smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Br)cc(Br)cc1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000008856909	553167807	/nfs/dbraw/zinc/16/78/07/553167807.db2.gz	NVXVHZKADYQVHC-SRZZPIQSSA-N	-1	1	543.220	2.221	50	30		KEEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OS(=O)(=O)c1ccc(OC)cc1	ZINC000012285223	553356573	/nfs/dbraw/zinc/35/65/73/553356573.db2.gz	POFCRJXIWCCDIW-FNLSEGDXSA-N	-1	1	507.546	2.258	50	30		KEEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OS(=O)(=O)c1ccc(OC)cc1	ZINC000012285224	553356577	/nfs/dbraw/zinc/35/65/77/553356577.db2.gz	POFCRJXIWCCDIW-YPKZHZFPSA-N	-1	1	507.546	2.258	50	30		KEEAMM
CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=O)c3c([O-])c(Cl)c(Cl)c(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000085867072	553687358	/nfs/dbraw/zinc/68/73/58/553687358.db2.gz	KDAKZYMFENBLJN-KTVRTFKKSA-N	-1	1	619.359	2.157	50	30	biogenic	KEEAMM
COc1c2c(cc(CCN(C)C(=O)c3ccccc3Cl)c1C=CC(=O)c1c(=O)[nH]c(=O)n(C)c1[O-])OCO2	ZINC000097968169	553928695	/nfs/dbraw/zinc/92/86/95/553928695.db2.gz	DGOUWLPBTXBXJC-CMDGGOBGSA-N	-1	1	541.944	2.381	50	30		KEEAMM
C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000098002612	554053710	/nfs/dbraw/zinc/05/37/10/554053710.db2.gz	VFDAADSYMNXXFG-UHFFFAOYSA-N	-1	1	540.120	2.375	50	30		KEEAMM
C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1I	ZINC000098045127	554130918	/nfs/dbraw/zinc/13/09/18/554130918.db2.gz	LRTZSDKADJKYIP-UHFFFAOYSA-N	-1	1	524.052	2.210	50	30		KEEAMM
C=CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1I	ZINC000098045127	554130914	/nfs/dbraw/zinc/13/09/14/554130914.db2.gz	LRTZSDKADJKYIP-UHFFFAOYSA-N	-1	1	524.052	2.210	50	30		KEEAMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)Nc3cccc(C(=O)[O-])c3)C1=O)O2	ZINC000253407951	572286903	/nfs/dbraw/zinc/28/69/03/572286903.db2.gz	KHXKAHFXUJISBP-UTYZVXQHSA-N	-1	1	520.494	2.495	50	30		KEEAMM
COc1ccc(CN=Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)c(C(=O)[O-])c1OC	ZINC000254499665	1066422558	/nfs/dbraw/zinc/42/25/58/1066422558.db2.gz	ZRNFULZJRMKXGF-UHFFFAOYSA-N	-1	1	520.546	2.228	50	30		KEEAMM
CCCCCCCCCCCCCCCC(=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(C)=O	ZINC001501016311	1066430571	/nfs/dbraw/zinc/43/05/71/1066430571.db2.gz	OXJICFMKFJWEES-CSSARADGSA-N	-1	1	614.666	2.263	50	30		KEEAMM
CCCCCCCCCCCCCCCC(=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(C)=O	ZINC001501016312	1066430546	/nfs/dbraw/zinc/43/05/46/1066430546.db2.gz	OXJICFMKFJWEES-LVVXOFBCSA-N	-1	1	614.666	2.263	50	30		KEEAMM
CCCCCCCCCCCCCCCC(=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(C)=O	ZINC001501016313	1066430599	/nfs/dbraw/zinc/43/05/99/1066430599.db2.gz	OXJICFMKFJWEES-SKXJYMGUSA-N	-1	1	614.666	2.263	50	30		KEEAMM
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O)OC(C)=O	ZINC001501016314	1066430586	/nfs/dbraw/zinc/43/05/86/1066430586.db2.gz	OXJICFMKFJWEES-ZZNFMOFKSA-N	-1	1	614.666	2.263	50	30		KEEAMM