smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)c(O)c1 ZINC000185335952 337204287 /nfs/dbraw/zinc/20/42/87/337204287.db2.gz ZBAZYCYQBMIXCB-KKSFZXQISA-N 0 3 318.420 4.536 10 10 DJCEHN Cc1ccc(O)c([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000185335499 337204167 /nfs/dbraw/zinc/20/41/67/337204167.db2.gz MEWWBUQAPAQBKA-IIBYNOLFSA-N 0 3 318.420 4.536 10 10 DJCEHN Cc1ccc(O)c([C@H](C)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000185335518 337204282 /nfs/dbraw/zinc/20/42/82/337204282.db2.gz MEWWBUQAPAQBKA-HRAATJIYSA-N 0 3 318.420 4.536 10 10 DJCEHN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000019999814 333296224 /nfs/dbraw/zinc/29/62/24/333296224.db2.gz JSMYQIDJAAIXTQ-HNNXBMFYSA-N 0 3 300.471 4.589 10 10 DJCEHN Cc1ccc(O)c([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000185335482 337204209 /nfs/dbraw/zinc/20/42/09/337204209.db2.gz MEWWBUQAPAQBKA-KKSFZXQISA-N 0 3 318.420 4.536 10 10 DJCEHN Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)c(O)c1 ZINC000185335932 337204235 /nfs/dbraw/zinc/20/42/35/337204235.db2.gz ZBAZYCYQBMIXCB-IERDGZPVSA-N 0 3 318.420 4.536 10 10 DJCEHN Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)c(O)c1 ZINC000185335989 337204244 /nfs/dbraw/zinc/20/42/44/337204244.db2.gz ZBAZYCYQBMIXCB-HRAATJIYSA-N 0 3 318.420 4.536 10 10 DJCEHN Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)c(O)c1 ZINC000185335970 337204183 /nfs/dbraw/zinc/20/41/83/337204183.db2.gz ZBAZYCYQBMIXCB-IIBYNOLFSA-N 0 3 318.420 4.536 10 10 DJCEHN Cc1ccc(O)c([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000185335466 337204277 /nfs/dbraw/zinc/20/42/77/337204277.db2.gz MEWWBUQAPAQBKA-IERDGZPVSA-N 0 3 318.420 4.536 10 10 DJCEHN