smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCC1	ZINC000826378847	609372105	/nfs/dbraw/zinc/37/21/05/609372105.db2.gz	BQHQIERXCBTTBO-NTEUORMPSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCC1	ZINC000826378847	609372108	/nfs/dbraw/zinc/37/21/08/609372108.db2.gz	BQHQIERXCBTTBO-NTEUORMPSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)C1CCCC1	ZINC000826379206	609371985	/nfs/dbraw/zinc/37/19/85/609371985.db2.gz	LRYLLFAYZQMKHS-YFHOEESVSA-N	-1	3	299.359	2.594	20	50		CFGDHM
N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCC1	ZINC000826378945	609372243	/nfs/dbraw/zinc/37/22/43/609372243.db2.gz	FPRPDNYPRUKJRM-ZROIWOOFSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCC1	ZINC000826378945	609372244	/nfs/dbraw/zinc/37/22/44/609372244.db2.gz	FPRPDNYPRUKJRM-ZROIWOOFSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCC1	ZINC000826378944	609372384	/nfs/dbraw/zinc/37/23/84/609372384.db2.gz	FPRPDNYPRUKJRM-NTEUORMPSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCC1	ZINC000826378944	609372388	/nfs/dbraw/zinc/37/23/88/609372388.db2.gz	FPRPDNYPRUKJRM-NTEUORMPSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCC1	ZINC000826378848	609372731	/nfs/dbraw/zinc/37/27/31/609372731.db2.gz	BQHQIERXCBTTBO-ZROIWOOFSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCC1	ZINC000826378848	609372729	/nfs/dbraw/zinc/37/27/29/609372729.db2.gz	BQHQIERXCBTTBO-ZROIWOOFSA-N	-1	3	293.330	2.533	20	50		CFGDHM
N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)C1CCCC1	ZINC000826379305	609372648	/nfs/dbraw/zinc/37/26/48/609372648.db2.gz	OIEISWVXQYBPBN-YHYXMXQVSA-N	-1	3	299.359	2.594	20	50		CFGDHM
N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)C1CCCC1	ZINC000826379305	609372650	/nfs/dbraw/zinc/37/26/50/609372650.db2.gz	OIEISWVXQYBPBN-YHYXMXQVSA-N	-1	3	299.359	2.594	20	50		CFGDHM
CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000825049573	608879438	/nfs/dbraw/zinc/87/94/38/608879438.db2.gz	CSMBNANDNZFRFV-VKRGWIQLSA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000825049573	608879440	/nfs/dbraw/zinc/87/94/40/608879440.db2.gz	CSMBNANDNZFRFV-VKRGWIQLSA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000825049571	608878955	/nfs/dbraw/zinc/87/89/55/608878955.db2.gz	CSMBNANDNZFRFV-ISAHRAOESA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000825049571	608878959	/nfs/dbraw/zinc/87/89/59/608878959.db2.gz	CSMBNANDNZFRFV-ISAHRAOESA-N	-1	3	299.309	2.528	20	50		CFGDHM
N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)C1CCCC1	ZINC000826379304	609372425	/nfs/dbraw/zinc/37/24/25/609372425.db2.gz	OIEISWVXQYBPBN-BJMVGYQFSA-N	-1	3	299.359	2.594	20	50		CFGDHM
N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)C1CCCC1	ZINC000826379304	609372427	/nfs/dbraw/zinc/37/24/27/609372427.db2.gz	OIEISWVXQYBPBN-BJMVGYQFSA-N	-1	3	299.359	2.594	20	50		CFGDHM
CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000825049572	608879549	/nfs/dbraw/zinc/87/95/49/608879549.db2.gz	CSMBNANDNZFRFV-NJQKBMNKSA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000825049572	608879551	/nfs/dbraw/zinc/87/95/51/608879551.db2.gz	CSMBNANDNZFRFV-NJQKBMNKSA-N	-1	3	299.309	2.528	20	50		CFGDHM
N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)C1CCCC1	ZINC000826379205	609372520	/nfs/dbraw/zinc/37/25/20/609372520.db2.gz	LRYLLFAYZQMKHS-JXMROGBWSA-N	-1	3	299.359	2.594	20	50		CFGDHM
CC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000825049570	608879490	/nfs/dbraw/zinc/87/94/90/608879490.db2.gz	CSMBNANDNZFRFV-CAXXOGMASA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000825049570	608879491	/nfs/dbraw/zinc/87/94/91/608879491.db2.gz	CSMBNANDNZFRFV-CAXXOGMASA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000824065375	607915328	/nfs/dbraw/zinc/91/53/28/607915328.db2.gz	YXIPSFIFHDDYCW-POHAHGRESA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000824065375	607915329	/nfs/dbraw/zinc/91/53/29/607915329.db2.gz	YXIPSFIFHDDYCW-POHAHGRESA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000824065376	607915414	/nfs/dbraw/zinc/91/54/14/607915414.db2.gz	YXIPSFIFHDDYCW-UXBLZVDNSA-N	-1	3	299.309	2.528	20	50		CFGDHM
CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000824065376	607915415	/nfs/dbraw/zinc/91/54/15/607915415.db2.gz	YXIPSFIFHDDYCW-UXBLZVDNSA-N	-1	3	299.309	2.528	20	50		CFGDHM