smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C([SiH3])(N(C)C)N(C)C 204988837 167827675 /nfs/dbraw/zinc/82/76/75/167827675.db2.gz PYADJUJOEUAIHD-UHFFFAOYSA-N 0 0 175.352 -1.352 40 70 AAIBRN NC(N)=CC(=O)NCCO 217740093 169136917 /nfs/dbraw/zinc/13/69/17/169136917.db2.gz AKJSIDKVLZETOS-UHFFFAOYSA-N 0 0 145.162 -1.579 40 70 AAIBRN [SiH2]1[SiH2][SiH2][SiH2][SiH2]1 245237883 169469628 /nfs/dbraw/zinc/46/96/28/169469628.db2.gz CVLHDNLPWKYNNR-UHFFFAOYSA-N 0 0 150.510 -4.581 40 70 in-vitro AAIBRN C[SiH2]C[SiH3] 201216869 171172868 /nfs/dbraw/zinc/17/28/68/171172868.db2.gz DLNFKXNUGNBIOM-UHFFFAOYSA-N 0 0 90.274 -1.056 40 70 AAIBRN CCn1nnnc1C(N)=O 218733681 344415703 /nfs/dbraw/zinc/41/57/03/344415703.db2.gz ARTGPWUGWDBPNC-UHFFFAOYSA-N 0 0 141.134 -1.208 40 70 AAIBRN CNC(=O)c1nnnn1C 218733878 344415783 /nfs/dbraw/zinc/41/57/83/344415783.db2.gz XNBKHKXLPKEQEI-UHFFFAOYSA-N 0 0 141.134 -1.430 40 70 AAIBRN