smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c[n-]c2oc(C=NN3C[C@H](CN4CCOCC4)OC3=O)cc2c1=O	ZINC000005013179	557625399	/nfs/dbraw/zinc/62/53/99/557625399.db2.gz	KJBJCWYPEPHOKQ-RSZRJMOXSA-N	-1	3	418.406	0.785	40	30		HCEBHM
C#CCNC(=O)C[C@@H]1O[C@H](CNCc2ccc(C(=O)[O-])cc2)[C@H]2OC(C)(C)O[C@H]21	ZINC000015675320	560095803	/nfs/dbraw/zinc/09/58/03/560095803.db2.gz	BKZSINSBTBPMPV-OGWHTMIXSA-N	-1	3	402.447	0.901	40	30	biogenic,in-vitro	HCEBHM
COc1nc(N=NCc2ccc([O-])c(OC)c2[N+](=O)[O-])nc(N2CCOCC2)n1	ZINC000016194650	558777844	/nfs/dbraw/zinc/77/78/44/558777844.db2.gz	ZPUXCHIDLXPUPD-RQZCQDPDSA-N	-1	3	405.371	0.785	40	30		HCEBHM
CC(C)(C)NNC(C(=O)Nc1n[nH]c(=S)[n-]1)=C1C(=O)Nc2ccccc2[S@@]1=O	ZINC000017211601	558825894	/nfs/dbraw/zinc/82/58/94/558825894.db2.gz	OXMMNWQZXAMBFO-AFOOWTLLSA-N	-1	3	421.508	0.905	40	30		HCEBHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)OCCN3C(=O)c4ccccc4C3=O)ccc21	ZINC000226860353	568824827	/nfs/dbraw/zinc/82/48/27/568824827.db2.gz	PINDHUGJCNRCKL-UHFFFAOYSA-N	-1	3	400.368	0.572	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)N(c2cccc([O-])c2)[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575422022	569026028	/nfs/dbraw/zinc/02/60/28/569026028.db2.gz	KLEDHQQIFBGRFW-DLBZAZTESA-N	-1	3	408.457	0.617	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)N(c2cccc([O-])c2)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575422028	569026057	/nfs/dbraw/zinc/02/60/57/569026057.db2.gz	KLEDHQQIFBGRFW-IAGOWNOFSA-N	-1	3	408.457	0.617	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)N(c2cccc([O-])c2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575422029	569026059	/nfs/dbraw/zinc/02/60/59/569026059.db2.gz	KLEDHQQIFBGRFW-IRXDYDNUSA-N	-1	3	408.457	0.617	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)N(c2cccc([O-])c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575422031	569026065	/nfs/dbraw/zinc/02/60/65/569026065.db2.gz	KLEDHQQIFBGRFW-SJORKVTESA-N	-1	3	408.457	0.617	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)c1	ZINC000575422038	569026062	/nfs/dbraw/zinc/02/60/62/569026062.db2.gz	KOSOSMPPLPXYGH-DLBZAZTESA-N	-1	3	407.473	0.929	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)c1	ZINC000575422039	569026092	/nfs/dbraw/zinc/02/60/92/569026092.db2.gz	KOSOSMPPLPXYGH-IAGOWNOFSA-N	-1	3	407.473	0.929	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)c1	ZINC000575422040	569026083	/nfs/dbraw/zinc/02/60/83/569026083.db2.gz	KOSOSMPPLPXYGH-IRXDYDNUSA-N	-1	3	407.473	0.929	40	30		HCEBHM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)c1	ZINC000575422041	569026025	/nfs/dbraw/zinc/02/60/25/569026025.db2.gz	KOSOSMPPLPXYGH-SJORKVTESA-N	-1	3	407.473	0.929	40	30		HCEBHM
O=C(/C=C/c1ccc(O)cc1[O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000584578878	569048668	/nfs/dbraw/zinc/04/86/68/569048668.db2.gz	FHHWZXPPMLAZCK-ZWWHPAGKSA-N	-1	3	418.398	0.173	40	30		HCEBHM