smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCc1c(C)[nH+]c2c(C)cccc2c1Nc1ccccc1C ZINC000217443676 535140882 /nfs/dbraw/zinc/14/08/82/535140882.db2.gz AVCKZGHAPAFYJX-UHFFFAOYSA-N 1 0 332.491 6.636 40 70 EKIBRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2)cc1NCc1ccccc1 ZINC000218319937 564159701 /nfs/dbraw/zinc/15/97/01/564159701.db2.gz RPZWDHLKDCNXRX-HXUWFJFHSA-N 1 0 344.502 5.800 40 70 EKIBRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccccc2)cc1NCc1ccccc1 ZINC000218320001 564159666 /nfs/dbraw/zinc/15/96/66/564159666.db2.gz RPZWDHLKDCNXRX-FQEVSTJZSA-N 1 0 344.502 5.800 40 70 EKIBRO CCCCNc1cc([C@@H](C)[N@H+](CCC)Cc2ccccc2)ccc1C ZINC000218322323 564159742 /nfs/dbraw/zinc/15/97/42/564159742.db2.gz CFQCGOJGOXTFIF-HXUWFJFHSA-N 1 0 338.539 6.180 40 70 EKIBRO CCCCNc1cc([C@H](C)[N@H+](CCC)Cc2ccccc2)ccc1C ZINC000218322390 564159738 /nfs/dbraw/zinc/15/97/38/564159738.db2.gz CFQCGOJGOXTFIF-FQEVSTJZSA-N 1 0 338.539 6.180 40 70 EKIBRO CCCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1 ZINC000218323303 564057955 /nfs/dbraw/zinc/05/79/55/564057955.db2.gz QQIUMGFFDYJADI-FQEVSTJZSA-N 1 0 338.539 6.179 40 70 EKIBRO CCCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1 ZINC000218323392 564057969 /nfs/dbraw/zinc/05/79/69/564057969.db2.gz QQIUMGFFDYJADI-HXUWFJFHSA-N 1 0 338.539 6.179 40 70 EKIBRO CCCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCCC)c1 ZINC000218323504 564057964 /nfs/dbraw/zinc/05/79/64/564057964.db2.gz NHCNPBZDZYNWKF-FQEVSTJZSA-N 1 0 338.539 6.180 40 70 EKIBRO CCCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCCC)c1 ZINC000218323585 564058017 /nfs/dbraw/zinc/05/80/17/564058017.db2.gz NHCNPBZDZYNWKF-HXUWFJFHSA-N 1 0 338.539 6.180 40 70 EKIBRO