smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC1(C(=O)Nc2ccccc2S)CCCCC1	ZINC000013813315	170597144	/nfs/dbraw/zinc/59/71/44/170597144.db2.gz	GIBQUYMCEXFBRU-UHFFFAOYSA-N	0	2	277.433	4.664	1	0		CJAFLN
CC[C@H](OC(=S)Nc1ccccc1)c1ccccc1	ZINC000040394380	174252859	/nfs/dbraw/zinc/25/28/59/174252859.db2.gz	ACTFVZQALUROCW-HNNXBMFYSA-N	0	2	271.385	4.551	1	0		CJAFLN
CC[C@@H](OC(=S)Nc1ccccc1)c1ccccc1	ZINC000040394381	174252687	/nfs/dbraw/zinc/25/26/87/174252687.db2.gz	ACTFVZQALUROCW-OAHLLOKOSA-N	0	2	271.385	4.551	1	0		CJAFLN
CCCCCCc1c(OC)cc(CCCCC)oc1=O	ZINC000073198869	176460827	/nfs/dbraw/zinc/46/08/27/176460827.db2.gz	VCHCHXBOIAGCCA-UHFFFAOYSA-N	0	2	280.408	4.504	1	0		CJAFLN