smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC=C(C#N)CC1	ZINC000826168707	608383759	/nfs/dbraw/zinc/38/37/59/608383759.db2.gz	VYLOHSZKUDIECQ-UHFFFAOYSA-N	1	2	296.334	1.531	20	50		CDGDLO
COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC=C(C#N)CC1	ZINC000826168707	608383761	/nfs/dbraw/zinc/38/37/61/608383761.db2.gz	VYLOHSZKUDIECQ-UHFFFAOYSA-N	1	2	296.334	1.531	20	50		CDGDLO
Cc1cc[nH+]c(NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	ZINC000822373990	946073660	/nfs/dbraw/zinc/07/36/60/946073660.db2.gz	HGIFCEFRDSBXSY-UHFFFAOYSA-N	1	2	295.306	1.327	20	50		CDGDLO
N#CC1=CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC000826380526	608384390	/nfs/dbraw/zinc/38/43/90/608384390.db2.gz	DCFLRELZBDJCFQ-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC000826380526	608384392	/nfs/dbraw/zinc/38/43/92/608384392.db2.gz	DCFLRELZBDJCFQ-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC=C(C#N)CC1	ZINC000826182908	609483119	/nfs/dbraw/zinc/48/31/19/609483119.db2.gz	XTUGXVDQXYUCEO-UHFFFAOYSA-N	1	2	296.334	1.531	20	50		CDGDLO
COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC=C(C#N)CC1	ZINC000826182908	609483120	/nfs/dbraw/zinc/48/31/20/609483120.db2.gz	XTUGXVDQXYUCEO-UHFFFAOYSA-N	1	2	296.334	1.531	20	50		CDGDLO
N#CC1=CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC000826380513	609474952	/nfs/dbraw/zinc/47/49/52/609474952.db2.gz	CQPNEJWZBCUCHK-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1	ZINC000826380513	609474954	/nfs/dbraw/zinc/47/49/54/609474954.db2.gz	CQPNEJWZBCUCHK-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1	ZINC000826381002	609483123	/nfs/dbraw/zinc/48/31/23/609483123.db2.gz	UJVPYOILLQWIJJ-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1	ZINC000826381002	609483124	/nfs/dbraw/zinc/48/31/24/609483124.db2.gz	UJVPYOILLQWIJJ-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1	ZINC000826381008	609485019	/nfs/dbraw/zinc/48/50/19/609485019.db2.gz	USTCAVQJKJJTEL-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1	ZINC000826381008	609485021	/nfs/dbraw/zinc/48/50/21/609485021.db2.gz	USTCAVQJKJJTEL-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC000826380588	609480058	/nfs/dbraw/zinc/48/00/58/609480058.db2.gz	GLRVQILTOHFKFZ-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO
N#CC1=CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1	ZINC000826380588	609480055	/nfs/dbraw/zinc/48/00/55/609480055.db2.gz	GLRVQILTOHFKFZ-UHFFFAOYSA-N	1	2	284.298	1.661	20	50		CDGDLO