smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(C)C ZINC000161146044 351084621 /nfs/dbraw/zinc/08/46/21/351084621.db2.gz VACCAUQZGWNGCS-AWEZNQCLSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@H](C(=O)Nc1cc(C)ccc1C)N(C)C ZINC000161130244 384468108 /nfs/dbraw/zinc/46/81/08/384468108.db2.gz JUGYNGFXRJVCSP-CQSZACIVSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@H](C(=O)Nc1cccc(CC)c1)N(C)C ZINC000161191919 323185874 /nfs/dbraw/zinc/18/58/74/323185874.db2.gz SABDAGWOETVJGM-CQSZACIVSA-N 0 1 248.370 2.918 10 70 BFIEMN CCC[C@H](C(=O)Nc1cccc(C)c1C)N(C)C ZINC000161145301 384468316 /nfs/dbraw/zinc/46/83/16/384468316.db2.gz DMWTXNITNFVXSB-CQSZACIVSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@@H](C(=O)Nc1cccc(CC)c1)N(C)C ZINC000161191822 323185686 /nfs/dbraw/zinc/18/56/86/323185686.db2.gz SABDAGWOETVJGM-AWEZNQCLSA-N 0 1 248.370 2.918 10 70 BFIEMN CCC[C@@H](C(=O)Nc1cccc(C)c1C)N(C)C ZINC000161145191 169346063 /nfs/dbraw/zinc/34/60/63/169346063.db2.gz DMWTXNITNFVXSB-AWEZNQCLSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@@H](C(=O)Nc1ccc(C)cc1C)N(C)C ZINC000161145597 169346548 /nfs/dbraw/zinc/34/65/48/169346548.db2.gz SBKMDCKLKXMSOI-AWEZNQCLSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@H](C(=O)Nc1cccc(C)c1)N(C)C ZINC000161144203 384467822 /nfs/dbraw/zinc/46/78/22/384467822.db2.gz BIVKCPRLYWHDAI-CYBMUJFWSA-N 0 1 234.343 2.664 10 70 BFIEMN CCC[C@@H](C(=O)Nc1cc(C)ccc1C)N(C)C ZINC000161130133 169346123 /nfs/dbraw/zinc/34/61/23/169346123.db2.gz JUGYNGFXRJVCSP-AWEZNQCLSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@H](C(=O)Nc1ccc(CC)cc1)N(C)C ZINC000161178706 323150174 /nfs/dbraw/zinc/15/01/74/323150174.db2.gz FAPNOFIGKDOGEZ-CQSZACIVSA-N 0 1 248.370 2.918 10 70 BFIEMN CCC[C@H](C(=O)Nc1ccc(C)cc1C)N(C)C ZINC000161145723 384466497 /nfs/dbraw/zinc/46/64/97/384466497.db2.gz SBKMDCKLKXMSOI-CQSZACIVSA-N 0 1 248.370 2.972 10 70 BFIEMN Cc1cccc([C@@H](C)NC(=O)C(F)(F)F)c1 ZINC000160322131 355913229 /nfs/dbraw/zinc/91/32/29/355913229.db2.gz TYWAVIXCPJMXKT-MRVPVSSYSA-N 0 1 231.217 2.735 10 70 BFIEMN CCC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(C)C ZINC000161176777 323150133 /nfs/dbraw/zinc/15/01/33/323150133.db2.gz UJUNBDZSDHXNLS-AWEZNQCLSA-N 0 1 248.370 2.972 10 70 BFIEMN CCc1nc(CN[C@@H](C)c2ccccc2C)n[nH]1 ZINC000160269128 361303217 /nfs/dbraw/zinc/30/32/17/361303217.db2.gz LIWSHNNLNOBASB-NSHDSACASA-N 0 1 244.342 2.526 10 70 BFIEMN CCC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(C)C ZINC000161146138 351083982 /nfs/dbraw/zinc/08/39/82/351083982.db2.gz VACCAUQZGWNGCS-CQSZACIVSA-N 0 1 248.370 2.972 10 70 BFIEMN CCC[C@@H](C(=O)Nc1ccc(CC)cc1)N(C)C ZINC000161178592 323150074 /nfs/dbraw/zinc/15/00/74/323150074.db2.gz FAPNOFIGKDOGEZ-AWEZNQCLSA-N 0 1 248.370 2.918 10 70 BFIEMN CCC[C@@H](C(=O)Nc1cccc(C)c1)N(C)C ZINC000161144074 169346008 /nfs/dbraw/zinc/34/60/08/169346008.db2.gz BIVKCPRLYWHDAI-ZDUSSCGKSA-N 0 1 234.343 2.664 10 70 BFIEMN CCC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(C)C ZINC000161176892 323150111 /nfs/dbraw/zinc/15/01/11/323150111.db2.gz UJUNBDZSDHXNLS-CQSZACIVSA-N 0 1 248.370 2.972 10 70 BFIEMN