smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000004180562 169014162 /nfs/dbraw/zinc/01/41/62/169014162.db2.gz XXNIEFSVEBRDAT-WMLDXEAASA-N 1 0 247.426 4.532 1 0 BJAFRO CCCC[C@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@H+]2C1 ZINC000004180564 169013802 /nfs/dbraw/zinc/01/38/02/169013802.db2.gz XXNIEFSVEBRDAT-YOEHRIQHSA-N 1 0 247.426 4.532 1 0 BJAFRO CCCC[C@@H]1CC[C@H]2CCC[C@H](CCCC)[N@H+]12 ZINC000028755119 169013772 /nfs/dbraw/zinc/01/37/72/169013772.db2.gz UOCFXYGIGYAYGN-ARFHVFGLSA-N 1 0 237.431 4.752 1 0 BJAFRO CCCC[C@@H]1CC[C@@H]2CCC[C@H](CCCC)[N@H+]12 ZINC000028755122 169014394 /nfs/dbraw/zinc/01/43/94/169014394.db2.gz UOCFXYGIGYAYGN-XHSDSOJGSA-N 1 0 237.431 4.752 1 0 BJAFRO CCCC[C@@H]1CC[C@@H]2CCC[C@@H](CCCC)[N@H+]12 ZINC000028757151 168976135 /nfs/dbraw/zinc/97/61/35/168976135.db2.gz UOCFXYGIGYAYGN-OAGGEKHMSA-N 1 0 237.431 4.752 1 0 BJAFRO