smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[n-]cnc2nc([N-]N=C3C(=O)C=Cc4ccccc43)nc1-2	ZINC000104334459	432016483	/nfs/dbraw/zinc/01/64/83/432016483.db2.gz	MNAOWHXKCJFRGT-DQRAZIAOSA-N	-2	3	305.301	3.209	40	10		DGCBHL
Nc1nc[n-]c2nc([N-]N=C3C(=O)C=Cc4ccccc43)nc1-2	ZINC000104334459	432016485	/nfs/dbraw/zinc/01/64/85/432016485.db2.gz	MNAOWHXKCJFRGT-DQRAZIAOSA-N	-2	3	305.301	3.209	40	10		DGCBHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)cc1[O-]	ZINC000408722651	434593481	/nfs/dbraw/zinc/59/34/81/434593481.db2.gz	AZKWDIFKMWYBDK-PTNGSMBKSA-N	-2	3	307.353	3.419	40	10		DGCBHL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000005555411	431312802	/nfs/dbraw/zinc/31/28/02/431312802.db2.gz	HTMXPMPFXYXGSA-UHFFFAOYSA-N	-2	3	311.790	3.409	40	10		DGCBHL
Nc1[n-]cnc2nc([N-]N=C3C(=O)C=Cc4ccccc43)nc1-2	ZINC000104334462	432016767	/nfs/dbraw/zinc/01/67/67/432016767.db2.gz	MNAOWHXKCJFRGT-QURGRASLSA-N	-2	3	305.301	3.209	40	10		DGCBHL
Nc1nc[n-]c2nc([N-]N=C3C(=O)C=Cc4ccccc43)nc1-2	ZINC000104334462	432016769	/nfs/dbraw/zinc/01/67/69/432016769.db2.gz	MNAOWHXKCJFRGT-QURGRASLSA-N	-2	3	305.301	3.209	40	10		DGCBHL
O=C1c2c([O-])ccc(Cl)c2C(=O)c2c([O-])ccc(Cl)c21	ZINC000004748496	285014073	/nfs/dbraw/zinc/01/40/73/285014073.db2.gz	MVTQMYUSTKVGRP-UHFFFAOYSA-N	-2	3	309.104	3.180	40	10		DGCBHL