smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000216922331 389134054 /nfs/dbraw/zinc/13/40/54/389134054.db2.gz RZDLRSPAWNIYHS-UHFFFAOYSA-N 2 0 282.432 0.082 40 70 CCIBRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000216913327 529771262 /nfs/dbraw/zinc/77/12/62/529771262.db2.gz OXUMRBZOTRRGBE-AWEZNQCLSA-N 2 0 282.432 0.082 40 70 CCIBRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000216913302 529771156 /nfs/dbraw/zinc/77/11/56/529771156.db2.gz OXUMRBZOTRRGBE-CQSZACIVSA-N 2 0 282.432 0.082 40 70 CCIBRP C[NH+]1CCC(CC(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000216900092 397433452 /nfs/dbraw/zinc/43/34/52/397433452.db2.gz CAKMRQMQMYACFX-UHFFFAOYSA-N 2 0 296.459 0.472 40 70 CCIBRP C[NH+]1[Si](C)(C)N[SiH2]N[Si](C)(C)[N@@H+](C)[Si]1(C)C ZINC000169747583 567213713 /nfs/dbraw/zinc/21/37/13/567213713.db2.gz OVFDKWVWCVKIRM-UHFFFAOYSA-N 2 0 292.684 0.147 40 70 CCIBRP C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000216922299 389134035 /nfs/dbraw/zinc/13/40/35/389134035.db2.gz MPTZHJMBOAJQFP-UHFFFAOYSA-N 2 0 253.390 0.930 40 70 CCIBRP