smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1	ZINC000002526773	552127372	/nfs/dbraw/zinc/12/73/72/552127372.db2.gz	VWGAYSCWLXQJBQ-UHFFFAOYSA-N	-1	1	507.266	1.295	50	30	in-vitro	KDEAMM
COC(=O)c1ccc(I)cc1S(=O)(=O)N=C([O-])Nc1nc(C)nc(OC)n1	ZINC000002526773	552127369	/nfs/dbraw/zinc/12/73/69/552127369.db2.gz	VWGAYSCWLXQJBQ-UHFFFAOYSA-N	-1	1	507.266	1.295	50	30	in-vitro	KDEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@]12c1ccccc1N(C)C2=O	ZINC000009110360	553210165	/nfs/dbraw/zinc/21/01/65/553210165.db2.gz	DLRJZZOAEAQZTB-BAVOEBSPSA-N	-1	1	512.588	1.051	50	30		KDEAMM
C=CCN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009302789	553236468	/nfs/dbraw/zinc/23/64/68/553236468.db2.gz	ZUZULGMRLSCVOD-QIPRVMPFSA-N	-1	1	507.572	1.472	50	30		KDEAMM
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009302838	553236422	/nfs/dbraw/zinc/23/64/22/553236422.db2.gz	PXCZSJVVULHTFL-ZUTYSQTGSA-N	-1	1	522.587	1.385	50	30		KDEAMM
C=CCN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009433842	553263669	/nfs/dbraw/zinc/26/36/69/553263669.db2.gz	ZUZULGMRLSCVOD-FXFXYLOPSA-N	-1	1	507.572	1.472	50	30		KDEAMM
CSCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)[O-]	ZINC000028004647	553837476	/nfs/dbraw/zinc/83/74/76/553837476.db2.gz	HZPSWNVHTKOMLQ-CMOCDZPBSA-N	-1	1	548.731	1.588	50	30		KDEAMM
CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)(c1nc(=NN)nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])[n-]1)[N+](=O)[O-]	ZINC000100075432	554204176	/nfs/dbraw/zinc/20/41/76/554204176.db2.gz	IHLWMOVLLFRHCW-UHFFFAOYSA-N	-1	1	629.624	1.468	50	30		KDEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@@]12c1ccccc1N(C)C2=O	ZINC000102869350	555098843	/nfs/dbraw/zinc/09/88/43/555098843.db2.gz	DLRJZZOAEAQZTB-IFDPLDCXSA-N	-1	1	512.588	1.051	50	30		KDEAMM
COc1ccc(CCn2c(N=NCc3ccc(OC)c(OC)c3C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000254594815	1066413821	/nfs/dbraw/zinc/41/38/21/1066413821.db2.gz	UZJWOJMNHXUFJC-UHFFFAOYSA-N	-1	1	536.545	1.846	50	30		KDEAMM
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCC	ZINC001501016412	1066420092	/nfs/dbraw/zinc/42/00/92/1066420092.db2.gz	UPUKKDCTWWVPCJ-LPFOVEROSA-N	-1	1	586.612	1.483	50	30		KDEAMM
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC001501016425	1066420252	/nfs/dbraw/zinc/42/02/52/1066420252.db2.gz	UPUKKDCTWWVPCJ-UALJFJSXSA-N	-1	1	586.612	1.483	50	30		KDEAMM
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC001501016429	1066420767	/nfs/dbraw/zinc/42/07/67/1066420767.db2.gz	UPUKKDCTWWVPCJ-WKIOSHABSA-N	-1	1	586.612	1.483	50	30		KDEAMM