smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(SCC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nnc1-c1ccccc1 ZINC000514290925 1066264611 /nfs/dbraw/zinc/26/46/11/1066264611.db2.gz BGAYZQOZLMNMSD-UHFFFAOYSA-N 0 0 513.624 2.403 20 30 KEEDRN C=CCn1c(SCC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nnc1-c1ccccc1OC ZINC000514291385 1066267427 /nfs/dbraw/zinc/26/74/27/1066267427.db2.gz FODHCZWIVZZEOG-UHFFFAOYSA-N 0 0 543.650 2.412 20 30 KEEDRN C=CCNc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)s1 ZINC000514291490 1066428566 /nfs/dbraw/zinc/42/85/66/1066428566.db2.gz GPTCPRJCTNKURW-UHFFFAOYSA-N 0 0 524.694 2.488 20 30 KEEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000514291573 1066266376 /nfs/dbraw/zinc/26/63/76/1066266376.db2.gz HRLMWHSPQXKYOS-UHFFFAOYSA-N 0 0 505.616 2.487 20 30 KEEDRN C=CCn1c(SCC(=O)NCCCN2CCCC2=O)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000514291595 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