smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@]2(C1)OC(N)=NC2=O 160715214 344175691 /nfs/dbraw/zinc/17/56/91/344175691.db2.gz AQAIIYXNAQYNNW-ZETCQYMHSA-N 1 1 169.184 -1.068 10 70 AAIEMO C[N@H+]1CC[C@@]2(C1)OC(N)=NC2=O 160715214 344175692 /nfs/dbraw/zinc/17/56/92/344175692.db2.gz AQAIIYXNAQYNNW-ZETCQYMHSA-N 1 1 169.184 -1.068 10 70 AAIEMO C[N@@H+]1CC[C@]2(C1)OC(N)=NC2=O 160715082 344175285 /nfs/dbraw/zinc/17/52/85/344175285.db2.gz AQAIIYXNAQYNNW-SSDOTTSWSA-N 1 1 169.184 -1.068 10 70 AAIEMO C[N@H+]1CC[C@]2(C1)OC(N)=NC2=O 160715082 344175288 /nfs/dbraw/zinc/17/52/88/344175288.db2.gz AQAIIYXNAQYNNW-SSDOTTSWSA-N 1 1 169.184 -1.068 10 70 AAIEMO [SiH3]N([SiH3])c1cccc[nH+]1 584607869 346724035 /nfs/dbraw/zinc/72/40/35/346724035.db2.gz MXCIGCPAZPFOQH-UHFFFAOYSA-N 1 1 154.321 -1.551 10 70 AAIEMO C[C@H]1CN([SiH3])C[C@H](C)[NH+]1[SiH3] 584615434 346729256 /nfs/dbraw/zinc/72/92/56/346729256.db2.gz HMEWCNYJYQYZCO-WDSKDSINSA-N 1 1 174.396 -2.058 10 70 AAIEMO C[C@H]1C[N@@H+]([SiH3])C[C@@H](C)N1[SiH3] 584615431 346729411 /nfs/dbraw/zinc/72/94/11/346729411.db2.gz HMEWCNYJYQYZCO-OLQVQODUSA-N 1 1 174.396 -2.058 10 70 AAIEMO C[C@H]1CN([SiH3])C[C@@H](C)[N@@H+]1[SiH3] 584615431 346729413 /nfs/dbraw/zinc/72/94/13/346729413.db2.gz HMEWCNYJYQYZCO-OLQVQODUSA-N 1 1 174.396 -2.058 10 70 AAIEMO C[C@H]1CN([SiH3])C[C@@H](C)[N@H+]1[SiH3] 584615431 346729414 /nfs/dbraw/zinc/72/94/14/346729414.db2.gz HMEWCNYJYQYZCO-OLQVQODUSA-N 1 1 174.396 -2.058 10 70 AAIEMO C[C@@H]1CN([SiH3])C[C@@H](C)[NH+]1[SiH3] 584615433 346729464 /nfs/dbraw/zinc/72/94/64/346729464.db2.gz HMEWCNYJYQYZCO-PHDIDXHHSA-N 1 1 174.396 -2.058 10 70 AAIEMO