smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C[N+](C)(C)CCCCCC(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O ZINC000073224676 717134123 /nfs/dbraw/zinc/13/41/23/717134123.db2.gz QLJCNIPDKOLMJP-FQEVSTJZSA-N 1 0 546.157 4.670 1 50 KJGFRO Cn1c(C[N+](C)(C)CCCCCC(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O ZINC000073224677 717134455 /nfs/dbraw/zinc/13/44/55/717134455.db2.gz QLJCNIPDKOLMJP-HXUWFJFHSA-N 1 0 546.157 4.670 1 50 KJGFRO C[N+](C)(C)CC(=O)NNC(=CC(=O)C[C@@H](c1ccccc1)C1COc2ccccc2C1=O)C(=O)Nc1cccc(Cl)c1 ZINC000102972163 717146233 /nfs/dbraw/zinc/14/62/33/717146233.db2.gz YRJZYPXPYLNZLK-SANMLTNESA-O 1 0 590.100 4.952 1 50 KJGFRO C[N+](C)(C)CC(=O)NNC(=CC(=O)C[C@H](c1ccccc1)C1COc2ccccc2C1=O)C(=O)Nc1cccc(Cl)c1 ZINC000102972166 717146103 /nfs/dbraw/zinc/14/61/03/717146103.db2.gz YRJZYPXPYLNZLK-AREMUKBSSA-O 1 0 590.100 4.952 1 50 KJGFRO O=C(Cc1ccccc1)O[C@H]1CCC[C@H]2C[C@H]3C(=O)N4[C@H]5C(=COC=C[C@@H]5OC(=O)Cc5ccccc5)C[C@]45SS[N+]3(C5=O)[C@@H]21 ZINC000238773199 717163221 /nfs/dbraw/zinc/16/32/21/717163221.db2.gz HXOOOADLZZZVBR-FIPUVCCESA-N 1 0 645.779 4.628 1 50 KJGFRO