smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCc1cc(Cl)c(O)c(Cl)c1	ZINC000001595033	567838929	/nfs/dbraw/zinc/83/89/29/567838929.db2.gz	PJUWJQDQGVXGEI-UHFFFAOYSA-N	0	1	275.219	5.602	40	30		CKEBMN
CCCCCCCCCCSc1n[nH]c(=S)s1	ZINC000001724622	520024098	/nfs/dbraw/zinc/02/40/98/520024098.db2.gz	STUOKTRFEREHEI-UHFFFAOYSA-N	0	1	290.523	5.433	40	30		CKEBMN
Clc1cc(Cl)c(NN=Cc2ccccc2)c(Cl)c1	ZINC000004744398	170010449	/nfs/dbraw/zinc/01/04/49/170010449.db2.gz	VOVHIQWFBPFFMA-CAOOACKPSA-N	0	1	299.588	5.093	40	30		CKEBMN
Cc1ccc(NC(=Nc2ccccc2)c2ccccc2)cc1	ZINC000005588237	170116736	/nfs/dbraw/zinc/11/67/36/170116736.db2.gz	OCDRNZKRTCCEDC-UHFFFAOYSA-N	0	1	286.378	5.185	40	30		CKEBMN
c1ccc([C@@H]2Cc3ccccc3/C2=N/C2CCCCC2)cc1	ZINC000016973347	570225479	/nfs/dbraw/zinc/22/54/79/570225479.db2.gz	AKMYNJLWHQZXQF-RZRVEKSFSA-N	0	1	289.422	5.148	40	30		CKEBMN
c1ccc([C@H]2Cc3ccccc3/C2=N\C2CCCCC2)cc1	ZINC000018033185	567875966	/nfs/dbraw/zinc/87/59/66/567875966.db2.gz	AKMYNJLWHQZXQF-SQYHMDOVSA-N	0	1	289.422	5.148	40	30		CKEBMN
Clc1cc(Cl)c(NN=Cc2ccccc2)c(Cl)c1	ZINC000031647472	567885276	/nfs/dbraw/zinc/88/52/76/567885276.db2.gz	VOVHIQWFBPFFMA-IUXPMGMMSA-N	0	1	299.588	5.093	40	30		CKEBMN
CCCCCCCCCCCCCCN1CCOCC1	ZINC000100076596	567912165	/nfs/dbraw/zinc/91/21/65/567912165.db2.gz	JMJDXDJTXDRLAL-UHFFFAOYSA-N	0	1	283.500	5.020	40	30		CKEBMN
c1ccc([C@@H]2Cc3ccccc3/C2=N\C2CCCCC2)cc1	ZINC000104136011	567916098	/nfs/dbraw/zinc/91/60/98/567916098.db2.gz	AKMYNJLWHQZXQF-VSRNGQBXSA-N	0	1	289.422	5.148	40	30		CKEBMN
c1ccc([C@H]2Cc3ccccc3/C2=N/C2CCCCC2)cc1	ZINC000104136019	567916036	/nfs/dbraw/zinc/91/60/36/567916036.db2.gz	AKMYNJLWHQZXQF-VWKSNAFDSA-N	0	1	289.422	5.148	40	30		CKEBMN
CCCCCCCCCCCCSCN(CC)CC	ZINC000104205584	567916347	/nfs/dbraw/zinc/91/63/47/567916347.db2.gz	TVUCKKYOHJETKQ-UHFFFAOYSA-N	0	1	287.557	5.940	40	30		CKEBMN
C[C@@H]1CC(C=O)=C(O)c2cc3ccc4ccccc4c3cc21	ZINC000104348595	567916789	/nfs/dbraw/zinc/91/67/89/567916789.db2.gz	BAGKRAQIMBIVKI-PKVLTRFUSA-N	0	1	288.346	5.125	40	30		CKEBMN
C[C@@H]1CC(C=O)=C(O)c2cc3ccc4ccccc4c3cc21	ZINC000104348602	567916703	/nfs/dbraw/zinc/91/67/03/567916703.db2.gz	BAGKRAQIMBIVKI-QJMZJAKPSA-N	0	1	288.346	5.125	40	30		CKEBMN
C[C@H]1CC(C=O)=C(O)c2cc3ccc4ccccc4c3cc21	ZINC000104348607	567916743	/nfs/dbraw/zinc/91/67/43/567916743.db2.gz	BAGKRAQIMBIVKI-YGRGUWMTSA-N	0	1	288.346	5.125	40	30		CKEBMN
C[C@H]1CC(C=O)=C(O)c2cc3ccc4ccccc4c3cc21	ZINC000104348613	567916684	/nfs/dbraw/zinc/91/66/84/567916684.db2.gz	BAGKRAQIMBIVKI-CMHHUMAZSA-N	0	1	288.346	5.125	40	30		CKEBMN