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(C)C(=O)N[N+](C)(C)C[C@H](O)CCCCCCCCCCCC ZINC000095777424 717140235 /nfs/dbraw/zinc/14/02/35/717140235.db2.gz HQJIDJCCPDGJCZ-LJQANCHMSA-O 1 0 341.560 4.342 40 50 EIGBRO C=C(C)C(=O)N[N+](C)(C)C[C@@H](O)CCCCCCCCCCCC ZINC000095777423 717140244 /nfs/dbraw/zinc/14/02/44/717140244.db2.gz HQJIDJCCPDGJCZ-IBGZPJMESA-O 1 0 341.560 4.342 40 50 EIGBRO C/C=C1\C[N+]2(CCCC)CC[C@@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000016956738 717112440 /nfs/dbraw/zinc/11/24/40/717112440.db2.gz LQDGJFHWZHMWLV-AMEIQMLBSA-O 1 0 349.498 4.172 40 50 EIGBRO C/C=C1\C[N+]2(CCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000002139864 717094658 /nfs/dbraw/zinc/09/46/58/717094658.db2.gz LQDGJFHWZHMWLV-ADWIIVPDSA-O 1 0 349.498 4.172 40 50 EIGBRO C/C=C1/C[N@@+]2(CCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000252461255 717165510 /nfs/dbraw/zinc/16/55/10/717165510.db2.gz LQDGJFHWZHMWLV-ORDZBERZSA-O 1 0 349.498 4.172 40 50 EIGBRO C/C=C1/C[N+]2(CCCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000012660428 717107160 /nfs/dbraw/zinc/10/71/60/717107160.db2.gz LQDGJFHWZHMWLV-GTWZURTLSA-O 1 0 349.498 4.172 40 50 EIGBRO C[N+](CCCl)(CCCl)Cc1cccc2cccc([N+](=O)[O-])c21 ZINC000001639109 717088596 /nfs/dbraw/zinc/08/85/96/717088596.db2.gz VNXCXXXBZQXERY-UHFFFAOYSA-N 1 0 342.246 4.172 40 50 EIGBRO C/C=C1/C[N+]2(CCCC)CC[C@@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000005585044 717100389 /nfs/dbraw/zinc/10/03/89/717100389.db2.gz LQDGJFHWZHMWLV-XNQRKRPBSA-O 1 0 349.498 4.172 40 50 EIGBRO CCCCCCCCCC[N+](C)(C)CCOCCOCCCl ZINC000100925829 717144147 /nfs/dbraw/zinc/14/41/47/717144147.db2.gz RJDWAMQPVSHHCD-UHFFFAOYSA-N 1 0 336.968 4.476 40 50 EIGBRO