smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@H]([NH3+])C(=O)N(O)CCC[NH+](C)C ZINC000064750251 190703876 /nfs/dbraw/zinc/70/38/76/190703876.db2.gz NZXGKKKJTMSVNH-INIZCTEOSA-N 2 0 315.502 3.014 1 30 DGEFRP NC(=[NH2+])c1ccc2cc(C#Cc3ccc(CC[NH3+])cc3)ccc2c1 ZINC000043010646 183327695 /nfs/dbraw/zinc/32/76/95/183327695.db2.gz JLSIILVVRQGIJO-UHFFFAOYSA-N 2 0 313.404 3.025 1 30 DGEFRP CCCCCCCCCCCC[NH2+][C@@H](CCCC[NH3+])C(N)=O ZINC000043366311 183357281 /nfs/dbraw/zinc/35/72/81/183357281.db2.gz UIUZIOPTAVDIIT-KRWDZBQOSA-N 2 0 313.530 3.480 1 30 DGEFRP C[N+]1(C)CCC[C@@H]1/C=C1\CCC/C(=C\[C@@H]2CCC[N+]2(C)C)C1=O ZINC000027216840 717114495 /nfs/dbraw/zinc/11/44/95/717114495.db2.gz SZZCNWCUGVBMLE-PHOHTVNLSA-N 2 0 318.505 3.070 1 30 DGEFRP CCCCCCCCCCCCNC(=O)[C@H]([NH3+])CCCC[NH3+] ZINC000043491036 183366322 /nfs/dbraw/zinc/36/63/22/183366322.db2.gz YKFORZPFABJQKU-QGZVFWFLSA-N 2 0 313.530 3.480 1 30 DGEFRP CCCCCCCCCCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000043328160 183355346 /nfs/dbraw/zinc/35/53/46/183355346.db2.gz YKFORZPFABJQKU-KRWDZBQOSA-N 2 0 313.530 3.480 1 30 DGEFRP CCCCCCCCCCCC[NH2+][C@H](CCCC[NH3+])C(N)=O ZINC000043366313 183357201 /nfs/dbraw/zinc/35/72/01/183357201.db2.gz UIUZIOPTAVDIIT-QGZVFWFLSA-N 2 0 313.530 3.480 1 30 DGEFRP