smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(O)c(C(c2nc3ccccc3[nH]2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	ZINC000009354965	569525171	/nfs/dbraw/zinc/52/51/71/569525171.db2.gz	PACPFIUHSUMMIX-UHFFFAOYSA-N	0	2	440.416	-1.051	50	0		IAAALN
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012649667	519756734	/nfs/dbraw/zinc/75/67/34/519756734.db2.gz	ZHPKDRPRZNXDRZ-YMILTQATSA-N	0	2	443.365	-1.813	50	0	biogenic	IAAALN
CC/N=c1\nc(NCC)[nH+]c2[n-]nc(SCC(=O)Nc3cc(=O)n(C)c(=O)n3C)n21	ZINC000016689854	556627333	/nfs/dbraw/zinc/62/73/33/556627333.db2.gz	VHJFEIFUNSMKBQ-UHFFFAOYSA-N	0	2	434.486	-1.067	50	0		IAAALN
COc1c2c(cc3c1CC1(C(=O)NC(=O)NC1=O)[C@@H](c1c(O)[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000020410917	569363998	/nfs/dbraw/zinc/36/39/98/569363998.db2.gz	SWDGHHQSMVVZQD-MRVPVSSYSA-N	0	2	444.356	-1.259	50	0		IAAALN
COc1c2c(cc3c1CC1(C(=O)NC(=O)NC1=O)[C@H](c1c(O)[nH]c(=O)[nH]c1=O)C3)OCO2	ZINC000020410920	569363934	/nfs/dbraw/zinc/36/39/34/569363934.db2.gz	SWDGHHQSMVVZQD-QMMMGPOBSA-N	0	2	444.356	-1.259	50	0		IAAALN