smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000018847041 207098279 /nfs/dbraw/zinc/09/82/79/207098279.db2.gz GPKJTRJOBQGKQK-INIZCTEOSA-N 2 0 399.966 5.972 50 10 world GKCARP CCCC[NH+](CCCC)Cc1cc(O)c(C[NH+](CCCC)CCCC)cc1O ZINC000003899211 570353291 /nfs/dbraw/zinc/35/32/91/570353291.db2.gz NQWYXUYBLRJZPO-UHFFFAOYSA-N 2 0 392.628 5.902 50 10 GKCARP CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000018847040 221392586 /nfs/dbraw/zinc/39/25/86/221392586.db2.gz GPKJTRJOBQGKQK-MRXNPFEDSA-N 2 0 399.966 5.972 50 10 world GKCARP