smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=C/c2sc3ccc(Cl)cc3[n+]2C)cc1	ZINC000073198958	216362171	/nfs/dbraw/zinc/36/21/71/216362171.db2.gz	CXPCPMDPSKIGQY-UHFFFAOYSA-N	1	0	329.876	4.616	1	10		EJCFRO
Nc1c2ccccc2[nH+]c2ccc3c(=O)cc(-c4ccccc4)oc3c12	ZINC000006006894	210576668	/nfs/dbraw/zinc/57/66/68/210576668.db2.gz	KJASZOGBCZIQRO-UHFFFAOYSA-N	1	0	338.366	4.744	1	10		EJCFRO
CCCC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccccc2)C1	ZINC000027109964	202152912	/nfs/dbraw/zinc/15/29/12/202152912.db2.gz	PKHZFDMRXUUJJW-KRWDZBQOSA-N	1	0	345.870	4.541	1	10		EJCFRO
C[N@@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(-c2ccccc2)cc1	ZINC000035050008	202285126	/nfs/dbraw/zinc/28/51/26/202285126.db2.gz	VMXLXIXJLUZNKL-NRFANRHFSA-N	1	0	345.442	4.537	1	10		EJCFRO
CC(=O)Nc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(N)cc1	ZINC000026940400	202150488	/nfs/dbraw/zinc/15/04/88/202150488.db2.gz	NIUNXSHUSNJFOD-UHFFFAOYSA-N	1	0	342.402	4.672	1	10		EJCFRO
COc1ccc(N(Cc2ccccc2)[C@H]2CC[N@H+](C)C(C)(C)C2)cc1	ZINC000040834302	213391107	/nfs/dbraw/zinc/39/11/07/213391107.db2.gz	QZTJPXKMMNUCBP-FQEVSTJZSA-N	1	0	338.495	4.575	1	10		EJCFRO
C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N)c2ccc(Cl)cc21	ZINC000096914084	218898390	/nfs/dbraw/zinc/89/83/90/218898390.db2.gz	BRSVWXJTHXRBIJ-UHFFFAOYSA-O	1	0	334.830	4.552	1	10		EJCFRO
C[N@@H+]1CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(-c2ccccc2)cc1	ZINC000035050009	213005760	/nfs/dbraw/zinc/00/57/60/213005760.db2.gz	VMXLXIXJLUZNKL-OAQYLSRUSA-N	1	0	345.442	4.537	1	10		EJCFRO
CCN1c2ccccc2O/C1=C/C=C/c1oc2ccccc2[n+]1CC	ZINC000000106856	209424436	/nfs/dbraw/zinc/42/44/36/209424436.db2.gz	VZUFSMBGWBLOCB-UHFFFAOYSA-N	1	0	333.411	4.514	1	10		EJCFRO
C[NH+](C)CC/C=C1\c2cc(Cl)ccc2Sc2cccc(N)c21	ZINC000027992556	212592724	/nfs/dbraw/zinc/59/27/24/212592724.db2.gz	AOMGJFKTPMMEGM-WLRTZDKTSA-N	1	0	330.884	4.770	1	10		EJCFRO
CC(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccccc32)cc1	ZINC000026841817	202148936	/nfs/dbraw/zinc/14/89/36/202148936.db2.gz	QHGKRLDQSQSYLJ-UHFFFAOYSA-O	1	0	342.422	4.520	1	10		EJCFRO
CC(=O)Nc1ccc2c(c1)c(Nc1ccccc1)c1ccccc1[n+]2C	ZINC000055783077	214342085	/nfs/dbraw/zinc/34/20/85/214342085.db2.gz	QEPQTDTURFRBAX-UHFFFAOYSA-O	1	0	342.422	4.520	1	10		EJCFRO
CN(C)c1ccc(/C=C2\CCN3Cc4ccccc4[NH+]=C23)c(Cl)c1	ZINC000101030339	219114348	/nfs/dbraw/zinc/11/43/48/219114348.db2.gz	FWMALHBOBWIGQN-RVDMUPIBSA-N	1	0	337.854	4.739	1	10		EJCFRO