smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)N=Nc1c[nH]nc1C(N)=O	104119226	343728949	/nfs/dbraw/zinc/72/89/49/343728949.db2.gz	MGWAKKKDJQVXDN-LUAWRHEFSA-N	0	1	182.187	0.069	40	10		ACCBMN
CCOC(=O)C=CO	100412680	167321975	/nfs/dbraw/zinc/32/19/75/167321975.db2.gz	NINSPLAPBBAHEW-ARJAWSKDSA-N	0	1	116.116	0.621	40	10		ACCBMN
CCOC(=O)C1=C(N)CC(=O)NC1=O	104099254	167367562	/nfs/dbraw/zinc/36/75/62/167367562.db2.gz	HJCZZKAJGOALBE-UHFFFAOYSA-N	0	1	198.178	0.252	40	10		ACCBMN
Nc1ccc([NH2+]CC(=O)[O-])cc1	13550061	169293177	/nfs/dbraw/zinc/29/31/77/169293177.db2.gz	KRAWOYVPVQRUAE-UHFFFAOYSA-N	0	1	166.180	0.765	40	10		ACCBMN
CN(C)N=Nc1c[nH]nc1C(N)=O	16932296	343044759	/nfs/dbraw/zinc/04/47/59/343044759.db2.gz	MGWAKKKDJQVXDN-PKNBQFBNSA-N	0	1	182.187	0.069	40	10		ACCBMN
[N-]=[N+]=NCc1c[nH]nn1	5544994	351345604	/nfs/dbraw/zinc/34/56/04/351345604.db2.gz	KQBQJKUOKWVLBJ-UHFFFAOYSA-N	0	1	124.107	0.615	40	10		ACCBMN
Oc1cc2c(cc1O)CNC2	38536748	351482361	/nfs/dbraw/zinc/48/23/61/351482361.db2.gz	ZRAUGZJONYATGX-UHFFFAOYSA-N	0	1	151.165	0.701	40	10		ACCBMN