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(-c2nn[nH]n2)c1)C(=O)C1CCCC1	ZINC000826378847	609372101	/nfs/dbraw/zinc/37/21/01/609372101.db2.gz	BQHQIERXCBTTBO-NTEUORMPSA-N	0	0	293.330	2.533	20	50		CFGDRN
N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)C1CCCC1	ZINC000826379206	609371978	/nfs/dbraw/zinc/37/19/78/609371978.db2.gz	LRYLLFAYZQMKHS-YFHOEESVSA-N	0	0	299.359	2.594	20	50		CFGDRN
C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2=NNC(=O)[O-])C1	ZINC000828160534	601332169	/nfs/dbraw/zinc/33/21/69/601332169.db2.gz	HYJXYVKFXHKJSV-NQBHXWOUSA-N	0	0	267.373	2.531	20	50		CFGDRN
N#CC(=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1CCCC1	ZINC000826378945	609372240	/nfs/dbraw/zinc/37/22/40/609372240.db2.gz	FPRPDNYPRUKJRM-ZROIWOOFSA-N	0	0	293.330	2.533	20	50		CFGDRN
N#CC(=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1CCCC1	ZINC000826378944	609372381	/nfs/dbraw/zinc/37/23/81/609372381.db2.gz	FPRPDNYPRUKJRM-NTEUORMPSA-N	0	0	293.330	2.533	20	50		CFGDRN
CN(N=CC(C)(C)C[N@H+](C)Cc1ccccc1)C(=O)[O-]	ZINC000828381903	603581348	/nfs/dbraw/zinc/58/13/48/603581348.db2.gz	CGOUHJITKFBNQC-UHFFFAOYSA-N	0	0	277.368	2.740	20	50		CFGDRN
C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=NNC(=O)[O-])C1	ZINC000828160536	601332657	/nfs/dbraw/zinc/33/26/57/601332657.db2.gz	HYJXYVKFXHKJSV-NTZNESFSSA-N	0	0	267.373	2.531	20	50		CFGDRN
N#CC(=Cc1cccc(-c2nn[nH]n2)c1)C(=O)C1CCCC1	ZINC000826378848	609372728	/nfs/dbraw/zinc/37/27/28/609372728.db2.gz	BQHQIERXCBTTBO-ZROIWOOFSA-N	0	0	293.330	2.533	20	50		CFGDRN
N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)C1CCCC1	ZINC000826379305	609372647	/nfs/dbraw/zinc/37/26/47/609372647.db2.gz	OIEISWVXQYBPBN-YHYXMXQVSA-N	0	0	299.359	2.594	20	50		CFGDRN
CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000825049573	608879436	/nfs/dbraw/zinc/87/94/36/608879436.db2.gz	CSMBNANDNZFRFV-VKRGWIQLSA-N	0	0	299.309	2.528	20	50		CFGDRN
CC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000825049571	608878949	/nfs/dbraw/zinc/87/89/49/608878949.db2.gz	CSMBNANDNZFRFV-ISAHRAOESA-N	0	0	299.309	2.528	20	50		CFGDRN
N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)C1CCCC1	ZINC000826379304	609372423	/nfs/dbraw/zinc/37/24/23/609372423.db2.gz	OIEISWVXQYBPBN-BJMVGYQFSA-N	0	0	299.359	2.594	20	50		CFGDRN
CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000825049572	608879547	/nfs/dbraw/zinc/87/95/47/608879547.db2.gz	CSMBNANDNZFRFV-NJQKBMNKSA-N	0	0	299.309	2.528	20	50		CFGDRN
CC[C@H](C)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000105966580	632483103	/nfs/dbraw/zinc/48/31/03/632483103.db2.gz	JDTUUDIITFQPAC-QMMMGPOBSA-N	0	0	288.269	2.513	20	50		CFGDRN
C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=NNC(=O)[O-])C1	ZINC000828160532	601332306	/nfs/dbraw/zinc/33/23/06/601332306.db2.gz	HYJXYVKFXHKJSV-LOWVWBTDSA-N	0	0	267.373	2.531	20	50		CFGDRN
N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)C1CCCC1	ZINC000826379205	609372516	/nfs/dbraw/zinc/37/25/16/609372516.db2.gz	LRYLLFAYZQMKHS-JXMROGBWSA-N	0	0	299.359	2.594	20	50		CFGDRN
C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2=NNC(=O)[O-])C1	ZINC000828160538	601332611	/nfs/dbraw/zinc/33/26/11/601332611.db2.gz	HYJXYVKFXHKJSV-WZRBSPASSA-N	0	0	267.373	2.531	20	50		CFGDRN
CC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000825049570	608879489	/nfs/dbraw/zinc/87/94/89/608879489.db2.gz	CSMBNANDNZFRFV-CAXXOGMASA-N	0	0	299.309	2.528	20	50		CFGDRN
CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000824065375	607915327	/nfs/dbraw/zinc/91/53/27/607915327.db2.gz	YXIPSFIFHDDYCW-POHAHGRESA-N	0	0	299.309	2.528	20	50		CFGDRN
CC(C)(C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000824065376	607915413	/nfs/dbraw/zinc/91/54/13/607915413.db2.gz	YXIPSFIFHDDYCW-UXBLZVDNSA-N	0	0	299.309	2.528	20	50		CFGDRN
CC[C@@H](C)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000105966575	632482608	/nfs/dbraw/zinc/48/26/08/632482608.db2.gz	JDTUUDIITFQPAC-MRVPVSSYSA-N	0	0	288.269	2.513	20	50		CFGDRN