smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CC[NH2+]CCCC[NH2+]CCCNC(=O)CCCCCCC(=O)N[O-])cc1	ZINC000029054555	563093433	/nfs/dbraw/zinc/09/34/33/563093433.db2.gz	ITDFXJAEHXFADT-UHFFFAOYSA-N	1	3	463.667	2.607	1	30		JFEFHO
CC/C(=[NH+]\c1ccc2nc(N3CCN(C)CC3)c(N3CCN(C)CC3)nc2c1)N(CC)CC	ZINC000053151338	563205068	/nfs/dbraw/zinc/20/50/68/563205068.db2.gz	JZPKPNRCXLNHNB-WNAAXNPUSA-N	1	3	452.651	2.915	1	30		JFEFHO
C[C@@H]1[NH2+][C@H](C[C@@H](CC=O)CCCCCCC[C@](O)(C[NH2+]C2(C)CCNCC2)CC(=O)[O-])CC[C@H]1O	ZINC000085488094	560075806	/nfs/dbraw/zinc/07/58/06/560075806.db2.gz	JEOLEFVONPTMJQ-WVBYHWPDSA-N	1	3	497.721	2.751	1	30	biogenic,in-vitro	JFEFHO
C[C@@H]1[NH2+][C@H](C[C@@H](CC=O)CCCCCCC[C@](O)(CNC2(C)CC[NH2+]CC2)CC(=O)[O-])CC[C@H]1O	ZINC000085488094	560075808	/nfs/dbraw/zinc/07/58/08/560075808.db2.gz	JEOLEFVONPTMJQ-WVBYHWPDSA-N	1	3	497.721	2.751	1	30	biogenic,in-vitro	JFEFHO
CC[NH+]=C(NCCCN(C)C)N(CC)Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O	ZINC000049034749	563198566	/nfs/dbraw/zinc/19/85/66/563198566.db2.gz	GGLXLVAUMFNCFU-UHFFFAOYSA-N	1	3	468.650	2.677	1	30		JFEFHO
CCCN1CCN(c2nc3ccc(/[NH+]=C/N(C)C)cc3nc2N2CCN(CCC)CC2)CC1	ZINC000053257417	563205486	/nfs/dbraw/zinc/20/54/86/563205486.db2.gz	PYQRPNZZTJLWTE-LHLOQNFPSA-N	1	3	452.651	2.915	1	30		JFEFHO