smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CCN(c2ccc(Br)cc2)C1	ZINC000262912642	645648260	/nfs/dbraw/zinc/64/82/60/645648260.db2.gz	JYSXRLVIDYHRDP-WBVHZDCISA-N	2	1	394.361	2.287	10	30		GEEEMP
C=CCOc1c(Br)cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OCC	ZINC000262090973	645616378	/nfs/dbraw/zinc/61/63/78/645616378.db2.gz	GZBWRGBDHHBUNM-ZFWWWQNUSA-N	2	1	385.302	2.083	10	30		GEEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CCN(c2ccc(Br)cc2)C1	ZINC000262912635	645648239	/nfs/dbraw/zinc/64/82/39/645648239.db2.gz	JYSXRLVIDYHRDP-RDJZCZTQSA-N	2	1	394.361	2.287	10	30		GEEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CCN(c2ccccc2Br)C1	ZINC000262773531	645645508	/nfs/dbraw/zinc/64/55/08/645645508.db2.gz	KJZXOUMDTKFCEF-CABCVRRESA-N	2	1	394.361	2.287	10	30		GEEEMP
C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OCC	ZINC000262090968	645616309	/nfs/dbraw/zinc/61/63/09/645616309.db2.gz	GZBWRGBDHHBUNM-HIFRSBDPSA-N	2	1	385.302	2.083	10	30		GEEEMP
C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OCC	ZINC000262090971	645616341	/nfs/dbraw/zinc/61/63/41/645616341.db2.gz	GZBWRGBDHHBUNM-UKRRQHHQSA-N	2	1	385.302	2.083	10	30		GEEEMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CNC(=O)Nc2cccc(C#N)c2)c1	ZINC000016955949	209234566	/nfs/dbraw/zinc/23/45/66/209234566.db2.gz	OTIOCWZVXQZACT-UHFFFAOYSA-N	2	1	390.451	2.065	10	30		GEEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CCN(c2ccccc2Br)C1	ZINC000262773532	645645188	/nfs/dbraw/zinc/64/51/88/645645188.db2.gz	KJZXOUMDTKFCEF-GJZGRUSLSA-N	2	1	394.361	2.287	10	30		GEEEMP
C=CC[NH+](CC=C)[C@@H]1CCc2c(c(C(=O)N3CCC[N@@H+](C)CC3)nn2CC)C1	ZINC000014532176	209166545	/nfs/dbraw/zinc/16/65/45/209166545.db2.gz	DKHZOKOBSLPSLM-GOSISDBHSA-N	2	1	385.556	2.212	10	30		GEEEMP
C=CCOc1c(Br)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OCC	ZINC000262090965	645616198	/nfs/dbraw/zinc/61/61/98/645616198.db2.gz	GZBWRGBDHHBUNM-DZGCQCFKSA-N	2	1	385.302	2.083	10	30		GEEEMP
C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)N3CCC[N@@H+](C)CC3)nn2CC)C1	ZINC000014532175	212097552	/nfs/dbraw/zinc/09/75/52/212097552.db2.gz	DKHZOKOBSLPSLM-SFHVURJKSA-N	2	1	385.556	2.212	10	30		GEEEMP