smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccc(-c2ccc3cc[nH+]c(N)c3c2)cc1 ZINC000045210686 175328839 /nfs/dbraw/zinc/32/88/39/175328839.db2.gz XNCOVYSVGGCBHI-UHFFFAOYSA-N 2 1 277.371 3.546 1 0 CHAFMP C[NH+](C)Cc1cccc(-c2ccc3cc[nH+]c(N)c3c2)c1 ZINC000045323869 175359547 /nfs/dbraw/zinc/35/95/47/175359547.db2.gz GXUGQUGTZCIKFA-UHFFFAOYSA-N 2 1 277.371 3.546 1 0 CHAFMP CC[NH2+]CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040410340 174254594 /nfs/dbraw/zinc/25/45/94/174254594.db2.gz AFQBCKMNPWLDPU-UHFFFAOYSA-N 2 1 277.799 3.690 1 0 CHAFMP Cc1ccc2c(c1C)C[N@H+](CCC[NH3+])C[C@H]2c1ccccc1 ZINC000038156051 174134452 /nfs/dbraw/zinc/13/44/52/174134452.db2.gz FCNHTDRCOYRUFC-FQEVSTJZSA-N 2 1 294.442 3.600 1 0 CHAFMP CC[NH2+]Cc1cccc(-c2ccc3cc[nH+]c(N)c3c2)c1 ZINC000045187972 175326220 /nfs/dbraw/zinc/32/62/20/175326220.db2.gz BXUAPKAQVAGTRR-UHFFFAOYSA-N 2 1 277.371 3.594 1 0 CHAFMP Cc1ccc2c(c1C)C[N@H+](CCC[NH3+])C[C@@H]2c1ccccc1 ZINC000038156050 174134641 /nfs/dbraw/zinc/13/46/41/174134641.db2.gz FCNHTDRCOYRUFC-HXUWFJFHSA-N 2 1 294.442 3.600 1 0 CHAFMP Cc1c[nH+]ccc1NCCn1cc[nH+]c1C1CCCCC1 ZINC000072154517 176327977 /nfs/dbraw/zinc/32/79/77/176327977.db2.gz VCBRBQFVAJNIMV-UHFFFAOYSA-N 2 1 284.407 3.746 1 0 CHAFMP Cc1[nH]c[nH+]c1[C@@H]1C[C@H]1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000045355902 175362085 /nfs/dbraw/zinc/36/20/85/175362085.db2.gz NOSCCMUAADBXHH-UKRRQHHQSA-N 2 1 289.810 3.655 1 0 CHAFMP Cc1[nH+]c[nH]c1[C@@H]1C[C@H]1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000045355902 175362087 /nfs/dbraw/zinc/36/20/87/175362087.db2.gz NOSCCMUAADBXHH-UKRRQHHQSA-N 2 1 289.810 3.655 1 0 CHAFMP