smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@@H]1O ZINC000027518994 581095595 /nfs/dbraw/zinc/09/55/95/581095595.db2.gz GIJSEQPSPRTDPP-ZRSRNVLSSA-N 2 0 415.538 0.390 1 0 HCAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=[NH2+])[C@@H]1O ZINC000027518995 581095576 /nfs/dbraw/zinc/09/55/76/581095576.db2.gz GIJSEQPSPRTDPP-QTMHVTGLSA-N 2 0 415.538 0.390 1 0 HCAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@H]1O ZINC000058500443 581095721 /nfs/dbraw/zinc/09/57/21/581095721.db2.gz GIJSEQPSPRTDPP-RHQZKXFESA-N 2 0 415.538 0.390 1 0 HCAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=[NH2+])[C@H]1O ZINC000140489186 581095701 /nfs/dbraw/zinc/09/57/01/581095701.db2.gz GIJSEQPSPRTDPP-NTZUZEMLSA-N 2 0 415.538 0.390 1 0 HCAFRP