smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)CC(=O)Nc1ccc(C)c(NC(=O)C[N+](C)(CC)CC)c1 ZINC000005651701 717100097 /nfs/dbraw/zinc/10/00/97/717100097.db2.gz MFBCDIIZMCJCNE-UHFFFAOYSA-P 2 0 378.561 2.845 10 30 GFEERP CC[N+](C)(CC)CC(=O)Nc1cc(C)cc(NC(=O)C[N+](C)(CC)CC)c1 ZINC000100073534 717142333 /nfs/dbraw/zinc/14/23/33/717142333.db2.gz ZXISGGMJMCMFJH-UHFFFAOYSA-P 2 0 378.561 2.845 10 30 GFEERP C[N+]1(CC(=O)Nc2cccc(NC(=O)C[N+]3(C)CCCCC3)c2)CCCCC1 ZINC000033878431 717123099 /nfs/dbraw/zinc/12/30/99/717123099.db2.gz DBUOCHNNHJTMAW-UHFFFAOYSA-P 2 0 388.556 2.825 10 30 GFEERP C=CC[N@@H+]1C[C@H](C(=O)NCCC[NH+](C)C)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000035643766 518872947 /nfs/dbraw/zinc/87/29/47/518872947.db2.gz JJTHJEHDIBAMMM-YFVAEKQCSA-N 2 0 380.536 2.752 10 30 in-vitro GFEERP