smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN[C@H]1C=C[C@H](O)[C@@H](O)[C@@H]1O	28476061	167001746	/nfs/dbraw/zinc/00/17/46/167001746.db2.gz	SGCUBGMIPHDTJO-RBXMUDONSA-N	0	3	187.239	-0.993	1	0		ABAFHN
CCCN[C@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1O	28476055	167003253	/nfs/dbraw/zinc/00/32/53/167003253.db2.gz	SGCUBGMIPHDTJO-JQCXWYLXSA-N	0	3	187.239	-0.993	1	0		ABAFHN
CCC[C@@H]1CNC(=O)[C@@H]1N	27856042	167053112	/nfs/dbraw/zinc/05/31/12/167053112.db2.gz	JRFVNQIHALEMHY-PHDIDXHHSA-N	0	3	142.202	-0.140	1	0		ABAFHN
COC(=O)[C@@H]1C[C@H]2N[C@@H]1CCC2=O	26166629	168114085	/nfs/dbraw/zinc/11/40/85/168114085.db2.gz	PQCAJUWDCABIFS-FSDSQADBSA-N	0	3	183.207	-0.131	1	0		ABAFHN
COC(=O)[C@H]1C[C@H]2N[C@@H]1CCC2=O	26166634	168122939	/nfs/dbraw/zinc/12/29/39/168122939.db2.gz	PQCAJUWDCABIFS-RRKCRQDMSA-N	0	3	183.207	-0.131	1	0		ABAFHN
CO[C@H]1NC(=N)Nc2nc[nH]c21	27524453	168220926	/nfs/dbraw/zinc/22/09/26/168220926.db2.gz	YVKSYEXBVVKPNW-RXMQYKEDSA-N	0	3	167.172	-0.396	1	0		ABAFHN
CSCC[C@H](N)C(=O)NCO	27102974	168302191	/nfs/dbraw/zinc/30/21/91/168302191.db2.gz	ATNBUYRPACBLGI-YFKPBYRVSA-N	0	3	178.257	-0.867	1	0		ABAFHN
Cn1oc2c(c1=O)CNCC2	95590194	169070112	/nfs/dbraw/zinc/07/01/12/169070112.db2.gz	NUTMLTZBTPUNFU-UHFFFAOYSA-N	0	3	154.169	-0.376	1	0		ABAFHN
N=C1SCCN1N	39438830	169145294	/nfs/dbraw/zinc/14/52/94/169145294.db2.gz	FUCUARVTTWOPNK-UHFFFAOYSA-N	0	3	117.177	-0.156	1	0		ABAFHN
NC[C@H]1Nc2ccccc2[C@@H](O)[C@@H]1O	5594028	169217937	/nfs/dbraw/zinc/21/79/37/169217937.db2.gz	MAHRZOLSQHXKSH-OPRDCNLKSA-N	0	3	194.234	-0.166	1	0		ABAFHN
C[C@@H]1CC=C(c2nnn(C)n2)CN1	13739791	171028094	/nfs/dbraw/zinc/02/80/94/171028094.db2.gz	MPBNGLHQBREKHS-ZCFIWIBFSA-N	0	3	179.227	-0.025	1	0		ABAFHN
CO[C@@H]1NC(=N)Nc2nc[nH]c21	27524452	171046752	/nfs/dbraw/zinc/04/67/52/171046752.db2.gz	YVKSYEXBVVKPNW-YFKPBYRVSA-N	0	3	167.172	-0.396	1	0		ABAFHN
C[S@@](=O)(=S)CCN	58591587	171101707	/nfs/dbraw/zinc/10/17/07/171101707.db2.gz	MMOBEVMIJDLKKG-SSDOTTSWSA-N	0	3	139.245	-0.679	1	0		ABAFHN
CN1CCOC1=N	142435376	171159676	/nfs/dbraw/zinc/15/96/76/171159676.db2.gz	PPPKVHNDEQHSBX-UHFFFAOYSA-N	0	3	100.121	-0.117	1	0		ABAFHN