smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000217601757 241263242 /nfs/dbraw/zinc/26/32/42/241263242.db2.gz IUBIYEKKMOFFHB-FQEVSTJZSA-N 2 0 341.499 2.983 50 70 EFIARP O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000217601674 241262681 /nfs/dbraw/zinc/26/26/81/241262681.db2.gz IUBIYEKKMOFFHB-HXUWFJFHSA-N 2 0 341.499 2.983 50 70 EFIARP O[C@H]1C[C@H]([C@@H](Cc2ccccn2)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000218048091 241294554 /nfs/dbraw/zinc/29/45/54/241294554.db2.gz HJKRPLDPXYMNID-LSTHTHJFSA-N 2 0 343.515 2.666 50 70 EFIARP Cc1ccc(O[C@H]2COCC[C@H]2[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000218385218 241320033 /nfs/dbraw/zinc/32/00/33/241320033.db2.gz MSLYKHZMDINKMI-MSOLQXFVSA-N 2 0 347.503 2.825 50 70 EFIARP O[C@H]1C[C@H]([C@H](Cc2ccccn2)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000218048169 304842612 /nfs/dbraw/zinc/84/26/12/304842612.db2.gz HJKRPLDPXYMNID-DBVUQKKJSA-N 2 0 343.515 2.666 50 70 EFIARP