smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000018037563	563022202	/nfs/dbraw/zinc/02/22/02/563022202.db2.gz	WMEVSMOTXCGVSV-OKQURARYSA-N	0	2	439.537	3.835	10	30		IHEELN
COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000018037563	563022203	/nfs/dbraw/zinc/02/22/03/563022203.db2.gz	WMEVSMOTXCGVSV-OKQURARYSA-N	0	2	439.537	3.835	10	30		IHEELN
COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000006498326	562946866	/nfs/dbraw/zinc/94/68/66/562946866.db2.gz	WMEVSMOTXCGVSV-MZRWVFLLSA-N	0	2	439.537	3.835	10	30		IHEELN
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000006498326	562946867	/nfs/dbraw/zinc/94/68/67/562946867.db2.gz	WMEVSMOTXCGVSV-MZRWVFLLSA-N	0	2	439.537	3.835	10	30		IHEELN
COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccccc2O)c([N+](=O)[O-])c1	ZINC000012563683	524644597	/nfs/dbraw/zinc/64/45/97/524644597.db2.gz	ABVIIWDJRSIBDC-FYJGNVAPSA-N	0	2	442.453	3.556	10	30		IHEELN
COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000006498327	562946862	/nfs/dbraw/zinc/94/68/62/562946862.db2.gz	WMEVSMOTXCGVSV-WWEWSSEASA-N	0	2	439.537	3.835	10	30		IHEELN
COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000006498327	562946864	/nfs/dbraw/zinc/94/68/64/562946864.db2.gz	WMEVSMOTXCGVSV-WWEWSSEASA-N	0	2	439.537	3.835	10	30		IHEELN
O=[N+]([O-])c1ccc(N=NC2CCSC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	ZINC000012581935	527360219	/nfs/dbraw/zinc/36/02/19/527360219.db2.gz	LJZFGWOFWZSCIJ-AQTBWJFISA-N	0	2	426.907	3.954	10	30		IHEELN
COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(O)cc2)c([N+](=O)[O-])c1	ZINC000009613485	524645662	/nfs/dbraw/zinc/64/56/62/524645662.db2.gz	ZKWZTCBECCGUSO-FYJGNVAPSA-N	0	2	442.453	3.556	10	30		IHEELN
C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000002736053	518322102	/nfs/dbraw/zinc/32/21/02/518322102.db2.gz	UMQIJFJRAKXADF-BOPFTXTBSA-N	0	2	425.238	3.968	10	30		IHEELN
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccn1	ZINC000009097232	524642308	/nfs/dbraw/zinc/64/23/08/524642308.db2.gz	KMFBLKGXHJOFLP-HYARGMPZSA-N	0	2	441.469	3.635	10	30		IHEELN
COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000018083417	563022192	/nfs/dbraw/zinc/02/21/92/563022192.db2.gz	WMEVSMOTXCGVSV-YIUBJALFSA-N	0	2	439.537	3.835	10	30		IHEELN
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000018083417	563022193	/nfs/dbraw/zinc/02/21/93/563022193.db2.gz	WMEVSMOTXCGVSV-YIUBJALFSA-N	0	2	439.537	3.835	10	30		IHEELN