smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC(=O)[O-] 1529229 342946640 /nfs/dbraw/zinc/94/66/40/342946640.db2.gz GHVNFZFCNZKVNT-UHFFFAOYSA-N -1 0 172.268 3.212 50 30 endogenous,in-man AGEARM C/C(=N/O)c1cccc2ccccc12 17163516 166054960 /nfs/dbraw/zinc/05/49/60/166054960.db2.gz KHNGQTJKEPANSZ-LCYFTJDESA-N -1 0 185.226 3.038 50 30 AGEARM C=C(Cl)CCCCCCC(=O)[O-] 2579542 166135995 /nfs/dbraw/zinc/13/59/95/166135995.db2.gz MCKURDXPLDUVNU-UHFFFAOYSA-N -1 0 190.670 3.164 50 30 AGEARM CCCCCCCC/C=C/C(=O)[O-] 2390028 171005366 /nfs/dbraw/zinc/00/53/66/171005366.db2.gz IGBBVTAVILYDIO-MDZDMXLPSA-N -1 0 184.279 3.378 50 30 biogenic,in-vitro AGEARM CCCCCCCC(C)(C)C(=O)[O-] 2576998 171007948 /nfs/dbraw/zinc/00/79/48/171007948.db2.gz GZWHUSJKYLPRHF-UHFFFAOYSA-N -1 0 186.295 3.458 50 30 in-vitro AGEARM C=CCCCCCCCCC(=O)[O-] 1577120 171207302 /nfs/dbraw/zinc/20/73/02/171207302.db2.gz FRPZMMHWLSIFAZ-UHFFFAOYSA-N -1 0 184.279 3.378 50 30 endogenous,world AGEARM CCCCCCCC[C@@H]1C[C@@H]1C(=O)[O-] 2025164 342967139 /nfs/dbraw/zinc/96/71/39/342967139.db2.gz FLZRNGWKTVAXBN-MNOVXSKESA-N -1 0 198.306 3.458 50 30 in-vitro AGEARM CCCCCCCC[C@H]1C[C@@H]1C(=O)[O-] 2025162 342967224 /nfs/dbraw/zinc/96/72/24/342967224.db2.gz FLZRNGWKTVAXBN-QWRGUYRKSA-N -1 0 198.306 3.458 50 30 in-vitro AGEARM CCCCCCCC[C@H]1C[C@H]1C(=O)[O-] 2025156 342967257 /nfs/dbraw/zinc/96/72/57/342967257.db2.gz FLZRNGWKTVAXBN-WDEREUQCSA-N -1 0 198.306 3.458 50 30 in-vitro AGEARM CCCCCCCC[C@@H]1C[C@H]1C(=O)[O-] 2025160 342967320 /nfs/dbraw/zinc/96/73/20/342967320.db2.gz FLZRNGWKTVAXBN-GHMZBOCLSA-N -1 0 198.306 3.458 50 30 in-vitro AGEARM CCCCCCC[C@H](C)C(=O)[O-] 2530734 342974697 /nfs/dbraw/zinc/97/46/97/342974697.db2.gz KUSYIGBGHPOWEL-VIFPVBQESA-N -1 0 172.268 3.068 50 30 AGEARM CCCCCCCOC(=S)[S-] 2271671 351305390 /nfs/dbraw/zinc/30/53/90/351305390.db2.gz WKMBNCWYZBDIEA-UHFFFAOYSA-N -1 0 192.349 3.188 50 30 AGEARM CCCCCCC[C@@H](C)C(=O)[O-] 3074789 351316028 /nfs/dbraw/zinc/31/60/28/351316028.db2.gz KUSYIGBGHPOWEL-SECBINFHSA-N -1 0 172.268 3.068 50 30 AGEARM