smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000216940201 548679168 /nfs/dbraw/zinc/67/91/68/548679168.db2.gz UZQOTGNXWGVRJK-UHFFFAOYSA-N -1 3 373.478 2.311 40 70 FEIBHM COc1ccccc1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000218401488 524402343 /nfs/dbraw/zinc/40/23/43/524402343.db2.gz YXECEFRHPMCWCZ-UHFFFAOYSA-N -1 3 362.451 2.429 40 70 FEIBHM CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218247888 525225577 /nfs/dbraw/zinc/22/55/77/525225577.db2.gz DCJWHXBTSCYQSX-QLFBSQMISA-N -1 3 373.478 2.341 40 70 FEIBHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000218404140 525217924 /nfs/dbraw/zinc/21/79/24/525217924.db2.gz MUXXVPVMLKQIEN-UHFFFAOYSA-N -1 3 372.406 2.038 40 70 FEIBHM CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000218247834 525227277 /nfs/dbraw/zinc/22/72/77/525227277.db2.gz DCJWHXBTSCYQSX-ILXRZTDVSA-N -1 3 373.478 2.341 40 70 FEIBHM O=c1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccc([O-])cc2o1 ZINC000217559598 548682573 /nfs/dbraw/zinc/68/25/73/548682573.db2.gz DQWGUKCFDDPOQF-DZGCQCFKSA-N -1 3 364.401 2.280 40 70 FEIBHM