smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1O	ZINC000020128777	171016669	/nfs/dbraw/zinc/01/66/69/171016669.db2.gz	XFMJWBJFKOXHKR-UHFFFAOYSA-N	2	0	278.396	2.366	50	10		CECARP
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1O	ZINC000002498755	260009472	/nfs/dbraw/zinc/00/94/72/260009472.db2.gz	FTSVGLSXPBPEQE-UHFFFAOYSA-N	2	0	293.455	2.098	50	10		CECARP
CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1	ZINC000067846866	639778728	/nfs/dbraw/zinc/77/87/28/639778728.db2.gz	UIPUXORZEBBFDI-LBPRGKRZSA-N	2	0	262.397	2.470	50	10		CECARP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccco3)cc2)CC1	ZINC000095459022	364387015	/nfs/dbraw/zinc/38/70/15/364387015.db2.gz	CBNRPOTUDNROEG-UHFFFAOYSA-N	2	0	285.391	2.321	50	10		CECARP
CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1	ZINC000067846865	639777048	/nfs/dbraw/zinc/77/70/48/639777048.db2.gz	UIPUXORZEBBFDI-GFCCVEGCSA-N	2	0	262.397	2.470	50	10		CECARP
CN(C)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1	ZINC000020128906	171016356	/nfs/dbraw/zinc/01/63/56/171016356.db2.gz	HIFQSTCGCVLODT-UHFFFAOYSA-N	2	0	261.413	2.328	50	10		CECARP
Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(O)c1	ZINC000067490072	362908018	/nfs/dbraw/zinc/90/80/18/362908018.db2.gz	LYXDJVKSKHUWPP-UHFFFAOYSA-N	2	0	260.381	2.276	50	10		CECARP
C[NH+](C)CCC[NH2+]Cc1ccc(N2CCCC2)cc1	ZINC000008733401	170351995	/nfs/dbraw/zinc/35/19/95/170351995.db2.gz	OLJAKKUICLEAJV-UHFFFAOYSA-N	2	0	261.413	2.328	50	10		CECARP
NC(=[NH2+])c1ccc(/N=N/Nc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000003830706	394453993	/nfs/dbraw/zinc/45/39/93/394453993.db2.gz	XNYZHCFCZNMTFY-UHFFFAOYSA-N	2	0	281.323	2.366	50	10	world	CECARP
COc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(O)c1	ZINC000072140356	176323264	/nfs/dbraw/zinc/32/32/64/176323264.db2.gz	JIIINAHVHXWSKS-UHFFFAOYSA-N	2	0	290.407	2.366	50	10		CECARP
COc1cccc(O)c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1	ZINC000065406285	362819148	/nfs/dbraw/zinc/81/91/48/362819148.db2.gz	MDVUYXRMDRFDCO-UHFFFAOYSA-N	2	0	290.407	2.319	50	10		CECARP
CCOc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1O	ZINC000067840097	362926570	/nfs/dbraw/zinc/92/65/70/362926570.db2.gz	MVOWRTRVTHPJKS-UHFFFAOYSA-N	2	0	290.407	2.366	50	10		CECARP