smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000028770954 212108729 /nfs/dbraw/zinc/10/87/29/212108729.db2.gz GQWHVTJRYQMQQT-YNEHKIRRSA-N -1 2 388.313 -0.164 1 30 GBEFLM CCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000028770954 212108725 /nfs/dbraw/zinc/10/87/25/212108725.db2.gz GQWHVTJRYQMQQT-YNEHKIRRSA-N -1 2 388.313 -0.164 1 30 GBEFLM C=CC[C@]1(CO[P@](=O)([O-])O)O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049014435 212056987 /nfs/dbraw/zinc/05/69/87/212056987.db2.gz ZILBAUMADCCNNY-OTMMVIPVSA-N -1 2 387.289 -0.917 1 30 GBEFLM C=CC[C@]1(CO[P@@](=O)([O-])O)O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049014435 212056986 /nfs/dbraw/zinc/05/69/86/212056986.db2.gz ZILBAUMADCCNNY-OTMMVIPVSA-N -1 2 387.289 -0.917 1 30 GBEFLM C=CC[C@]1(CO[P@](=O)([O-])O)O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049014438 206209436 /nfs/dbraw/zinc/20/94/36/206209436.db2.gz ZILBAUMADCCNNY-FIDNZITISA-N -1 2 387.289 -0.917 1 30 GBEFLM C=CC[C@]1(CO[P@@](=O)([O-])O)O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049014438 206209433 /nfs/dbraw/zinc/20/94/33/206209433.db2.gz ZILBAUMADCCNNY-FIDNZITISA-N -1 2 387.289 -0.917 1 30 GBEFLM