smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1=CCC[C@]23O[C@@H]4[C@@H]5[C@H]2[N@+]2(CC[C@@H]5[C@@]5(C2)CCC=CCCCC[N@H+]4[C@@H]35)CCCC1 ZINC000255221344 717171124 /nfs/dbraw/zinc/17/11/24/717171124.db2.gz JMHLAJDWOVXASI-FBZVPOGFSA-N 2 2 395.611 4.641 1 5 GJBFLP C1=CCC[C@]23O[C@@H]4[C@@H]5[C@H]2[N@+]2(CC[C@@H]5[C@@]5(C2)CCC=CCCCC[N@@H+]4[C@@H]35)CCCC1 ZINC000255221344 717171127 /nfs/dbraw/zinc/17/11/27/717171127.db2.gz JMHLAJDWOVXASI-FBZVPOGFSA-N 2 2 395.611 4.641 1 5 GJBFLP COc1ccc2c(ccc3c4ccc(OC)cc4c(NCCC[NH+](C)C)[nH+]c23)c1 ZINC000013600430 210071431 /nfs/dbraw/zinc/07/14/31/210071431.db2.gz SBECIMMSUOMQEU-UHFFFAOYSA-N 2 2 389.499 4.922 1 5 GJBFLP CC[NH+](CC)CCNc1[nH+]ccc2c(C)c3c(cc21)c1cc(OC)ccc1n3C ZINC000029545843 207364476 /nfs/dbraw/zinc/36/44/76/207364476.db2.gz FIRFTJHDICWOJW-UHFFFAOYSA-N 2 2 390.531 4.950 1 5 GJBFLP