smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(CCc1ccccc1)C2 ZINC000218048542 241293887 /nfs/dbraw/zinc/29/38/87/241293887.db2.gz FALAMRXLFDEKFT-LJQANCHMSA-N 1 3 328.460 1.927 50 70 EDIAHO CN(C)Cc1ccc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)cc1 ZINC000218105152 536011775 /nfs/dbraw/zinc/01/17/75/536011775.db2.gz SIYJSLNKPVEZHD-UHFFFAOYSA-N 1 3 326.448 1.937 50 70 EDIAHO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(CCc1ccccc1)C2 ZINC000218048625 535957170 /nfs/dbraw/zinc/95/71/70/535957170.db2.gz FALAMRXLFDEKFT-IBGZPJMESA-N 1 3 328.460 1.927 50 70 EDIAHO O[C@H]1CN(Cc2cccc3ncccc23)CCN(C2CC[NH2+]CC2)C1 ZINC000217872976 241281739 /nfs/dbraw/zinc/28/17/39/241281739.db2.gz OVTHREGCCXRXJB-SFHVURJKSA-N 1 3 340.471 1.465 50 70 EDIAHO