smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)c1O ZINC000011872620 556369603 /nfs/dbraw/zinc/36/96/03/556369603.db2.gz WZQLUTUQSBDCSX-SFHVURJKSA-N 1 3 442.564 1.399 50 10 IDCAHO CCOc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)c1O ZINC000011872620 556369606 /nfs/dbraw/zinc/36/96/06/556369606.db2.gz WZQLUTUQSBDCSX-SFHVURJKSA-N 1 3 442.564 1.399 50 10 IDCAHO CCOc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)c1O ZINC000011872618 556369436 /nfs/dbraw/zinc/36/94/36/556369436.db2.gz WZQLUTUQSBDCSX-GOSISDBHSA-N 1 3 442.564 1.399 50 10 IDCAHO CCOc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC[N@@H+](C)C4)n3CC2)c1O ZINC000011872618 556369438 /nfs/dbraw/zinc/36/94/38/556369438.db2.gz WZQLUTUQSBDCSX-GOSISDBHSA-N 1 3 442.564 1.399 50 10 IDCAHO