smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c([nH+]c1P(=O)([O-])[O-])CCCC2 ZINC000217696424 398323121 /nfs/dbraw/zinc/32/31/21/398323121.db2.gz MQCQHFZAADIBJH-UHFFFAOYSA-N -1 1 216.177 0.102 40 70 BCIBMM O=P([O-])([O-])c1[nH]c2c([nH+]1)CCCCC2 ZINC000217696204 398323482 /nfs/dbraw/zinc/32/34/82/398323482.db2.gz QUOZGLHQZDXEGY-UHFFFAOYSA-N -1 1 216.177 0.482 40 70 BCIBMM O=P([O-])([O-])c1[nH]c2c([nH+]1)CCCC2 ZINC000217696318 398323494 /nfs/dbraw/zinc/32/34/94/398323494.db2.gz TVROAKULNYWSIH-UHFFFAOYSA-N -1 1 202.150 0.092 40 70 BCIBMM COCCCc1cc(=O)[n-]c(COC)n1 ZINC000217786160 174265713 /nfs/dbraw/zinc/26/57/13/174265713.db2.gz IXEPLAQCSDDISI-UHFFFAOYSA-N -1 1 212.249 0.908 40 70 BCIBMM COC(=O)c1n[n-]c(C(F)F)c1C(=O)OC ZINC000217780509 398323973 /nfs/dbraw/zinc/32/39/73/398323973.db2.gz WSRYBFRSVJAWNE-UHFFFAOYSA-N -1 1 234.158 0.921 40 70 BCIBMM Cn1c2c([nH+]c1P(=O)([O-])[O-])CCCCC2 ZINC000217696090 388570759 /nfs/dbraw/zinc/57/07/59/388570759.db2.gz WJXLZALVXCBFHN-UHFFFAOYSA-N -1 1 230.204 0.492 40 70 BCIBMM