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@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@@H]1O ZINC000027518994 581095596 /nfs/dbraw/zinc/09/55/96/581095596.db2.gz GIJSEQPSPRTDPP-ZRSRNVLSSA-N 1 3 415.538 0.390 1 0 HCAFHO CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=[NH2+])[C@@H]1O ZINC000027518995 581095577 /nfs/dbraw/zinc/09/55/77/581095577.db2.gz GIJSEQPSPRTDPP-QTMHVTGLSA-N 1 3 415.538 0.390 1 0 HCAFHO CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@H]1O ZINC000058500443 581095722 /nfs/dbraw/zinc/09/57/22/581095722.db2.gz GIJSEQPSPRTDPP-RHQZKXFESA-N 1 3 415.538 0.390 1 0 HCAFHO CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=[NH2+])[C@H]1O ZINC000140489186 581095702 /nfs/dbraw/zinc/09/57/02/581095702.db2.gz GIJSEQPSPRTDPP-NTZUZEMLSA-N 1 3 415.538 0.390 1 0 HCAFHO