smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2nc(CCNC(=O)c3ccc(CN4CCC(C)CC4)o3)[nH]c21	ZINC000217140994	570312882	/nfs/dbraw/zinc/31/28/82/570312882.db2.gz	ZRXNNONDILWVLS-UHFFFAOYSA-N	0	3	380.492	3.669	50	70		GHIAHN
COc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC	ZINC000217021319	570311560	/nfs/dbraw/zinc/31/15/60/570311560.db2.gz	IYLDNEQWMLQFES-UHFFFAOYSA-N	0	3	398.503	3.748	50	70		GHIAHN
CCN(CC)Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(-c2ccccc2)o1	ZINC000217466846	570316663	/nfs/dbraw/zinc/31/66/63/570316663.db2.gz	GKBFVMDNLZBQRT-UHFFFAOYSA-N	0	3	380.492	3.794	50	70		GHIAHN
O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CC=C(c2ccc(F)cc2)CC1	ZINC000218326153	570331273	/nfs/dbraw/zinc/33/12/73/570331273.db2.gz	QXRZEHXLAWTAJC-UHFFFAOYSA-N	0	3	398.478	3.760	50	70		GHIAHN
O=C(Nc1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1	ZINC000217441577	570889836	/nfs/dbraw/zinc/88/98/36/570889836.db2.gz	WWIAQSHOYIBDJW-UHFFFAOYSA-N	0	3	386.521	3.683	50	70		GHIAHN
CCN(CC)Cc1cc(C(=O)N(C)Cc2nnc(C)o2)c(-c2ccccc2)o1	ZINC000217484674	570317067	/nfs/dbraw/zinc/31/70/67/570317067.db2.gz	XBBQXIICZFBHBQ-UHFFFAOYSA-N	0	3	382.464	3.752	50	70		GHIAHN
CN(Cc1nccs1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000216996491	570310809	/nfs/dbraw/zinc/31/08/09/570310809.db2.gz	OTAGDCDQBPNXPW-UHFFFAOYSA-N	0	3	377.513	3.974	50	70		GHIAHN
O=C(Cc1c(F)ccc(F)c1F)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2	ZINC000217156541	231030412	/nfs/dbraw/zinc/03/04/12/231030412.db2.gz	CFDQZMLZVQABLK-SJORKVTESA-N	0	3	388.433	3.769	50	70		GHIAHN