smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCc2cc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)ccc21 ZINC000019711230 539667593 /nfs/dbraw/zinc/66/75/93/539667593.db2.gz YKHKEGNNVFJMOT-UHFFFAOYSA-N 2 2 366.513 2.143 40 10 FECBLP c1cc(N2CCCC2)ccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000019711264 220288192 /nfs/dbraw/zinc/28/81/92/220288192.db2.gz SUZQFNBLHUTKQD-UHFFFAOYSA-N 2 2 366.513 2.361 40 10 FECBLP CN(C)c1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228922434 548754138 /nfs/dbraw/zinc/75/41/38/548754138.db2.gz LHIBITPCKRUBQE-UHFFFAOYSA-N 2 2 351.458 2.429 40 10 FECBLP