smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2c3cc(NCC[NH+](C)C)ccc3n(CC[NH+](C)C)c2[nH+]c2ccccc12 ZINC000084742314 205398417 /nfs/dbraw/zinc/39/84/17/205398417.db2.gz RTTIKBHDHKOSNI-UHFFFAOYSA-N 3 2 389.547 4.186 1 5 GIBFLP Cn1c2ccccc2c2c1c1cc(Br)ccc1[nH+]c2NCCC[NH3+] ZINC000169309489 205826580 /nfs/dbraw/zinc/82/65/80/205826580.db2.gz GENMUUHDYUOXSS-UHFFFAOYSA-N 2 2 383.293 4.403 1 5 GIBFLP CCCC[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)[NH+]1CCCCC1)C2 ZINC000073168973 208034040 /nfs/dbraw/zinc/03/40/40/208034040.db2.gz LWLXUWUHMUVTCQ-UCWJKEELSA-N 2 2 399.599 4.340 1 5 GIBFLP CC[NH+](CC)CCCNc1[nH+]ccc2c(C)c3nc4cc[nH]cc-4c(=O)c3cc21 ZINC000018168608 221388261 /nfs/dbraw/zinc/38/82/61/221388261.db2.gz URXKRPPJGJDRQW-UHFFFAOYSA-N 2 2 389.503 4.077 1 5 GIBFLP