smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H](C)NC(=O)CC1CCN(C)CC1 ZINC000216900369 385874626 /nfs/dbraw/zinc/87/46/26/385874626.db2.gz RHCCXQQZQZTVCO-JTQLQIEISA-N 0 3 228.336 0.869 40 70 BCIBHN COC[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000216922411 385875332 /nfs/dbraw/zinc/87/53/32/385875332.db2.gz LTVUMHPCTCAURS-SECBINFHSA-N 0 3 214.309 0.479 40 70 BCIBHN COC[C@@H](C)NC(=O)CC1CCN(C)CC1 ZINC000216900336 385875665 /nfs/dbraw/zinc/87/56/65/385875665.db2.gz RHCCXQQZQZTVCO-SNVBAGLBSA-N 0 3 228.336 0.869 40 70 BCIBHN COC[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000216922430 385874306 /nfs/dbraw/zinc/87/43/06/385874306.db2.gz LTVUMHPCTCAURS-VIFPVBQESA-N 0 3 214.309 0.479 40 70 BCIBHN