smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1	ZINC000001676204	567841131	/nfs/dbraw/zinc/84/11/31/567841131.db2.gz	HAXFWBLKTHKLAL-UHFFFAOYSA-N	1	2	297.785	4.391	40	5		CIBBLO
CCOc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000004353768	169961667	/nfs/dbraw/zinc/96/16/67/169961667.db2.gz	ZRBOQQLDMOTBPC-UHFFFAOYSA-N	1	2	287.746	4.449	40	5		CIBBLO
CC(C)NC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409189429	567934779	/nfs/dbraw/zinc/93/47/79/567934779.db2.gz	LBLBFBJITKNBNA-UHFFFAOYSA-N	1	2	295.411	4.083	40	5		CIBBLO
COc1ccc2[nH]c3c(c2c1)c(C)c1c[nH+]ccc1c3C	ZINC000037866067	173813637	/nfs/dbraw/zinc/81/36/37/173813637.db2.gz	BKRMCDAOAQWNTG-UHFFFAOYSA-N	1	2	276.339	4.495	40	5	in-vivo	CIBBLO
CCCNC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409189343	567934881	/nfs/dbraw/zinc/93/48/81/567934881.db2.gz	JOWQZNXUCYDGNW-UHFFFAOYSA-N	1	2	295.411	4.084	40	5		CIBBLO