smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[N@H+]2CCc3nnc(CNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1O ZINC000011872620 556369595 /nfs/dbraw/zinc/36/95/95/556369595.db2.gz WZQLUTUQSBDCSX-SFHVURJKSA-N 2 0 442.564 1.399 50 10 IDCARP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(C[NH+]3CCN(C)CC3)CC1)cc2=O ZINC000096014161 569380390 /nfs/dbraw/zinc/38/03/90/569380390.db2.gz OEKKFXIRILAERN-UHFFFAOYSA-N 2 0 430.553 1.461 50 10 IDCARP CCOc1cccc(C[N@H+]2CCc3nnc(CNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1O ZINC000011872618 556369413 /nfs/dbraw/zinc/36/94/13/556369413.db2.gz WZQLUTUQSBDCSX-GOSISDBHSA-N 2 0 442.564 1.399 50 10 IDCARP