smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4ncnc5N)[C@H](O)[C@@H]3O)c2cc1C	ZINC000008215434	574412770	/nfs/dbraw/zinc/41/27/70/574412770.db2.gz	VWWQXMAJTJZDQX-UYBVJOGSSA-N	-3	0	785.557	-2.424	50	5	endogenous,world	KABARL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000150340995	571458034	/nfs/dbraw/zinc/45/80/34/571458034.db2.gz	GGXRLUDNGFFUKI-ORGXJRBJSA-N	-3	0	638.587	-1.037	50	5		KABARL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@H](O)[C@@H]3O)c2cc1C	ZINC000225153224	562880787	/nfs/dbraw/zinc/88/07/87/562880787.db2.gz	VWWQXMAJTJZDQX-LLVVEODBSA-N	-3	0	785.557	-2.424	50	5		KABARL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@H](O)[C@H]3O)c2cc1C	ZINC000253537608	572300194	/nfs/dbraw/zinc/30/01/94/572300194.db2.gz	VWWQXMAJTJZDQX-GIHYUBPTSA-N	-3	0	785.557	-2.012	50	5		KABARL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@@H]3O)c2cc1C	ZINC000253537609	572300182	/nfs/dbraw/zinc/30/01/82/572300182.db2.gz	VWWQXMAJTJZDQX-HLUKVIMBSA-N	-3	0	785.557	-2.012	50	5		KABARL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@H]3O)c2cc1C	ZINC000253537610	572300189	/nfs/dbraw/zinc/30/01/89/572300189.db2.gz	VWWQXMAJTJZDQX-XIBAMUJRSA-N	-3	0	785.557	-2.012	50	5		KABARL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@H](n4cnc5c4ncnc5N)[C@H](O)[C@@H]3O)c2cc1C	ZINC000585176333	1066212925	/nfs/dbraw/zinc/21/29/25/1066212925.db2.gz	VWWQXMAJTJZDQX-GBMUZDNLSA-N	-3	0	785.557	-2.012	50	5		KABARL