smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(C)cc(CC)c1C1C(=O)N2CCC(C)(O)CCN2C1=O	ZINC000103192074	204066062	/nfs/dbraw/zinc/06/60/62/204066062.db2.gz	JYIPNENWFKXABY-UHFFFAOYSA-N	0	2	344.455	2.334	1	10		EECFLN
CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCO[C@H](C)CN2C1=O	ZINC000103192095	219267740	/nfs/dbraw/zinc/26/77/40/219267740.db2.gz	XYFFMHAAAAZOKT-DYVFJYSZSA-N	0	2	330.428	2.208	1	10		EECFLN
CCc1cc(C)cc(CC)c1C1C(=O)N2CCO[C@H](C)CN2C1=O	ZINC000103192095	219267741	/nfs/dbraw/zinc/26/77/41/219267741.db2.gz	XYFFMHAAAAZOKT-DYVFJYSZSA-N	0	2	330.428	2.208	1	10		EECFLN
CC(=O)N1CCC(c2[nH][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1	ZINC000102639090	219216779	/nfs/dbraw/zinc/21/67/79/219216779.db2.gz	LHMJRAAQHHRNBB-DSGGYQJVSA-N	0	2	349.341	2.161	1	10		EECFLN
CC(=O)N1CCC(c2[nH][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1	ZINC000102639096	219216916	/nfs/dbraw/zinc/21/69/16/219216916.db2.gz	LHMJRAAQHHRNBB-AYAKEVCGSA-N	0	2	349.341	2.161	1	10		EECFLN
CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCO[C@@H](C)CN2C1=O	ZINC000103192102	219267224	/nfs/dbraw/zinc/26/72/24/219267224.db2.gz	XYFFMHAAAAZOKT-GUYCJALGSA-N	0	2	330.428	2.208	1	10		EECFLN
CCc1cc(C)cc(CC)c1C1C(=O)N2CCO[C@@H](C)CN2C1=O	ZINC000103192102	219267226	/nfs/dbraw/zinc/26/72/26/219267226.db2.gz	XYFFMHAAAAZOKT-GUYCJALGSA-N	0	2	330.428	2.208	1	10		EECFLN
CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCO[C@H](C)CN2C1=O	ZINC000103192091	204065874	/nfs/dbraw/zinc/06/58/74/204065874.db2.gz	XYFFMHAAAAZOKT-CXAGYDPISA-N	0	2	330.428	2.208	1	10		EECFLN
CCc1cc(C)cc(CC)c1C1C(=O)N2CCO[C@H](C)CN2C1=O	ZINC000103192091	204065877	/nfs/dbraw/zinc/06/58/77/204065877.db2.gz	XYFFMHAAAAZOKT-CXAGYDPISA-N	0	2	330.428	2.208	1	10		EECFLN
COc1ccc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2OC)cc1O	ZINC000014436868	560221362	/nfs/dbraw/zinc/22/13/62/560221362.db2.gz	LIIZTGPIKLYGNT-UHFFFAOYSA-N	0	2	346.291	2.300	1	10	biogenic,in-vitro	EECFLN
CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCO[C@@H](C)CN2C1=O	ZINC000103192098	219267799	/nfs/dbraw/zinc/26/77/99/219267799.db2.gz	XYFFMHAAAAZOKT-SUMWQHHRSA-N	0	2	330.428	2.208	1	10		EECFLN
CCc1cc(C)cc(CC)c1C1C(=O)N2CCO[C@@H](C)CN2C1=O	ZINC000103192098	219267801	/nfs/dbraw/zinc/26/78/01/219267801.db2.gz	XYFFMHAAAAZOKT-SUMWQHHRSA-N	0	2	330.428	2.208	1	10		EECFLN
O=c1cc(/C=C/c2cc(O)c(O)c(O)c2)oc2c(O)c(O)ccc12	ZINC000103175720	219265780	/nfs/dbraw/zinc/26/57/80/219265780.db2.gz	YYGFDZJAFOUNQR-OWOJBTEDSA-N	0	2	328.276	2.491	1	10		EECFLN
O=C1c2cc(O)cc(O)c2C(=O)c2c(O)c3c(O)cc(O)cc3cc21	ZINC000003779658	560189351	/nfs/dbraw/zinc/18/93/51/560189351.db2.gz	CGFVUVWMYIHGHS-UHFFFAOYSA-N	0	2	338.271	2.143	1	10	in-vitro	EECFLN
O=c1cc(O)cc2oc(C=Cc3cc(O)c(O)c(O)c3)cc(O)c1-2	ZINC000103175719	204065194	/nfs/dbraw/zinc/06/51/94/204065194.db2.gz	VWZZNVCSKHLBPY-OWOJBTEDSA-N	0	2	328.276	2.491	1	10		EECFLN
O=c1cc(C=Cc2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12	ZINC000103175719	204065196	/nfs/dbraw/zinc/06/51/96/204065196.db2.gz	VWZZNVCSKHLBPY-OWOJBTEDSA-N	0	2	328.276	2.491	1	10		EECFLN
O=c1cc(O)n(-c2cn3c(-c4ccc(Cl)cc4)csc3n2)[nH]1	ZINC000103259614	204069912	/nfs/dbraw/zinc/06/99/12/204069912.db2.gz	SQRZBYOXRVIMFX-UHFFFAOYSA-N	0	2	332.772	2.484	1	10		EECFLN
CCc1cc(CC)c(C2C(=O)N3CCOCCN3C2=O)c(CC)c1	ZINC000103168558	219265168	/nfs/dbraw/zinc/26/51/68/219265168.db2.gz	DGSXTLDNTZMWAL-UHFFFAOYSA-N	0	2	330.428	2.073	1	10		EECFLN
COc1cc(O)c(O)c2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12	ZINC000014437008	560221408	/nfs/dbraw/zinc/22/14/08/560221408.db2.gz	KNEPLXVAXBQPGZ-UHFFFAOYSA-N	0	2	346.291	2.300	1	10	biogenic,in-vitro	EECFLN
COc1ccc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2OC)cc1O	ZINC000014437006	560221417	/nfs/dbraw/zinc/22/14/17/560221417.db2.gz	PBBXHFKIHMKJCA-UHFFFAOYSA-N	0	2	346.291	2.300	1	10	biogenic,in-vitro	EECFLN
CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1	ZINC000101161710	219117760	/nfs/dbraw/zinc/11/77/60/219117760.db2.gz	KGZRLNLISWUXBJ-UQCOIBPSSA-N	0	2	339.142	2.018	1	10		EECFLN
O=c1cc(CCc2ccccc2O)oc2c(O)c(O)c(O)c(O)c12	ZINC000095918985	290973582	/nfs/dbraw/zinc/97/35/82/290973582.db2.gz	NJTJTTYZOGWTFG-UHFFFAOYSA-N	0	2	330.292	2.106	1	10	biogenic,in-vitro	EECFLN