smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCO[C@@H]3CCN(c4ncccc4NC(=O)CCl)CC[C@H]32)cs1 ZINC001164987033 722184935 /nfs/dbraw/zinc/18/49/35/722184935.db2.gz IQAWYNNLGRCBJI-QZTJIDSGSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncccc4NC(=O)CCl)CC[C@H]32)cs1 ZINC001164987032 722184957 /nfs/dbraw/zinc/18/49/57/722184957.db2.gz IQAWYNNLGRCBJI-MSOLQXFVSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(NC(=O)CCl)cn4)CC[C@H]32)cs1 ZINC001164990836 722186134 /nfs/dbraw/zinc/18/61/34/722186134.db2.gz SAJPIGQTMVAZKW-MSOLQXFVSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(NC(=O)CCl)cn4)CC[C@H]32)cs1 ZINC001164990838 722186168 /nfs/dbraw/zinc/18/61/68/722186168.db2.gz SAJPIGQTMVAZKW-QZTJIDSGSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncccc3NC(=O)CCl)C2)C1 ZINC001164780738 721364401 /nfs/dbraw/zinc/36/44/01/721364401.db2.gz GXSKZVXTWLEZMG-QFIPXVFZSA-N 0 0 447.967 2.983 20 50 IFGDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncccc3NC(=O)CCl)C2)C1 ZINC001164780731 721364643 /nfs/dbraw/zinc/36/46/43/721364643.db2.gz GXSKZVXTWLEZMG-JOCHJYFZSA-N 0 0 447.967 2.983 20 50 IFGDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncccc4NC(=O)CCl)CC[C@@H]32)cs1 ZINC001164987034 722184923 /nfs/dbraw/zinc/18/49/23/722184923.db2.gz IQAWYNNLGRCBJI-ROUUACIJSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncccc4NC(=O)CCl)CC[C@@H]32)cs1 ZINC001164987035 722184982 /nfs/dbraw/zinc/18/49/82/722184982.db2.gz IQAWYNNLGRCBJI-ZWKOTPCHSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(NC(=O)CCl)cn4)CC[C@@H]32)cs1 ZINC001164990840 722186106 /nfs/dbraw/zinc/18/61/06/722186106.db2.gz SAJPIGQTMVAZKW-ROUUACIJSA-N 0 0 435.981 2.894 20 50 IFGDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(NC(=O)CCl)cn4)CC[C@@H]32)cs1 ZINC001164990843 722186127 /nfs/dbraw/zinc/18/61/27/722186127.db2.gz SAJPIGQTMVAZKW-ZWKOTPCHSA-N 0 0 435.981 2.894 20 50 IFGDRN