1 331.489 1.645 40 30 EDEBMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C#N)c1 ZINC000096186213 442061910 /nfs/dbraw/zinc/06/19/10/442061910.db2.gz SSMMSFXPTMZBTB-QZTJIDSGSA-N 2 1 326.444 1.685 40 30 EDEBMP