smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938394 608418656 /nfs/dbraw/zinc/41/86/56/608418656.db2.gz RLVAEYHWMGWECG-UHFFFAOYSA-N 2 2 383.416 -0.154 20 50 GBGDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938394 608418655 /nfs/dbraw/zinc/41/86/55/608418655.db2.gz RLVAEYHWMGWECG-UHFFFAOYSA-N 2 2 383.416 -0.154 20 50 GBGDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825938710 608418347 /nfs/dbraw/zinc/41/83/47/608418347.db2.gz WZMKASLHIAWCMS-UHFFFAOYSA-N 2 2 383.416 -0.154 20 50 GBGDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825938710 608418346 /nfs/dbraw/zinc/41/83/46/608418346.db2.gz WZMKASLHIAWCMS-UHFFFAOYSA-N 2 2 383.416 -0.154 20 50 GBGDLP