smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)Nc1cc(Cl)ccc1[S-] ZINC001174789474 761385326 /nfs/dbraw/zinc/38/53/26/761385326.db2.gz KPRUXRGZNYLMCE-UHFFFAOYSA-N -1 0 199.706 3.574 20 30 AHEDRM C=C(C)Nc1ccc(Cl)cc1[S-] ZINC001174793777 761393657 /nfs/dbraw/zinc/39/36/57/761393657.db2.gz OYLUTWNQTOPGRW-UHFFFAOYSA-N -1 0 199.706 3.574 20 30 AHEDRM C=C(C)Nc1c([S-])cccc1Cl ZINC001174795694 761395061 /nfs/dbraw/zinc/39/50/61/761395061.db2.gz YREPIEWTFUYYRD-UHFFFAOYSA-N -1 0 199.706 3.574 20 30 AHEDRM