smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000002597018	482530893	/nfs/dbraw/zinc/53/08/93/482530893.db2.gz	CYCGARJWIQWPQM-YJRXYDGGSA-N	-1	1	369.374	-2.311	10	0		FAAEMM
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC000013520742	210233206	/nfs/dbraw/zinc/23/32/06/210233206.db2.gz	TYBXVGQUDSSCMC-JQWIXIFHSA-N	-1	1	350.375	-1.622	10	0		FAAEMM
Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@H]([NH3+])[C@H]2SC1	ZINC000016027482	210234478	/nfs/dbraw/zinc/23/44/78/210234478.db2.gz	YTUNICCSPPTMJY-XUOSJQGZSA-N	-1	1	371.400	-1.446	10	0		FAAEMM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@H]([NH3+])[C@H]2SC1	ZINC000016027482	210234476	/nfs/dbraw/zinc/23/44/76/210234476.db2.gz	YTUNICCSPPTMJY-XUOSJQGZSA-N	-1	1	371.400	-1.446	10	0		FAAEMM
CC(C)C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)[O-]	ZINC000027767142	210242868	/nfs/dbraw/zinc/24/28/68/210242868.db2.gz	UGXVKHRDGLYFKR-CIUDSAMLSA-N	-1	1	360.367	-2.236	10	0		FAAEMM
Nc1nc2c(c(=O)[nH]1)N[C@@H]1[C@H](N2)O[C@@H]2CO[P@@](=O)([O-])O[C@@H]2C1(O)O	ZINC000034962340	483695074	/nfs/dbraw/zinc/69/50/74/483695074.db2.gz	CZAKJJUNKNPTTO-AJFJRRQVSA-N	-1	1	363.223	-2.520	10	0	investigational	FAAEMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000039798595	482903830	/nfs/dbraw/zinc/90/38/30/482903830.db2.gz	AUFHLLPVPSMEOG-YUMQZZPRSA-N	-1	1	360.371	-2.873	10	0		FAAEMM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000039832444	483691462	/nfs/dbraw/zinc/69/14/62/483691462.db2.gz	WQOHKVRQDLNDIL-YJRXYDGGSA-N	-1	1	369.374	-2.311	10	0		FAAEMM
[NH3+][C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000039833657	483691425	/nfs/dbraw/zinc/69/14/25/483691425.db2.gz	HMRAQFJFTOLDKW-GUBZILKMSA-N	-1	1	371.350	-2.809	10	0		FAAEMM
CC(C)C(=O)Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]1	ZINC000043771715	482718523	/nfs/dbraw/zinc/71/85/23/482718523.db2.gz	YQKASTFTNVIUHM-XLPZGREQSA-N	-1	1	353.335	-1.352	10	0		FAAEMM
CC(C)C(=O)Nc1nc2c([n-]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1	ZINC000043771715	482718517	/nfs/dbraw/zinc/71/85/17/482718517.db2.gz	YQKASTFTNVIUHM-XLPZGREQSA-N	-1	1	353.335	-1.352	10	0		FAAEMM
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1[O-]	ZINC000096321381	205873260	/nfs/dbraw/zinc/87/32/60/205873260.db2.gz	CRSFLLTWRCYNNX-PUKDQBJRSA-N	-1	1	370.310	-1.314	10	0		FAAEMM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000262456646	483309833	/nfs/dbraw/zinc/30/98/33/483309833.db2.gz	HVTWVGQECXGTKN-UHFFFAOYSA-N	-1	1	374.419	-1.700	10	0		FAAEMM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000262456646	483309828	/nfs/dbraw/zinc/30/98/28/483309828.db2.gz	HVTWVGQECXGTKN-UHFFFAOYSA-N	-1	1	374.419	-1.700	10	0		FAAEMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCn3ccnc3C2)c(=O)n(C)c1=O	ZINC000328634833	483713546	/nfs/dbraw/zinc/71/35/46/483713546.db2.gz	UHGDLJFVOQVTJN-JTQLQIEISA-N	-1	1	353.404	-1.179	10	0		FAAEMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCn3ccnc3C2)c(=O)n(C)c1=O	ZINC000328634834	482961050	/nfs/dbraw/zinc/96/10/50/482961050.db2.gz	UHGDLJFVOQVTJN-SNVBAGLBSA-N	-1	1	353.404	-1.179	10	0		FAAEMM