smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=[NH+]\c1ccccc1)N(CC[NH+](C)C)Cc1ccccc1 ZINC000004783208 170016195 /nfs/dbraw/zinc/01/61/95/170016195.db2.gz ODXRQPYPMUXRRH-LVZFUZTISA-N 2 0 295.430 3.800 40 30 CHEBRP CCCCCCCCCCCCSC(=[NH2+])NC(N)=[NH2+] ZINC000100922377 567936987 /nfs/dbraw/zinc/93/69/87/567936987.db2.gz LAOJWJVMAWTRBT-UHFFFAOYSA-N 2 0 286.489 3.849 40 30 CHEBRP CN(/C=[NH+]/c1ccccc1)CCN(C)/C=[NH+]/c1ccccc1 ZINC000255190040 328119202 /nfs/dbraw/zinc/11/92/02/328119202.db2.gz UNZSMPMSHLQFJB-MXWIWYRXSA-N 2 0 294.402 3.570 40 30 CHEBRP CCCCCCCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000100413831 566877506 /nfs/dbraw/zinc/87/75/06/566877506.db2.gz NGOGDZCYLSHPIB-UHFFFAOYSA-N 2 0 254.462 3.813 40 30 CHEBRP C/C(=[NH+]/c1ccccc1)N(CC[NH+](C)C)Cc1ccccc1 ZINC000017300282 567875549 /nfs/dbraw/zinc/87/55/49/567875549.db2.gz ODXRQPYPMUXRRH-JZJYNLBNSA-N 2 0 295.430 3.800 40 30 CHEBRP c1cc(C[S+]2CCCC2)ccc1C[S+]1CCCC1 ZINC000005018808 170056774 /nfs/dbraw/zinc/05/67/74/170056774.db2.gz WMQVVIMZECUMEN-UHFFFAOYSA-N 2 0 280.502 3.511 40 30 CHEBRP