smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](Cc3cccn3-c3nnc(N4CC[NH+](Cc5ccccc5)CC4)s3)CC2)cc1	ZINC000009228476	553223290	/nfs/dbraw/zinc/22/32/90/553223290.db2.gz	FBIZJRYHUFXQSP-UHFFFAOYSA-N	2	2	529.714	3.982	50	10		KHCALP
CCOc1cccc(C[N@H+]2CC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)c1O	ZINC000014993943	553524427	/nfs/dbraw/zinc/52/44/27/553524427.db2.gz	UATNLWVFQWOLNF-LADGPHEKSA-N	2	2	511.663	3.765	50	10		KHCALP
CCOc1cccc(C[N@@H+]2CC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)c1O	ZINC000014993943	553524424	/nfs/dbraw/zinc/52/44/24/553524424.db2.gz	UATNLWVFQWOLNF-LADGPHEKSA-N	2	2	511.663	3.765	50	10		KHCALP
CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCC[NH+](C)C)o2)[nH+]1	ZINC000036028532	554141934	/nfs/dbraw/zinc/14/19/34/554141934.db2.gz	MRURWEADIGFMRM-UHFFFAOYSA-N	2	2	524.691	3.551	50	10		KHCALP
COc1ccc(N2CCN(c3cc(C)[nH+]c(SCc4cccc(C(=O)NCC[NH+](C)C)c4)n3)CC2)cc1	ZINC000036053865	554158668	/nfs/dbraw/zinc/15/86/68/554158668.db2.gz	XDMBTJGTABADQI-UHFFFAOYSA-N	2	2	520.703	3.704	50	10		KHCALP
COc1ccc(N2CCN(c3cc(C)[nH+]c(SCc4cccc(C(=O)N5CC[NH+](C)CC5)c4)n3)CC2)cc1	ZINC000036053871	554158699	/nfs/dbraw/zinc/15/86/99/554158699.db2.gz	QBRZAWATNDRNTP-UHFFFAOYSA-N	2	2	532.714	3.800	50	10		KHCALP
C[C@@H](C[NH2+]Cc1cc(I)cc(I)c1O)C[NH+]1CCCCC1	ZINC000048277668	554321505	/nfs/dbraw/zinc/32/15/05/554321505.db2.gz	OSZGTJWGSVUBPT-LBPRGKRZSA-N	2	2	514.189	3.813	50	10		KHCALP
C[C@H](C[NH2+]Cc1cc(I)cc(I)c1O)C[NH+]1CCCCC1	ZINC000048277671	554321442	/nfs/dbraw/zinc/32/14/42/554321442.db2.gz	OSZGTJWGSVUBPT-GFCCVEGCSA-N	2	2	514.189	3.813	50	10		KHCALP
Oc1c(I)cc(I)cc1C[NH2+]CCC[NH+]1CCCCC1	ZINC000048277674	554321363	/nfs/dbraw/zinc/32/13/63/554321363.db2.gz	VBDXQNORQSTNKZ-UHFFFAOYSA-N	2	2	500.162	3.567	50	10		KHCALP
Oc1c(I)cc(I)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000252527893	572262511	/nfs/dbraw/zinc/26/25/11/572262511.db2.gz	DPNLTZINOKURDK-UHFFFAOYSA-N	2	2	526.200	3.909	50	10		KHCALP