smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@@H+](C)C1	ZINC000095583139	185381184	/nfs/dbraw/zinc/38/11/84/185381184.db2.gz	VXPAMWVVWOOAQG-FRFSOERESA-N	1	1	314.429	2.757	1	10		DFCFMO
CCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)C[N@@H+](C)[C@@H]1C2	ZINC000040676414	183116383	/nfs/dbraw/zinc/11/63/83/183116383.db2.gz	UOOUTXUBCNKZJO-YSVLISHTSA-N	1	1	312.413	2.794	1	10		DFCFMO
CC1=NN(C(=O)C[N@@H+]2CCCC[C@H]2C)[C@@H](c2ccccc2O)C1	ZINC000195510322	201396917	/nfs/dbraw/zinc/39/69/17/201396917.db2.gz	UZDQLLPGHXIQRR-GDBMZVCRSA-N	1	1	315.417	2.916	1	10		DFCFMO
CCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OC)C[N@@H+](C)[C@H]1C2	ZINC000029481358	182566736	/nfs/dbraw/zinc/56/67/36/182566736.db2.gz	UOOUTXUBCNKZJO-UNEWFSDZSA-N	1	1	312.413	2.794	1	10		DFCFMO
C[N@@H+]1CCc2cc3c(c4c2[C@@H]1Cc1cc(O)c(O)cc1-4)OCO3	ZINC000095099641	560062251	/nfs/dbraw/zinc/06/22/51/560062251.db2.gz	CLMZZZSMLRGUJI-LBPRGKRZSA-N	1	1	311.337	2.579	1	10	biogenic,in-vitro	DFCFMO
C[N@H+]1CCc2cc3c(c4c2[C@@H]1Cc1cc(O)c(O)cc1-4)OCO3	ZINC000095099641	560062253	/nfs/dbraw/zinc/06/22/53/560062253.db2.gz	CLMZZZSMLRGUJI-LBPRGKRZSA-N	1	1	311.337	2.579	1	10	biogenic,in-vitro	DFCFMO
CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OC)C[N@@H+](C)[C@@H]1C2	ZINC000040676412	183116512	/nfs/dbraw/zinc/11/65/12/183116512.db2.gz	UOOUTXUBCNKZJO-JLJPHGGASA-N	1	1	312.413	2.794	1	10		DFCFMO
CC1=NN(C(=O)C[N@@H+]2CCCC[C@@H]2C)[C@@H](c2ccccc2O)C1	ZINC000195510325	201397495	/nfs/dbraw/zinc/39/74/95/201397495.db2.gz	UZDQLLPGHXIQRR-GOEBONIOSA-N	1	1	315.417	2.916	1	10		DFCFMO
COc1ccc2[nH+]c3cccc([N+](=O)[O-])c3c(NCCO)c2c1	ZINC000005940416	181299170	/nfs/dbraw/zinc/29/91/70/181299170.db2.gz	QKERPOLKEQREML-UHFFFAOYSA-N	1	1	313.313	2.709	1	10		DFCFMO