smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2)cc1NC(C)C ZINC000218319361 566845342 /nfs/dbraw/zinc/84/53/42/566845342.db2.gz DRCKSXGJLQYKNR-QGZVFWFLSA-N 1 1 296.458 5.008 40 70 CKIBMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2)cc1NC(C)C ZINC000218319443 265324885 /nfs/dbraw/zinc/32/48/85/265324885.db2.gz DRCKSXGJLQYKNR-KRWDZBQOSA-N 1 1 296.458 5.008 40 70 CKIBMO CCCNc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C ZINC000218319541 265326841 /nfs/dbraw/zinc/32/68/41/265326841.db2.gz XADYFRQWMUHQAQ-QGZVFWFLSA-N 1 1 296.458 5.010 40 70 CKIBMO CCCNc1cc([C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C ZINC000218319639 265327905 /nfs/dbraw/zinc/32/79/05/265327905.db2.gz XADYFRQWMUHQAQ-KRWDZBQOSA-N 1 1 296.458 5.010 40 70 CKIBMO CCNc1cc([C@@H](C)[N@@H+](CC)Cc2ccccc2)ccc1C ZINC000218320445 567182642 /nfs/dbraw/zinc/18/26/42/567182642.db2.gz PCTKOQVYSXFABG-QGZVFWFLSA-N 1 1 296.458 5.010 40 70 CKIBMO CCNc1cc([C@H](C)[N@@H+](CC)Cc2ccccc2)ccc1C ZINC000218320551 567182812 /nfs/dbraw/zinc/18/28/12/567182812.db2.gz PCTKOQVYSXFABG-KRWDZBQOSA-N 1 1 296.458 5.010 40 70 CKIBMO CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1 ZINC000218321555 566845128 /nfs/dbraw/zinc/84/51/28/566845128.db2.gz WNVGSQTUIJWVAA-KRWDZBQOSA-N 1 1 296.458 5.010 40 70 CKIBMO CCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC)c1 ZINC000218321672 566845362 /nfs/dbraw/zinc/84/53/62/566845362.db2.gz WNVGSQTUIJWVAA-QGZVFWFLSA-N 1 1 296.458 5.010 40 70 CKIBMO