smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN=C=NCCC[NH+](C)C	8034743	560206725	/nfs/dbraw/zinc/20/67/25/560206725.db2.gz	LMDZBCPBFSXMTL-UHFFFAOYSA-N	1	0	155.245	1.132	50	70	in-vitro,metabolite	ADIARO
CC[NH+](CC)[SiH](C)C	169746884	167174559	/nfs/dbraw/zinc/17/45/59/167174559.db2.gz	KYIHWAKEVGKFOA-UHFFFAOYSA-N	1	0	131.295	1.312	50	70		ADIARO
COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1	217907349	168105202	/nfs/dbraw/zinc/10/52/02/168105202.db2.gz	WZKWRCFMDWAEAM-ZJUUUORDSA-N	1	0	199.294	1.527	50	70		ADIARO
Cn1cc(C(C)(C)C)[nH+]c1N	218600419	169036515	/nfs/dbraw/zinc/03/65/15/169036515.db2.gz	JVMQQMIKCVTXTQ-UHFFFAOYSA-N	1	0	153.229	1.300	50	70		ADIARO
C[SiH](C)[NH+]([SiH](C)C)[SiH](C)C	195767451	171200317	/nfs/dbraw/zinc/20/03/17/171200317.db2.gz	GKWYOXBGKANRMK-UHFFFAOYSA-N	1	0	191.499	1.239	50	70		ADIARO
CC(C)c1cn(C)c(N)[nH+]1	218550311	344413705	/nfs/dbraw/zinc/41/37/05/344413705.db2.gz	SOFNLKZHXWZBOL-UHFFFAOYSA-N	1	0	139.202	1.126	50	70		ADIARO
CCN=C=NCCC[N+](C)(C)C	12405182	717106888	/nfs/dbraw/zinc/10/68/88/717106888.db2.gz	JHMDMCSGQQLHNA-UHFFFAOYSA-N	1	0	170.280	1.277	50	70	in-vitro	ADIARO
CC(C)N=C=NCCC[N+](C)(C)C	32628104	717120595	/nfs/dbraw/zinc/12/05/95/717120595.db2.gz	FMIOHIMDVCCXSY-UHFFFAOYSA-N	1	0	184.307	1.665	50	70		ADIARO