smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000217492073 570317123 /nfs/dbraw/zinc/31/71/23/570317123.db2.gz XCKZTTMFKSVJQH-FQEVSTJZSA-N 2 1 393.597 2.003 50 70 GEIAMP CC[N@H+]1CCCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+](C)C(C)C)c2)CC1 ZINC000217096116 570312788 /nfs/dbraw/zinc/31/27/88/570312788.db2.gz VDTCESMVHFERCP-FQEVSTJZSA-N 2 1 393.572 2.303 50 70 GEIAMP CC[NH+]1CCCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000217096116 570312790 /nfs/dbraw/zinc/31/27/90/570312790.db2.gz VDTCESMVHFERCP-FQEVSTJZSA-N 2 1 393.572 2.303 50 70 GEIAMP CC[NH+]1CCCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000217096116 570312792 /nfs/dbraw/zinc/31/27/92/570312792.db2.gz VDTCESMVHFERCP-FQEVSTJZSA-N 2 1 393.572 2.303 50 70 GEIAMP