smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)Nc1ccnc2c1ccc1c(N[C@@H](C)CCC[NH+](CC)CC)ccnc12 ZINC000004428708 194390120 /nfs/dbraw/zinc/39/01/20/194390120.db2.gz AIVNBTKNMKJHQV-ZEQRLZLVSA-N 2 3 492.756 6.628 40 5 JKBBHP CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c1ccc1c(N[C@@H](C)CCC[NH+](CC)CC)ccnc12 ZINC000004428707 194389991 /nfs/dbraw/zinc/38/99/91/194389991.db2.gz AIVNBTKNMKJHQV-PSWAGMNNSA-N 2 3 492.756 6.628 40 5 JKBBHP CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c1ccc1c(N[C@H](C)CCC[NH+](CC)CC)ccnc12 ZINC000004428709 194390129 /nfs/dbraw/zinc/39/01/29/194390129.db2.gz AIVNBTKNMKJHQV-DNQXCXABSA-N 2 3 492.756 6.628 40 5 JKBBHP