smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)Cc1cc2c(cc1[O-])CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000006382504	570646378	/nfs/dbraw/zinc/64/63/78/570646378.db2.gz	SYEMTPLYSXPSEN-XNSSQMBPSA-N	0	3	355.522	4.659	40	10		FJCBHN
CC[NH+](CC)Cc1cc2c(cc1[O-])CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000006382505	570646323	/nfs/dbraw/zinc/64/63/23/570646323.db2.gz	SYEMTPLYSXPSEN-IVKZONNUSA-N	0	3	355.522	4.659	40	10		FJCBHN
Cc1ccc(O)c(CN(CCCn2ccnc2)Cc2ccccc2Cl)c1	ZINC000036740303	571081543	/nfs/dbraw/zinc/08/15/43/571081543.db2.gz	XLXKJUKXTFHLCY-UHFFFAOYSA-N	0	3	369.896	4.643	40	10		FJCBHN
CCN(CC)c1ccc(CN(C)Cc2ccc(Br)cc2)cc1	ZINC000001700099	204017483	/nfs/dbraw/zinc/01/74/83/204017483.db2.gz	KKWVWDOPQUNOJR-UHFFFAOYSA-N	0	3	361.327	4.927	40	10		FJCBHN
CC[NH+](CC)Cc1cc2c(cc1[O-])CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000006382507	204247183	/nfs/dbraw/zinc/24/71/83/204247183.db2.gz	SYEMTPLYSXPSEN-DSXMGRQXSA-N	0	3	355.522	4.659	40	10		FJCBHN
CC[NH+](CC)Cc1cc(Nc2cc(OC)cc3cccnc32)ccc1[O-]	ZINC000001717455	570505497	/nfs/dbraw/zinc/50/54/97/570505497.db2.gz	NLPUHOPTKPSLPC-UHFFFAOYSA-N	0	3	351.450	4.534	40	10		FJCBHN
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000003954450	560191790	/nfs/dbraw/zinc/19/17/90/560191790.db2.gz	QDTNJAYLSJACEQ-UHFFFAOYSA-N	0	3	363.442	4.503	40	10	in-vitro	FJCBHN
CC[NH+](CC)Cc1cc2c(cc1[O-])CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000006382508	570646268	/nfs/dbraw/zinc/64/62/68/570646268.db2.gz	SYEMTPLYSXPSEN-DNGCBJQESA-N	0	3	355.522	4.659	40	10		FJCBHN