smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccccc6I)[nH]c5c4)nc3c2)CC1	ZINC000113618924	571440865	/nfs/dbraw/zinc/44/08/65/571440865.db2.gz	UOHARKYRPCGBEI-UHFFFAOYSA-N	1	1	534.405	5.130	30	0		KKACMO
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc(I)c6)[nH]c5c4)nc3c2)CC1	ZINC000002047211	551737079	/nfs/dbraw/zinc/73/70/79/551737079.db2.gz	ZEXOKHKEQNNOBG-UHFFFAOYSA-N	1	1	534.405	5.130	30	0	in-vitro	KKACMO
O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc21	ZINC000042834601	554296671	/nfs/dbraw/zinc/29/66/71/554296671.db2.gz	BTUWHHFNOHVCMQ-UHFFFAOYSA-N	1	1	539.643	5.817	30	0	in-vivo	KKACMO
O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc21	ZINC000042834601	554296675	/nfs/dbraw/zinc/29/66/75/554296675.db2.gz	BTUWHHFNOHVCMQ-UHFFFAOYSA-N	1	1	539.643	5.817	30	0	in-vivo	KKACMO
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(I)cc6)[nH]c5c4)nc3c2)CC1	ZINC000113618708	571440820	/nfs/dbraw/zinc/44/08/20/571440820.db2.gz	WSBVZEKIZWIJQO-UHFFFAOYSA-N	1	1	534.405	5.130	30	0	in-vitro	KKACMO