smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCl)Nc1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948280 721978030 /nfs/dbraw/zinc/97/80/30/721978030.db2.gz WHMFRSHOHPZJDS-UHFFFAOYSA-N 1 2 427.936 2.230 20 50 IEGDLO O=C(CCl)Nc1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948280 721978035 /nfs/dbraw/zinc/97/80/35/721978035.db2.gz WHMFRSHOHPZJDS-UHFFFAOYSA-N 1 2 427.936 2.230 20 50 IEGDLO O=C(CCl)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164949821 721980209 /nfs/dbraw/zinc/98/02/09/721980209.db2.gz QMDCBXBHGXWBNT-UHFFFAOYSA-N 1 2 427.936 2.230 20 50 IEGDLO O=C(CCl)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164949821 721980211 /nfs/dbraw/zinc/98/02/11/721980211.db2.gz QMDCBXBHGXWBNT-UHFFFAOYSA-N 1 2 427.936 2.230 20 50 IEGDLO