smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2cn(C)cn2)CC1 8622559 BJGAEDRBKVOCQI-UHFFFAOYSA-N 444.517 2.247 10 30 IECC CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C2=O 8647981 SGWUQFUQBHYWID-UHFFFAOYSA-N 440.360 2.163 10 30 IECC CC(=O)Nc1cccc2c1C(=O)c1c(Br)cc(S(=O)(=O)O)c(N)c1C2=O 150151795 ARTYZVXYSQZJOT-UHFFFAOYSA-N 439.243 2.012 10 30 IECC