smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccccc3)nc21	ZINC000028331591	581095719	/nfs/dbraw/zinc/09/57/19/581095719.db2.gz	XBWWAXISBXJSMQ-UHFFFAOYSA-N	0	2	413.264	4.752	1	0		HJAFLN
CC(C)C(=O)c1c2oc(C(C)(C)O)cc2c2oc(=O)cc(-c3ccccc3)c2c1O	ZINC000014616141	560223200	/nfs/dbraw/zinc/22/32/00/560223200.db2.gz	VUTHGCZKFOZRRG-UHFFFAOYSA-N	0	2	406.434	4.978	1	0	in-vitro	HJAFLN
COc1c(OCCc2ccccc2)cc2oc(-c3ccc(O)cc3)cc(O)c-2c1=O	ZINC000085633035	291276266	/nfs/dbraw/zinc/27/62/66/291276266.db2.gz	SGPVQYUINVJRIQ-UHFFFAOYSA-N	0	2	404.418	4.501	1	0	biogenic,in-vitro	HJAFLN
CC1(C)[C@@H]2CC[C@@]3(C)Oc4cc(O)c(-c5cc(O)c6c(=O)cc(O)cc-6o5)cc4[C@@H]1[C@@H]23	ZINC000095912676	291273949	/nfs/dbraw/zinc/27/39/49/291273949.db2.gz	WRBXVJKFKHACHK-VGSGKQCPSA-N	0	2	420.461	4.878	1	0	biogenic,in-vitro	HJAFLN
CC(C)Oc1cc(O)cc2oc(-c3ccc(O)c(Cc4ccccc4)c3)c(O)c(=O)c12	ZINC000085569475	291273797	/nfs/dbraw/zinc/27/37/97/291273797.db2.gz	ZPPARCIQTQYNBW-UHFFFAOYSA-N	0	2	418.445	4.955	1	0	biogenic,in-vitro	HJAFLN
CC(C)c1cc(Oc2c(Cl)cc(Nc3c(O)c(=O)c3=O)cc2Cl)ccc1O	ZINC000101180086	581094036	/nfs/dbraw/zinc/09/40/36/581094036.db2.gz	IBUYZQRVGDCNMM-UHFFFAOYSA-N	0	2	408.237	4.660	1	0		HJAFLN
Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1	ZINC000029314660	581094413	/nfs/dbraw/zinc/09/44/13/581094413.db2.gz	BMJSQIFEHACDIX-HXUWFJFHSA-N	0	2	422.506	4.655	1	0		HJAFLN
CC(C)(C)c1cc(Oc2c(Cl)cc(Nc3c(O)c(=O)c3=O)cc2Cl)ccc1O	ZINC000101180090	581094005	/nfs/dbraw/zinc/09/40/05/581094005.db2.gz	KNUFSZUGHNUFJW-UHFFFAOYSA-N	0	2	422.264	4.834	1	0		HJAFLN
Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@@H]2OC(=O)NC2=O)cc1	ZINC000029314654	581094402	/nfs/dbraw/zinc/09/44/02/581094402.db2.gz	BMJSQIFEHACDIX-FQEVSTJZSA-N	0	2	422.506	4.655	1	0		HJAFLN