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]([NH3+])C[NH2+][C@H](C(=O)[O-])[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000026721680	202147900	/nfs/dbraw/zinc/14/79/00/202147900.db2.gz	IBIDEMAXBPPVTO-OHBOGGSBSA-N	1	2	344.324	-3.454	1	0		EAAFLO
CNc1[nH+]cnc2c1c(C(N)=O)cn2[C@@H]1S[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000027097491	202151194	/nfs/dbraw/zinc/15/11/94/202151194.db2.gz	UXPIFUHEXLDIGC-VPFIQFBESA-N	1	2	339.377	-1.100	1	0		EAAFLO
CNc1[nH+]cnc2c1c(C(N)=O)cn2[C@H]1S[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000027097499	202151467	/nfs/dbraw/zinc/15/14/67/202151467.db2.gz	UXPIFUHEXLDIGC-DUWABBFASA-N	1	2	339.377	-1.100	1	0		EAAFLO
CNc1[nH+]cnc2c1c(C(N)=O)cn2[C@H]1S[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000027097515	202151246	/nfs/dbraw/zinc/15/12/46/202151246.db2.gz	UXPIFUHEXLDIGC-WRNXMPKJSA-N	1	2	339.377	-1.100	1	0		EAAFLO
C[NH+]1CCN(CCC(=O)Nc2nnc(S(N)(=O)=O)s2)CC1	ZINC000028357878	202170151	/nfs/dbraw/zinc/17/01/51/202170151.db2.gz	YIITVSJYXKOOBS-UHFFFAOYSA-N	1	2	334.427	-1.239	1	0		EAAFLO
Nc1nc(N)c2cc(S(=O)(=O)N(CCO)CCO)ccc2[nH+]1	ZINC000029462012	202187124	/nfs/dbraw/zinc/18/71/24/202187124.db2.gz	ZPAQAMKXFJMZOY-UHFFFAOYSA-N	1	2	327.366	-1.231	1	0		EAAFLO
Cn1c(N)c2[nH+]c(NN)n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O	ZINC000101981922	219178138	/nfs/dbraw/zinc/17/81/38/219178138.db2.gz	TZCBTOCSTDUODV-BDXYJKHTSA-N	1	2	327.301	-3.560	1	0		EAAFLO
Cn1c(N)c2[nH+]c(NN)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O	ZINC000101981926	219177950	/nfs/dbraw/zinc/17/79/50/219177950.db2.gz	TZCBTOCSTDUODV-UUOKFMHZSA-N	1	2	327.301	-3.560	1	0		EAAFLO