smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc([O-])c(C[N+](C)(C)C)c2)ccc1O	ZINC000096924020	717141599	/nfs/dbraw/zinc/14/15/99/717141599.db2.gz	HXHSYMOTIFWGCZ-UHFFFAOYSA-O	0	3	410.490	3.568	1	30		HHEFHN
CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N(C)C1CCN(C)CC1	ZINC000025326283	520395693	/nfs/dbraw/zinc/39/56/93/520395693.db2.gz	UPFGXAHVLZZXMX-LFVJCYFKSA-N	0	3	420.863	3.673	3	30		HHEFHN
Cc1cc2c(cc1OCCCN1CCN(C)CC1)ncc(C#N)c2Nc1ccccn1	ZINC000040940601	581092341	/nfs/dbraw/zinc/09/23/41/581092341.db2.gz	MSMXNTQZGDNYDB-UHFFFAOYSA-N	0	3	416.529	3.570	1	30		HHEFHN
CCN(CC)[C@](C)(C#Cc1ncnc2cc(OC)c(OC)cc12)Cc1ccncc1	ZINC000028951213	581095237	/nfs/dbraw/zinc/09/52/37/581095237.db2.gz	DGAQPFVWIZGGAT-XMMPIXPASA-N	0	3	404.514	3.737	1	30		HHEFHN
CCN(CC)[C@@](C)(C#Cc1ncnc2cc(OC)c(OC)cc12)Cc1ccncc1	ZINC000028951215	581095245	/nfs/dbraw/zinc/09/52/45/581095245.db2.gz	DGAQPFVWIZGGAT-DEOSSOPVSA-N	0	3	404.514	3.737	1	30		HHEFHN
CC[NH2+]Cc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)cc(OC)c1[O-]	ZINC000085597123	291249828	/nfs/dbraw/zinc/24/98/28/291249828.db2.gz	JVUBMKMDKYUPJC-SOFGYWHQSA-N	0	3	413.514	3.915	1	30	biogenic,in-vitro	HHEFHN