smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000019995744	202028517	/nfs/dbraw/zinc/02/85/17/202028517.db2.gz	AVYSXCNZRVFOGQ-RAXLEYEMSA-N	1	2	348.359	-0.336	50	10		EBCALO
C[NH+]1CCN(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000020461373	202043610	/nfs/dbraw/zinc/04/36/10/202043610.db2.gz	OPGOBZRFYGGDFD-FMIVXFBMSA-N	1	2	333.348	-0.302	50	10		EBCALO
COc1ccc(N2CCN(C(=O)C[C@H]3[NH2+]CCNC3=O)CC2)cc1	ZINC000057256234	132198903	/nfs/dbraw/zinc/19/89/03/132198903.db2.gz	OPENPWSYRLOWAI-OAHLLOKOSA-N	1	2	332.404	-0.178	50	10		EBCALO
COc1ccc(N2CCN(C(=O)C[C@@H]3[NH2+]CCNC3=O)CC2)cc1	ZINC000057256235	132198981	/nfs/dbraw/zinc/19/89/81/132198981.db2.gz	OPENPWSYRLOWAI-HNNXBMFYSA-N	1	2	332.404	-0.178	50	10		EBCALO
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000020023789	376007031	/nfs/dbraw/zinc/00/70/31/376007031.db2.gz	ONLJXDBHKAAFGX-WYMLVPIESA-N	1	2	343.387	-0.352	50	10		EBCALO
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000100769112	219105906	/nfs/dbraw/zinc/10/59/06/219105906.db2.gz	AVYSXCNZRVFOGQ-JLHYYAGUSA-N	1	2	348.359	-0.336	50	10		EBCALO
CC[C@H](C)N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000020266426	212114463	/nfs/dbraw/zinc/11/44/63/212114463.db2.gz	GDPXQXNERIESAT-OCUQMRJBSA-N	1	2	340.449	-0.166	50	10		EBCALO
CCCCN1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000019950074	212089514	/nfs/dbraw/zinc/08/95/14/212089514.db2.gz	DJENDTZBGPQLTP-VAWYXSNFSA-N	1	2	340.449	-0.165	50	10		EBCALO
CC[C@@H](C)N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000020266423	212114531	/nfs/dbraw/zinc/11/45/31/212114531.db2.gz	GDPXQXNERIESAT-KPMWUXBGSA-N	1	2	340.449	-0.166	50	10		EBCALO
CCN1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)N(CC)C1=S	ZINC000019995982	212093257	/nfs/dbraw/zinc/09/32/57/212093257.db2.gz	LCNUUTRIJIJIDH-UHFFFAOYSA-N	1	2	340.449	-0.212	50	10		EBCALO
COc1ccccc1N1C(=O)C(=CN[NH+]=C(N)N)C(=O)NC1=S	ZINC000006849183	378394399	/nfs/dbraw/zinc/39/43/99/378394399.db2.gz	URALTQRDXNUSIH-VOTSOKGWSA-N	1	2	334.361	-0.274	50	10		EBCALO