smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1nc2n(n1)C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000160556344 484246032 /nfs/dbraw/zinc/24/60/32/484246032.db2.gz KLMCYISPUONZCR-CQSZACIVSA-N 2 0 367.498 -0.126 20 70 FBIDRP COCc1nc2n(n1)C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000160556455 484245870 /nfs/dbraw/zinc/24/58/70/484245870.db2.gz KLMCYISPUONZCR-AWEZNQCLSA-N 2 0 367.498 -0.126 20 70 FBIDRP C[NH2+][C@@H]1CCCN(C(=O)C[C@]2(C(=O)N3CCC[C@H]([NH2+]C)C3)CC[NH2+]C2)C1 ZINC000161159193 536357009 /nfs/dbraw/zinc/35/70/09/536357009.db2.gz QGSVKVDBYGFIGF-JTDSTZFVSA-N 3 0 365.522 -0.223 20 70 FBIDRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[C@H]([NH2+]C)C3)CC[NH2+]C2)C1 ZINC000161159394 536356638 /nfs/dbraw/zinc/35/66/38/536356638.db2.gz QGSVKVDBYGFIGF-GJYPPUQNSA-N 3 0 365.522 -0.223 20 70 FBIDRP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000161160322 484281875 /nfs/dbraw/zinc/28/18/75/484281875.db2.gz XARVAYOMEFDUGE-NTODXPRQSA-N 2 0 365.522 -0.226 20 70 FBIDRP C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000161160490 484282332 /nfs/dbraw/zinc/28/23/32/484282332.db2.gz XARVAYOMEFDUGE-GMKVZWAMSA-N 2 0 365.522 -0.226 20 70 FBIDRP