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)CCC[N+]1([O-])c2ccccc2CCc2ccccc21	ZINC000001678359	560183733	/nfs/dbraw/zinc/18/37/33/560183733.db2.gz	CADMPLPEJHVVFU-UHFFFAOYSA-N	0	3	296.414	3.874	1	5	in-vitro	CHBFHN
Cc1cccc2c1ccc1c(=O)c3c(oc21)C(=O)OCC3C	ZINC000014689981	560224480	/nfs/dbraw/zinc/22/44/80/560224480.db2.gz	JKXNGDLZOMUEBL-SNVBAGLBSA-N	0	3	294.306	3.529	1	5	biogenic,in-vitro	CHBFHN
C[C@@]12C[C@@H](CC(C)(C)C1)N(Cc1cccc([N+](=O)[O-])c1)C2	ZINC000000214312	567924916	/nfs/dbraw/zinc/92/49/16/567924916.db2.gz	GQOSNBDGQBEHJN-NVXWUHKLSA-N	0	3	288.391	3.995	1	5		CHBFHN
O=c1cc(CN2CCCC2)c2c(ccc3ccccc32)o1	ZINC000007785947	170302806	/nfs/dbraw/zinc/30/28/06/170302806.db2.gz	DTSAPERJQRICGP-UHFFFAOYSA-N	0	3	279.339	3.542	3	5		CHBFHN
c1nc2c([nH]1)[C@H](c1cc3ccccc3c3ccccc31)NCC2	ZINC000005723387	170133190	/nfs/dbraw/zinc/13/31/90/170133190.db2.gz	CBYUYCTYGJQFGR-IBGZPJMESA-N	0	3	299.377	3.951	1	5		CHBFHN
C[n+]1c2c(cc3ccccc31)[n-]c1cccc(Cl)c12	ZINC000066166858	525396932	/nfs/dbraw/zinc/39/69/32/525396932.db2.gz	KIKNZZGHCNGHAT-UHFFFAOYSA-O	0	3	267.739	3.952	1	5		CHBFHN
C[C@]12C[C@H](CC(C)(C)C1)N(Cc1cccc([N+](=O)[O-])c1)C2	ZINC000003680977	567017387	/nfs/dbraw/zinc/01/73/87/567017387.db2.gz	GQOSNBDGQBEHJN-RDJZCZTQSA-N	0	3	288.391	3.995	1	5		CHBFHN