smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H](CNC(=O)C(F)(F)F)O1	ZINC000017107342	210236947	/nfs/dbraw/zinc/23/69/47/210236947.db2.gz	VPTWVVAMILJEOL-BNHYGAARSA-N	-1	2	368.230	-0.166	10	0		FBAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@H]1O	ZINC000025762086	483891944	/nfs/dbraw/zinc/89/19/44/483891944.db2.gz	CACCSKNYAUKFAV-IWSPIJDZSA-N	-1	2	355.247	-0.163	10	0	in-vitro	FBAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@H]1O	ZINC000025762086	483891941	/nfs/dbraw/zinc/89/19/41/483891941.db2.gz	CACCSKNYAUKFAV-IWSPIJDZSA-N	-1	2	355.247	-0.163	10	0	in-vitro	FBAELM
Nc1ncnc2c1nc1n2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2S1	ZINC000033796992	208100246	/nfs/dbraw/zinc/10/02/46/208100246.db2.gz	XESACSXKPBAYJE-GFRUICAKSA-N	-1	2	361.276	-0.750	10	0		FBAELM
Nc1ncnc2c1nc1n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2S1	ZINC000033796992	208100242	/nfs/dbraw/zinc/10/02/42/208100242.db2.gz	XESACSXKPBAYJE-GFRUICAKSA-N	-1	2	361.276	-0.750	10	0		FBAELM
Nc1ncnc2c1nc1n2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2S1	ZINC000033796993	208101172	/nfs/dbraw/zinc/10/11/72/208101172.db2.gz	XESACSXKPBAYJE-FTWQFJAYSA-N	-1	2	361.276	-0.750	10	0		FBAELM
Nc1ncnc2c1nc1n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2S1	ZINC000033796993	208101167	/nfs/dbraw/zinc/10/11/67/208101167.db2.gz	XESACSXKPBAYJE-FTWQFJAYSA-N	-1	2	361.276	-0.750	10	0		FBAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2nc[nH]c3=S)[C@@H](O)[C@H]1O	ZINC000077319466	483744843	/nfs/dbraw/zinc/74/48/43/483744843.db2.gz	ZKRFOXLVOKTUTA-DEGSGYPDSA-N	-1	2	364.276	-0.783	10	0	in-vitro	FBAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2nc[nH]c3=S)[C@@H](O)[C@H]1O	ZINC000077319466	483744840	/nfs/dbraw/zinc/74/48/40/483744840.db2.gz	ZKRFOXLVOKTUTA-DEGSGYPDSA-N	-1	2	364.276	-0.783	10	0	in-vitro	FBAELM
O=c1[nH]c(=S)[nH]c([O-])c1S(=O)(=O)c1ccc(O)c2ncccc21	ZINC000584653604	484620755	/nfs/dbraw/zinc/62/07/55/484620755.db2.gz	ZLSLCSURYLYFSL-UHFFFAOYSA-N	-1	2	351.365	-0.386	10	0		FBAELM