smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[C@H]([N@@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C	ZINC000004820465	170023358	/nfs/dbraw/zinc/02/33/58/170023358.db2.gz	UDTRLIVLFCHUOX-KKUMJFAQSA-N	2	1	264.413	3.255	1	0		CGAFMP
Cc1cc(N)[nH+]c2ccc(-c3ccc(C[NH3+])cc3)cc12	ZINC000045324838	175359597	/nfs/dbraw/zinc/35/95/97/175359597.db2.gz	ARYTUQLAWYKNLJ-UHFFFAOYSA-N	2	1	263.344	3.251	1	0		CGAFMP
Cc1cc(N)[nH+]c2ccc(-c3ccc(CC[NH3+])cc3)cc12	ZINC000045230273	175334438	/nfs/dbraw/zinc/33/44/38/175334438.db2.gz	SBYBFMBBWMNPOB-UHFFFAOYSA-N	2	1	277.371	3.294	1	0		CGAFMP
C[NH2+]Cc1ccc(-c2ccc3cc[nH+]c(N)c3c2)cc1	ZINC000045322366	175359535	/nfs/dbraw/zinc/35/95/35/175359535.db2.gz	DEBUZGWWQQHBCC-UHFFFAOYSA-N	2	1	263.344	3.203	1	0		CGAFMP
C[NH2+]Cc1cccc(-c2ccc3cc[nH+]c(N)c3c2)c1	ZINC000045191022	175326172	/nfs/dbraw/zinc/32/61/72/175326172.db2.gz	FLWDHUWRZIAUNM-UHFFFAOYSA-N	2	1	263.344	3.203	1	0		CGAFMP
C[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])Cc2ccco2)C[C@@H]1C	ZINC000004820467	170023333	/nfs/dbraw/zinc/02/33/33/170023333.db2.gz	UDTRLIVLFCHUOX-SOUVJXGZSA-N	2	1	264.413	3.255	1	0		CGAFMP
C[NH+](C)CCC[NH2+]C1c2ccccc2CCc2ccccc21	ZINC000299860122	572538303	/nfs/dbraw/zinc/53/83/03/572538303.db2.gz	ZZQIUKYXFDLEMN-UHFFFAOYSA-N	2	1	294.442	3.416	1	0		CGAFMP
Nc1[nH+]ccc2cc(C[NH2+]CCc3ccccc3)ccc21	ZINC000066100857	527567351	/nfs/dbraw/zinc/56/73/51/527567351.db2.gz	ACQAMOITEMIUTC-UHFFFAOYSA-N	2	1	277.371	3.149	1	0		CGAFMP
Cc1cc(N)[nH+]c2ccc(-c3cccc(C[NH3+])c3)cc12	ZINC000045322579	175359925	/nfs/dbraw/zinc/35/99/25/175359925.db2.gz	SQJIWIRHUXHHPI-UHFFFAOYSA-N	2	1	263.344	3.251	1	0		CGAFMP
Cc1[nH+]c[nH]c1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1	ZINC000045394337	175376367	/nfs/dbraw/zinc/37/63/67/175376367.db2.gz	HEAXBETWXPYFMF-GXTWGEPZSA-N	2	1	275.783	3.265	1	0		CGAFMP
[NH3+]CC1CCN(c2[nH+]c3ccccc3c3c2CCCC3)CC1	ZINC000001658452	134637087	/nfs/dbraw/zinc/63/70/87/134637087.db2.gz	UUAKCBNXSFFFOQ-UHFFFAOYSA-N	2	1	295.430	3.289	3	0		CGAFMP
COc1ccc(F)cc1C[N@H+](CC(C)C)C1CC[NH2+]CC1	ZINC000036093156	172437301	/nfs/dbraw/zinc/43/73/01/172437301.db2.gz	OBYWTTLIKLJWKI-UHFFFAOYSA-N	2	1	294.414	3.044	1	0		CGAFMP
COc1ccc(F)cc1C[N@@H+](CC(C)C)C1CC[NH2+]CC1	ZINC000036093156	172437302	/nfs/dbraw/zinc/43/73/02/172437302.db2.gz	OBYWTTLIKLJWKI-UHFFFAOYSA-N	2	1	294.414	3.044	1	0		CGAFMP