smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C/C=C/C[N+](C)(C)Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000003172712 557453019 /nfs/dbraw/zinc/45/30/19/557453019.db2.gz GCQUHEZLHDVZQH-MDZDMXLPSA-N 2 0 424.632 6.402 10 5 HKBERP C[N+](C)(Cc1ccccc1)c1ccc(-c2ccc([N+](C)(C)Cc3ccccc3)cc2)cc1 ZINC000005764719 717101892 /nfs/dbraw/zinc/10/18/92/717101892.db2.gz YKOGERWRKDAJSA-UHFFFAOYSA-N 2 0 422.616 6.888 10 5 HKBERP C[N+](C)(C)CCC[n+]1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000031569740 717119841 /nfs/dbraw/zinc/11/98/41/717119841.db2.gz NVKSLHCHSLYZLQ-UHFFFAOYSA-N 2 0 424.592 5.213 10 5 HKBERP C[N+]1(CCCCCCCCC[N+]23CCC(CC2)[C@@H](Cc2ccccc2)C3)CCCC1 ZINC000031570340 717119773 /nfs/dbraw/zinc/11/97/73/717119773.db2.gz OSBBLBKECQVXNJ-JWAPEYQUSA-N 2 0 412.706 6.057 10 5 HKBERP C[N+]1(CCCCCCCCC[N+]23CCC(CC2)[C@H](Cc2ccccc2)C3)CCCC1 ZINC000031570344 717119807 /nfs/dbraw/zinc/11/98/07/717119807.db2.gz OSBBLBKECQVXNJ-JJMYMTGCSA-N 2 0 412.706 6.057 10 5 HKBERP C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)[N+](C)(C)C ZINC000118912751 717150126 /nfs/dbraw/zinc/15/01/26/717150126.db2.gz GZSAKRZKIDBCQL-QCYZZNICSA-N 2 0 404.727 5.815 10 5 HKBERP