smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CC(NCCNC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000020840822 280912942 /nfs/dbraw/zinc/91/29/42/280912942.db2.gz OFXVCLLHEWMVEQ-UHFFFAOYSA-N 2 3 338.584 2.784 50 0 EFAAHP O[C@@]1(CNCCCC[NH+]2CCCCCC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063872068 472822719 /nfs/dbraw/zinc/82/27/19/472822719.db2.gz CTZANZXHEFDHHX-WOJBJXKFSA-N 2 3 337.552 2.612 50 0 EFAAHP O[C@@]1(CNCCCC[NH+]2CCCCCC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063872068 472822723 /nfs/dbraw/zinc/82/27/23/472822723.db2.gz CTZANZXHEFDHHX-WOJBJXKFSA-N 2 3 337.552 2.612 50 0 EFAAHP C[NH+](C)CCOc1ccccc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC000072135159 216023838 /nfs/dbraw/zinc/02/38/38/216023838.db2.gz UJEPZVOZMSUABW-UHFFFAOYSA-N 2 3 331.504 2.593 50 0 EFAAHP