smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)C[NH3+])C(=O)Nc1ccccc1	ZINC000004899753	204175081	/nfs/dbraw/zinc/17/50/81/204175081.db2.gz	UHCNIPHINRNOFE-LBPRGKRZSA-N	2	0	363.422	-1.552	10	0		FAAERP
[NH3+]CCCC(=O)NCCN(CCNC(=O)CCC[NH3+])C(=O)CCC[NH3+]	ZINC000026723311	482625309	/nfs/dbraw/zinc/62/53/09/482625309.db2.gz	XSMMJDCBJQEMJJ-UHFFFAOYSA-N	3	0	358.487	-1.736	10	0		FAAERP
NC(=O)CC[NH+]1CCCN2CCN(CCC[N@@H+](CCC(N)=O)CC2)CC1	ZINC000027552669	482633965	/nfs/dbraw/zinc/63/39/65/482633965.db2.gz	BEBMMPLEUZRJRH-UHFFFAOYSA-N	2	0	368.526	-1.247	10	0		FAAERP
[NH3+]CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CO)C(=O)[O-]	ZINC000039833728	208366580	/nfs/dbraw/zinc/36/65/80/208366580.db2.gz	CRJZZXMAADSBBQ-SRVKXCTJSA-N	2	0	361.443	-2.382	10	0		FAAERP
[NH3+]CCC[C@@H](NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)[O-]	ZINC000247750693	210214280	/nfs/dbraw/zinc/21/42/80/210214280.db2.gz	SHMVFFURFKJDHA-QJPTWQEYSA-N	3	0	360.459	-2.415	10	0		FAAERP
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000584605065	483283631	/nfs/dbraw/zinc/28/36/31/483283631.db2.gz	YYUFRFQOCUREOT-ZPFDUUQYSA-N	2	0	372.470	-2.181	10	0		FAAERP