smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000005222258	557077263	/nfs/dbraw/zinc/07/72/63/557077263.db2.gz	STHKNNLRWCJMPL-XOQDQSMPSA-N	1	2	444.452	-1.175	40	30		IAEBLO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000005222266	557077450	/nfs/dbraw/zinc/07/74/50/557077450.db2.gz	STHKNNLRWCJMPL-MJGFRHPXSA-N	1	2	444.452	-1.175	40	30		IAEBLO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000005222285	522135879	/nfs/dbraw/zinc/13/58/79/522135879.db2.gz	STHKNNLRWCJMPL-VAUKQWBMSA-N	1	2	444.452	-1.175	40	30		IAEBLO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000013425182	522136061	/nfs/dbraw/zinc/13/60/61/522136061.db2.gz	STHKNNLRWCJMPL-NULATQSGSA-N	1	2	444.452	-1.175	40	30		IAEBLO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000033764918	557810661	/nfs/dbraw/zinc/81/06/61/557810661.db2.gz	STHKNNLRWCJMPL-PAASXJKLSA-N	1	2	444.452	-1.175	40	30		IAEBLO
CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000033764919	522136800	/nfs/dbraw/zinc/13/68/00/522136800.db2.gz	STHKNNLRWCJMPL-XUNCZMBYSA-N	1	2	444.452	-1.175	40	30		IAEBLO