smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(CC)C/C=C\CC[N+](C)(CC)CC	ZINC000001571286	342703723	/nfs/dbraw/zinc/70/37/23/342703723.db2.gz	CNOZHSRXPBNGPV-QXMHVHEDSA-N	2	0	242.451	2.906	40	5		BFBBRP
CC[N+](C)(CC)CC[N+]1(C)CCCCCCC1	ZINC000001594951	342704918	/nfs/dbraw/zinc/70/49/18/342704918.db2.gz	JLKRPLCAYMIPGG-UHFFFAOYSA-N	2	0	242.451	2.884	40	5		BFBBRP
CC[N+](C)(CC)CC[N+]1(C)Cc2ccccc2C1	ZINC000001673465	342708097	/nfs/dbraw/zinc/70/80/97/342708097.db2.gz	CDWXMMYPVRFXKR-UHFFFAOYSA-N	2	0	248.414	2.633	40	5		BFBBRP
CC[N+](CC)(CC)CC[N+](CC)(CC)CC	ZINC000001762539	342712353	/nfs/dbraw/zinc/71/23/53/342712353.db2.gz	YUFDHZDLJFUAPC-UHFFFAOYSA-N	2	0	230.440	2.739	40	5		BFBBRP
CC[N+](C)(CC)C/C=C/CC[N+](C)(CC)CC	ZINC000006424754	342777675	/nfs/dbraw/zinc/77/76/75/342777675.db2.gz	CNOZHSRXPBNGPV-VAWYXSNFSA-N	2	0	242.451	2.906	40	5		BFBBRP
C[N+]([NH3+])(Cc1ccccc1)Cc1ccccc1	ZINC000001681694	383923983	/nfs/dbraw/zinc/92/39/83/383923983.db2.gz	NHFFYAONIYOMAQ-UHFFFAOYSA-N	2	0	227.331	2.707	40	5		BFBBRP
C[N+](C)(C)CCCCCCCC[N+](C)(C)C	ZINC000001730255	383930947	/nfs/dbraw/zinc/93/09/47/383930947.db2.gz	XDZILQXNIZCEDV-UHFFFAOYSA-N	2	0	230.440	2.739	40	5		BFBBRP