smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(/N=N\c2ccccc2)cc1 101125986 GIJSVMOPNUOZBC-PFONDFGASA-N 196.253 4.410 10 50 AICA Cc1ccc(/N=N/c2ccccc2)cc1 18152807 GIJSVMOPNUOZBC-CCEZHUSRSA-N 196.253 4.410 10 50 AICA c1ccc(/N=N/c2ccccc2)cc1 3871618 DMLAVOWQYNRWNQ-BUHFOSPRSA-N 182.226 4.102 10 50 AICA in-vitro