smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCN(C(N)=[NH2+])CC1	2599553	166178847	/nfs/dbraw/zinc/17/88/47/166178847.db2.gz	HTZUFHUCBPHQSD-UHFFFAOYSA-N	2	2	168.244	-0.317	50	30	in-vitro	ABEALP
C=CC[NH+]1CCN(C(=O)C[NH3+])CC1	2599555	166180000	/nfs/dbraw/zinc/18/00/00/166180000.db2.gz	ZLLIGTGLSYKGNV-UHFFFAOYSA-N	2	2	183.255	-0.725	50	30		ABEALP
[NH2+]=C(Cc1nc[nH]n1)N[C@H]1CC[NH2+]C1	170619035	169132149	/nfs/dbraw/zinc/13/21/49/169132149.db2.gz	MDQHNLLSUYCCDD-LURJTMIESA-N	2	2	194.242	-0.934	50	30		ABEALP
[NH2+]=C(Cc1nc[nH]n1)N[C@@H]1CC[NH2+]C1	170619034	169132442	/nfs/dbraw/zinc/13/24/42/169132442.db2.gz	MDQHNLLSUYCCDD-ZCFIWIBFSA-N	2	2	194.242	-0.934	50	30		ABEALP
N/C(=[NH+]\O)C1CC[NH2+]CC1	83119258	169133343	/nfs/dbraw/zinc/13/33/43/169133343.db2.gz	SQZQSQVPENGEOK-UHFFFAOYSA-N	2	2	143.190	-0.268	50	30		ABEALP
[NH3+]CC#CC[NH+]1CCOCC1	39320551	169173733	/nfs/dbraw/zinc/17/37/33/169173733.db2.gz	JOWSVDKIKMAKOH-UHFFFAOYSA-N	2	2	154.213	-0.719	50	30		ABEALP
C#CC[N@@H+]1CCC[NH2+]CC1	19504917	171211315	/nfs/dbraw/zinc/21/13/15/171211315.db2.gz	PIXBBFRQUKVNLN-UHFFFAOYSA-N	2	2	138.214	-0.085	50	30	in-vitro	ABEALP
C#CC[N@H+]1CCC[NH2+]CC1	19504917	171211317	/nfs/dbraw/zinc/21/13/17/171211317.db2.gz	PIXBBFRQUKVNLN-UHFFFAOYSA-N	2	2	138.214	-0.085	50	30	in-vitro	ABEALP
N/C(CCC[NH3+])=[NH+]\O	70603423	343501799	/nfs/dbraw/zinc/50/17/99/343501799.db2.gz	YXAFRXCCWGNZFW-UHFFFAOYSA-N	2	2	117.152	-0.528	50	30		ABEALP
CN(C)/C=[NH+]/C=[N+](C)C	100642395	343719228	/nfs/dbraw/zinc/71/92/28/343719228.db2.gz	JJGJHEBEAKCISL-UHFFFAOYSA-N	2	2	128.199	-0.123	50	30	in-vitro	ABEALP