smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccccc1[C@H]1CNCCN1 ZINC000038541307 166103117 /nfs/dbraw/zinc/10/31/17/166103117.db2.gz ZDTWPFQUEVKTCT-SNVBAGLBSA-N 0 3 241.132 1.683 30 0 BDACHN Brc1ccccc1[C@@H]1CNCCN1 ZINC000038541304 166102920 /nfs/dbraw/zinc/10/29/20/166102920.db2.gz ZDTWPFQUEVKTCT-JTQLQIEISA-N 0 3 241.132 1.683 30 0 BDACHN C[C@H]([C@H]1SC=CN1C)N1CCC[C@@H](O)C1 ZINC000169618345 177031703 /nfs/dbraw/zinc/03/17/03/177031703.db2.gz LYGAFUROAPTUSD-GMTAPVOTSA-N 0 3 228.361 1.308 30 0 BDACHN C[C@H]([C@H]1SC=CN1C)N1CCC[C@H](O)C1 ZINC000100108684 384291487 /nfs/dbraw/zinc/29/14/87/384291487.db2.gz LYGAFUROAPTUSD-OUAUKWLOSA-N 0 3 228.361 1.308 30 0 BDACHN C[C@H]([C@@H]1SC=CN1C)N1CCC[C@H](O)C1 ZINC000100108690 177031231 /nfs/dbraw/zinc/03/12/31/177031231.db2.gz LYGAFUROAPTUSD-VWYCJHECSA-N 0 3 228.361 1.308 30 0 BDACHN C[C@H]([C@@H]1SC=CN1C)N1CCC[C@@H](O)C1 ZINC000101709268 177030874 /nfs/dbraw/zinc/03/08/74/177030874.db2.gz LYGAFUROAPTUSD-MXWKQRLJSA-N 0 3 228.361 1.308 30 0 BDACHN CCOC(OCC)[C@@H](N)Cc1ccccc1 ZINC000086453071 345936120 /nfs/dbraw/zinc/93/61/20/345936120.db2.gz DLQJXFYFGMPEIU-LBPRGKRZSA-N 0 3 223.316 1.956 30 0 BDACHN CCOC(OCC)[C@H](N)Cc1ccccc1 ZINC000086453070 345936034 /nfs/dbraw/zinc/93/60/34/345936034.db2.gz DLQJXFYFGMPEIU-GFCCVEGCSA-N 0 3 223.316 1.956 30 0 BDACHN