smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1ccc([C@H]2c3ccccc3NC(=NCCCC[NH3+])C2(C)C)cc1 ZINC000013678617 211049578 /nfs/dbraw/zinc/04/95/78/211049578.db2.gz DTQCHPMLUUYVOI-FQEVSTJZSA-N 1 3 350.510 4.449 1 30 FIEFHO CCCCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccc(C)cc2)N1 ZINC000049867742 221028092 /nfs/dbraw/zinc/02/80/92/221028092.db2.gz NVPRNAUOZDUTGA-UHFFFAOYSA-N 1 3 371.573 4.476 1 30 FIEFHO CCCCCCCCNC1=NC(C)(C)[NH+]=C(NCc2ccc(C)cc2)N1 ZINC000019332455 220251872 /nfs/dbraw/zinc/25/18/72/220251872.db2.gz FDBPFNJGHVWGRJ-UHFFFAOYSA-N 1 3 357.546 4.086 1 30 FIEFHO CNc1ccc([C@@H]2c3ccccc3NC(=NCCCC[NH3+])C2(C)C)cc1 ZINC000013678616 220084677 /nfs/dbraw/zinc/08/46/77/220084677.db2.gz DTQCHPMLUUYVOI-HXUWFJFHSA-N 1 3 350.510 4.449 1 30 FIEFHO