smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNc1cc(OCCN(C)C)nc(OCC[NH3+])n1	ZINC000040395420	174252552	/nfs/dbraw/zinc/25/25/52/174252552.db2.gz	MEZMRDXFRRZJLG-UHFFFAOYSA-N	1	3	299.375	-0.187	1	0		CBAFHO
CN(C)CCN[C@@H]1C[NH2+]C[C@@H]1Cc1cccc(N)n1	ZINC000040413863	174255093	/nfs/dbraw/zinc/25/50/93/174255093.db2.gz	YIBXQACZBRNVKO-WCQYABFASA-N	1	3	263.389	-0.055	1	0		CBAFHO
COc1ccc(CO[C@@H]2[C@H](O)[C@H](O)[C@H](N)C[C@@H]2[NH3+])cc1	ZINC000040548274	174326233	/nfs/dbraw/zinc/32/62/33/174326233.db2.gz	ROAPEGAALYTRSX-ITGHMWBKSA-N	1	3	282.340	-0.640	1	0		CBAFHO
N[C@@H](CCCC[NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027899	574415171	/nfs/dbraw/zinc/41/51/71/574415171.db2.gz	ISWYJQKGNGBKJG-VHSXEESVSA-N	1	3	274.365	-0.859	1	0	endogenous,in-vitro	CBAFHO
[O-]c1cccnc1[C@H]1CC[NH2+]CCNCCC[NH2+]CCN1	ZINC000040640330	174364059	/nfs/dbraw/zinc/36/40/59/174364059.db2.gz	BRUJGZBLCHTIRF-CYBMUJFWSA-N	1	3	293.415	-0.020	1	0		CBAFHO
N[C@H](CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)[O-]	ZINC000100387470	574417979	/nfs/dbraw/zinc/41/79/79/574417979.db2.gz	WNQKNPFVCOQHFD-SECBINFHSA-N	1	3	274.365	-0.027	1	0	endogenous,in-vitro	CBAFHO
COc1ccc(CO[C@H]2[C@@H]([NH3+])C[C@@H](N)[C@@H](O)[C@@H]2O)cc1	ZINC000040548269	174326205	/nfs/dbraw/zinc/32/62/05/174326205.db2.gz	ROAPEGAALYTRSX-BJJPWKGXSA-N	1	3	282.340	-0.640	1	0		CBAFHO
N[C@H](CCCC[NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027994	574415276	/nfs/dbraw/zinc/41/52/76/574415276.db2.gz	ISWYJQKGNGBKJG-NXEZZACHSA-N	1	3	274.365	-0.859	1	0	endogenous,in-vitro	CBAFHO
N[C@@H](CCCC[NH3+])C(=O)NC(CCCC[NH3+])C(=O)[O-]	ZINC000100387475	571808155	/nfs/dbraw/zinc/80/81/55/571808155.db2.gz	WNQKNPFVCOQHFD-VIFPVBQESA-N	1	3	274.365	-0.027	1	0	endogenous,in-vitro	CBAFHO
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000096917183	185130238	/nfs/dbraw/zinc/13/02/38/185130238.db2.gz	JPUZVQADCCFSOS-QWRGUYRKSA-N	1	3	297.359	-0.934	1	0		CBAFHO
[O-]c1cccnc1[C@@H]1CC[NH2+]CCNCCC[NH2+]CCN1	ZINC000040640327	174363563	/nfs/dbraw/zinc/36/35/63/174363563.db2.gz	BRUJGZBLCHTIRF-ZDUSSCGKSA-N	1	3	293.415	-0.020	1	0		CBAFHO
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000096917185	185130352	/nfs/dbraw/zinc/13/03/52/185130352.db2.gz	JPUZVQADCCFSOS-WDEREUQCSA-N	1	3	297.359	-0.934	1	0		CBAFHO
N[C@@H](CCCC[NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000034893631	574414257	/nfs/dbraw/zinc/41/42/57/574414257.db2.gz	ISWYJQKGNGBKJG-UWVGGRQHSA-N	1	3	274.365	-0.859	1	0	endogenous,in-vitro	CBAFHO
N[C@H](CCCC[NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027991	574415254	/nfs/dbraw/zinc/41/52/54/574415254.db2.gz	ISWYJQKGNGBKJG-ZJUUUORDSA-N	1	3	274.365	-0.859	1	0	endogenous,in-vitro	CBAFHO
COc1ccc(CO[C@H]2[C@H]([NH3+])C[C@@H](N)[C@@H](O)[C@H]2O)cc1	ZINC000040548272	174326045	/nfs/dbraw/zinc/32/60/45/174326045.db2.gz	ROAPEGAALYTRSX-KSTCHIGDSA-N	1	3	282.340	-0.640	1	0		CBAFHO
COc1ccc(CO[C@H]2[C@H]([NH3+])C[C@@H](N)[C@@H](O)[C@@H]2O)cc1	ZINC000040548266	174326257	/nfs/dbraw/zinc/32/62/57/174326257.db2.gz	ROAPEGAALYTRSX-POQQGIQPSA-N	1	3	282.340	-0.640	1	0		CBAFHO