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(=O)[nH]nc1S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000551235221 531135720 /nfs/dbraw/zinc/13/57/20/531135720.db2.gz PFSAZEAGIREPJH-UHFFFAOYSA-N 0 2 384.380 0.990 10 30 GCEELN C#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000848957561 642568087 /nfs/dbraw/zinc/56/80/87/642568087.db2.gz ANAYIUBZXNINRB-UHFFFAOYSA-N 0 2 386.499 0.816 10 30 GCEELN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1nncs1 ZINC000424620312 531051085 /nfs/dbraw/zinc/05/10/85/531051085.db2.gz OLCAOEGJVJAQHF-QWRGUYRKSA-N 0 2 396.516 0.180 10 30 GCEELN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1C#N ZINC000465464700 530910483 /nfs/dbraw/zinc/91/04/83/530910483.db2.gz HGYABTQVOOIHBJ-BXKDBHETSA-N 0 2 384.483 0.828 10 30 GCEELN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1C#N ZINC000465464703 530910982 /nfs/dbraw/zinc/91/09/82/530910982.db2.gz 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CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C(C)C)n1 ZINC000349462641 530745094 /nfs/dbraw/zinc/74/50/94/530745094.db2.gz SRAHAPQYNNYIBE-UHFFFAOYSA-N 0 2 377.492 0.276 10 30 GCEELN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1C#N ZINC000465464702 530911036 /nfs/dbraw/zinc/91/10/36/530911036.db2.gz HGYABTQVOOIHBJ-JOYOIKCWSA-N 0 2 384.483 0.828 10 30 GCEELN C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000565424740 531185426 /nfs/dbraw/zinc/18/54/26/531185426.db2.gz ACJUSCOIUPVFNM-SECBINFHSA-N 0 2 382.364 0.744 10 30 GCEELN C=CCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000565424744 531185760 /nfs/dbraw/zinc/18/57/60/531185760.db2.gz ACJUSCOIUPVFNM-VIFPVBQESA-N 0 2 382.364 0.744 10 30 GCEELN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc2[nH]c1=S ZINC000768598574 640756797 /nfs/dbraw/zinc/75/67/97/640756797.db2.gz OJCMNLAHLCPQPU-SECBINFHSA-N 0 2 382.467 0.278 10 30 GCEELN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000549767791 1192875715 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