smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc2c1c(NCC[NH3+])c1c(c2NCC[NH3+])C(=O)c2ccccc2C1=O ZINC000040894208 205073487 /nfs/dbraw/zinc/07/34/87/205073487.db2.gz YCMLNQAYTJHLRJ-UHFFFAOYSA-N 2 0 394.500 2.726 1 10 GFCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCC[NH+](C)C)c3ccccc3[nH+]c12 ZINC000005845705 204152458 /nfs/dbraw/zinc/15/24/58/204152458.db2.gz OUYIZYVQLKWWQZ-UHFFFAOYSA-N 3 0 379.508 2.653 1 10 GFCFRP C[NH+](C)CCCNc1ccc(NCCCC[NH3+])c2c1C(=O)c1ccccc1C2=O ZINC000028770037 207347852 /nfs/dbraw/zinc/34/78/52/207347852.db2.gz JXADLOPDGNZPNH-UHFFFAOYSA-N 2 0 394.519 2.976 1 10 GFCFRP CCCc1cc(I)cc(C[NH2+]CCC[NH+](C)C)c1O ZINC000028242693 207337243 /nfs/dbraw/zinc/33/72/43/207337243.db2.gz HISJYEUJUPMBIC-UHFFFAOYSA-N 2 0 376.282 2.991 1 10 GFCFRP