smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-][C@@H](CC1=CCCCC1)c1ccccc1)C(F)(F)F ZINC000038142324 174134698 /nfs/dbraw/zinc/13/46/98/174134698.db2.gz ZVKOMUUFTGMLEF-AWEZNQCLSA-N -1 1 297.320 4.297 3 0 CIAFMM [O-]c1cc(Cl)ccc1Oc1ccc2ncccc2c1 ZINC000095601773 185015250 /nfs/dbraw/zinc/01/52/50/185015250.db2.gz BLKYBODYUBXWOM-UHFFFAOYSA-N -1 1 271.703 4.386 1 0 CIAFMM [O-]c1cc(C(F)=C(F)F)ccc1Oc1cccc(F)n1 ZINC000095575776 185011401 /nfs/dbraw/zinc/01/14/01/185011401.db2.gz PKNAJACOEMUPCS-UHFFFAOYSA-N -1 1 285.196 4.253 1 0 CIAFMM C[C@]12CCC([P@H](=O)[O-])=CC1=CCc1cc(Cl)ccc12 ZINC000026398330 171482553 /nfs/dbraw/zinc/48/25/53/171482553.db2.gz UAUZBNZBYMGCIQ-HNNXBMFYSA-N -1 1 294.718 4.225 1 0 CIAFMM CC(C)=CCc1c2[nH]c3ccccc3c2cc(C=O)c1[O-] ZINC000015272361 571739313 /nfs/dbraw/zinc/73/93/13/571739313.db2.gz ICYHRFZZQCYWNF-UHFFFAOYSA-N -1 1 279.339 4.348 1 0 endogenous,in-man CIAFMM CCCCCn1c(=S)[n-]nc1-c1cccc(Cl)c1 ZINC000095597207 185015020 /nfs/dbraw/zinc/01/50/20/185015020.db2.gz ZBWVNYMOPQGFMP-UHFFFAOYSA-N -1 1 281.812 4.451 1 0 CIAFMM CCn1c(=S)[n-]nc1[C@H](C)Oc1ccc2ccccc2c1 ZINC000045285555 175353370 /nfs/dbraw/zinc/35/33/70/175353370.db2.gz UIDKDPOOBGIADN-NSHDSACASA-N -1 1 299.399 4.254 1 0 CIAFMM O=C(Nc1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000095558951 185009775 /nfs/dbraw/zinc/00/97/75/185009775.db2.gz JRSQYHINKVFACC-UHFFFAOYSA-N -1 1 299.276 4.076 1 0 CIAFMM CC(C)=CCc1c2c(cc(C=O)c1[O-])c1ccccc1n2C ZINC000072113737 176318056 /nfs/dbraw/zinc/31/80/56/176318056.db2.gz HUOOGLOSOSLEPY-UHFFFAOYSA-N -1 1 293.366 4.358 1 0 CIAFMM CCn1c(=S)[n-]nc1[C@@H](C)Oc1ccc2ccccc2c1 ZINC000045285553 175353366 /nfs/dbraw/zinc/35/33/66/175353366.db2.gz UIDKDPOOBGIADN-LLVKDONJSA-N -1 1 299.399 4.254 1 0 CIAFMM