smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889697	787568291	/nfs/dbraw/zinc/56/82/91/787568291.db2.gz	OYLOPILMDACBLW-VGKMCQHDSA-N	-1	0	333.344	-1.002	20	10		EACDRM
N[C@@H]1NCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@H]2NCN[C@H]21	ZINC001147893076	787568375	/nfs/dbraw/zinc/56/83/75/787568375.db2.gz	JROGEGUTZJUNEF-BFHYXJOUSA-N	-1	0	329.364	-1.702	20	10		EACDRM
N[C@@H]1NCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@@H]2NCN[C@@H]21	ZINC001147893082	787568671	/nfs/dbraw/zinc/56/86/71/787568671.db2.gz	JROGEGUTZJUNEF-MCIONIFRSA-N	-1	0	329.364	-1.702	20	10		EACDRM
N[C@@H]1NCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@H]2NCN[C@@H]21	ZINC001147893083	787567508	/nfs/dbraw/zinc/56/75/08/787567508.db2.gz	JROGEGUTZJUNEF-MGPQQGTHSA-N	-1	0	329.364	-1.702	20	10		EACDRM
N[C@@H]1NCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@@H]2NCN[C@H]21	ZINC001147893085	787568030	/nfs/dbraw/zinc/56/80/30/787568030.db2.gz	JROGEGUTZJUNEF-MJBXVCDLSA-N	-1	0	329.364	-1.702	20	10		EACDRM
C[C@H]1[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001148589646	787593779	/nfs/dbraw/zinc/59/37/79/787593779.db2.gz	FYZLQNJMBRTPOK-NVNXEXLPSA-N	-1	0	332.290	-1.065	20	10		EACDRM
O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)c1ccc(O)c(O)c1	ZINC001187524290	790475137	/nfs/dbraw/zinc/47/51/37/790475137.db2.gz	JGXGHESTJGOBNO-VIFPVBQESA-N	-1	0	335.316	-1.209	20	10		EACDRM
O=C(c1cc([O-])[nH]c(=O)c1)N1CC2(C1)CN(C1COC1)C(=O)CO2	ZINC001269381105	785537185	/nfs/dbraw/zinc/53/71/85/785537185.db2.gz	GACMWEOOMIULRS-UHFFFAOYSA-N	-1	0	335.316	-1.055	20	10		EACDRM
O=C(c1cc([O-])[nH]c(=O)c1)N1CC2(C1)COCC(=O)N2C1COC1	ZINC001269381954	785536682	/nfs/dbraw/zinc/53/66/82/785536682.db2.gz	ZKUVGQOCUIEYQR-UHFFFAOYSA-N	-1	0	335.316	-1.055	20	10		EACDRM