smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CNC(=O)c3cnccn3)CC2)cc1	ZINC000034809481	536697781	/nfs/dbraw/zinc/69/77/81/536697781.db2.gz	DSPWGTBSYUPWGW-UHFFFAOYSA-N	0	0	327.388	0.995	1	10		ECCFRN
O=C1c2ccc(CN(CCO)CCO)cc2C(=O)c2nccnc21	ZINC000028238951	202168392	/nfs/dbraw/zinc/16/83/92/202168392.db2.gz	DJZMLJLCVSSKRR-UHFFFAOYSA-N	0	0	327.340	0.039	1	10		ECCFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(/C=C/c3cccc[n+]3C)[C@H](C)[C@H]12	ZINC000026275056	202141119	/nfs/dbraw/zinc/14/11/19/202141119.db2.gz	SOAOIQDPIOFJOD-RBDSIQFVSA-O	0	0	329.376	0.721	1	10		ECCFRN
CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(N(C)C)cc1	ZINC000169353683	206553949	/nfs/dbraw/zinc/55/39/49/206553949.db2.gz	RDJBPWCOLAWIAZ-ZIAGYGMSSA-N	0	0	346.387	0.595	1	10		ECCFRN
Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)c1c(O)cccc1C3=O	ZINC000040392238	213296355	/nfs/dbraw/zinc/29/63/55/213296355.db2.gz	KGCFXHNQGJRPDI-UHFFFAOYSA-N	0	0	337.291	0.113	1	10		ECCFRN
CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(N(C)C)cc1	ZINC000169353682	527815027	/nfs/dbraw/zinc/81/50/27/527815027.db2.gz	RDJBPWCOLAWIAZ-UONOGXRCSA-N	0	0	346.387	0.595	1	10		ECCFRN
[NH3+][C@H](CSc1ccc(SC[C@@H]([NH3+])C(=O)[O-])c(O)c1O)C(=O)[O-]	ZINC000027741271	212574996	/nfs/dbraw/zinc/57/49/96/212574996.db2.gz	YPYGDSVKTHEUMF-PHDIDXHHSA-N	0	0	348.402	0.106	1	10		ECCFRN
CCOC(=O)C([N+]#N)=C([O-])CN1C(=O)[C@H]2CC(C)=C(C)C[C@H]2[C@@H]1O	ZINC000005836972	201665194	/nfs/dbraw/zinc/66/51/94/201665194.db2.gz	JBRLCDUTRGXQKV-SUNKGSAMSA-N	0	0	335.360	0.313	1	10		ECCFRN
CCOC(=O)C([N+]#N)=C([O-])CN1C(=O)[C@H]2CC(C)=C(C)C[C@H]2[C@H]1O	ZINC000005836962	201665531	/nfs/dbraw/zinc/66/55/31/201665531.db2.gz	JBRLCDUTRGXQKV-UHIISALHSA-N	0	0	335.360	0.313	1	10		ECCFRN
Cc1nc2c(c(=O)n(C)c(=O)n2C)c2c1C(=O)c1ccccc1C2=O	ZINC000040865641	213394623	/nfs/dbraw/zinc/39/46/23/213394623.db2.gz	HHHVKJYWJLFHCA-UHFFFAOYSA-N	0	0	335.319	0.716	1	10		ECCFRN
COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(O)c(C(O)O)c1C2=O	ZINC000085486910	290954581	/nfs/dbraw/zinc/95/45/81/290954581.db2.gz	YTSCPJHYZZGYMM-UHFFFAOYSA-N	0	0	346.291	0.874	1	10	biogenic,in-vitro	ECCFRN