smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CC[N@@H+](C)Cc1ccccc1O	69801185	572140781	/nfs/dbraw/zinc/14/07/81/572140781.db2.gz	ZUMKDMXXCFAFBH-UHFFFAOYSA-N	0	2	194.278	1.043	20	10		ADCDLN
C[C@H]([NH2+]CC[NH3+])c1ccccc1O	37712366	572179822	/nfs/dbraw/zinc/17/98/22/572179822.db2.gz	KEDOKCHXSIAHSP-QMMMGPOBSA-N	0	2	180.251	1.002	20	10		ADCDLN
O=CC1C(=O)Nc2ccccc21	100094503	169390127	/nfs/dbraw/zinc/39/01/27/169390127.db2.gz	ZRKPUQFDPAIVPD-ALCCZGGFSA-N	0	2	161.160	1.538	20	10	in-vitro	ADCDLN
O=Cc1sccc1O	39294106	351501082	/nfs/dbraw/zinc/50/10/82/351501082.db2.gz	GQBCZPRINVZQJQ-UHFFFAOYSA-N	0	2	128.152	1.266	20	10	in-vitro	ADCDLN