smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1cc(F)ccc1F	ZINC000161460807	473237305	/nfs/dbraw/zinc/23/73/05/473237305.db2.gz	UDDFWOKYDOVKQB-SVRRBLITSA-N	-1	1	332.232	2.844	10	70		EFIEMM
Cc1nc(CCNC(=O)c2cnc3nc(C)ccc3c2[O-])sc1C	ZINC000160091184	473087216	/nfs/dbraw/zinc/08/72/16/473087216.db2.gz	OUBIEAFDDRXQKD-UHFFFAOYSA-N	-1	1	342.424	2.690	10	70		EFIEMM
Cc1nc(CCNC(=O)c2c[n-]c3nc(C)ccc3c2=O)sc1C	ZINC000160091184	473087219	/nfs/dbraw/zinc/08/72/19/473087219.db2.gz	OUBIEAFDDRXQKD-UHFFFAOYSA-N	-1	1	342.424	2.690	10	70		EFIEMM
CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nccs1	ZINC000159958364	310693472	/nfs/dbraw/zinc/69/34/72/310693472.db2.gz	QHILNKKLFBZQKQ-JTQLQIEISA-N	-1	1	336.360	2.990	10	70		EFIEMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nccs1	ZINC000159934150	473072499	/nfs/dbraw/zinc/07/24/99/473072499.db2.gz	XKYOOYLSDXJOGU-MRVPVSSYSA-N	-1	1	336.360	2.990	10	70		EFIEMM
Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)cc2[O-])[nH]n1	ZINC000161243250	239067916	/nfs/dbraw/zinc/06/79/16/239067916.db2.gz	WPDGLRBGCOETMC-QMMMGPOBSA-N	-1	1	338.205	2.547	10	70		EFIEMM
Cc1ccc([O-])c(C(=O)c2cc(C(N)=O)c(C)nc2C(F)(F)F)c1	ZINC000217011336	241230056	/nfs/dbraw/zinc/23/00/56/241230056.db2.gz	STPZYQNDMPWYCW-UHFFFAOYSA-N	-1	1	338.285	2.753	10	70		EFIEMM
COc1ccc2c(c1)[nH]cc(C(=O)[N-]OCCC(F)(F)F)c2=O	ZINC000160980350	473196887	/nfs/dbraw/zinc/19/68/87/473196887.db2.gz	SRIAOXVSLXIXPQ-UHFFFAOYSA-N	-1	1	330.262	2.563	10	70		EFIEMM
O=C(N[C@H]1CCCc2sccc21)c1nc2ccccc2c(=O)[n-]1	ZINC000161159579	284190547	/nfs/dbraw/zinc/19/05/47/284190547.db2.gz	OKVZINJPGVBVTL-LBPRGKRZSA-N	-1	1	325.393	2.792	10	70		EFIEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CC=C(c2ccccc2F)CC1	ZINC000161145540	473212198	/nfs/dbraw/zinc/21/21/98/473212198.db2.gz	CRLGVNOUXWWUCQ-UHFFFAOYSA-N	-1	1	349.365	2.992	10	70		EFIEMM
Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)cc2[O-])[nH]n1	ZINC000161243134	533756030	/nfs/dbraw/zinc/75/60/30/533756030.db2.gz	WPDGLRBGCOETMC-MRVPVSSYSA-N	-1	1	338.205	2.547	10	70		EFIEMM
COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1	ZINC000160378187	273022118	/nfs/dbraw/zinc/02/21/18/273022118.db2.gz	RMCKAIYWRKLKHU-NSHDSACASA-N	-1	1	342.355	2.788	10	70		EFIEMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1cc(F)ccc1F	ZINC000161461064	473236802	/nfs/dbraw/zinc/23/68/02/473236802.db2.gz	UDDFWOKYDOVKQB-HTRCEHHLSA-N	-1	1	332.232	2.844	10	70		EFIEMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1cc(F)ccc1F	ZINC000161460696	473236988	/nfs/dbraw/zinc/23/69/88/473236988.db2.gz	UDDFWOKYDOVKQB-XPUUQOCRSA-N	-1	1	332.232	2.844	10	70		EFIEMM
CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1nccs1	ZINC000159958484	473075464	/nfs/dbraw/zinc/07/54/64/473075464.db2.gz	QHILNKKLFBZQKQ-SNVBAGLBSA-N	-1	1	336.360	2.990	10	70		EFIEMM
Cc1cccc2nc(CNC(=O)c3nn(-c4ccccc4)cc3[O-])[nH]c21	ZINC000160598273	473148793	/nfs/dbraw/zinc/14/87/93/473148793.db2.gz	LRFZXNLJZSZHOX-UHFFFAOYSA-N	-1	1	347.378	2.693	10	70		EFIEMM
CC(C)N(CCc1nccs1)Cc1nc(=O)c2sccc2[n-]1	ZINC000159793213	473061821	/nfs/dbraw/zinc/06/18/21/473061821.db2.gz	QUVTURJJKFLWBC-UHFFFAOYSA-N	-1	1	334.470	2.894	10	70		EFIEMM
O=C(N[C@@H]1CCCc2sccc21)c1nc2ccccc2c(=O)[n-]1	ZINC000161159480	473212903	/nfs/dbraw/zinc/21/29/03/473212903.db2.gz	OKVZINJPGVBVTL-GFCCVEGCSA-N	-1	1	325.393	2.792	10	70		EFIEMM
O=C(c1ccc2ccccc2c1[O-])N1CCC(OCCCO)CC1	ZINC000160256831	544804373	/nfs/dbraw/zinc/80/43/73/544804373.db2.gz	VYIAEZQRSGHRKR-UHFFFAOYSA-N	-1	1	329.396	2.549	10	70		EFIEMM
COc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1	ZINC000160378099	273022098	/nfs/dbraw/zinc/02/20/98/273022098.db2.gz	RMCKAIYWRKLKHU-LLVKDONJSA-N	-1	1	342.355	2.788	10	70		EFIEMM
CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1nccs1	ZINC000159934012	473072619	/nfs/dbraw/zinc/07/26/19/473072619.db2.gz	XKYOOYLSDXJOGU-QMMMGPOBSA-N	-1	1	336.360	2.990	10	70		EFIEMM
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)n1	ZINC000161183748	473215152	/nfs/dbraw/zinc/21/51/52/473215152.db2.gz	LXNAYQDKRPTYIW-UHFFFAOYSA-N	-1	1	345.362	2.874	10	70		EFIEMM
CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)[nH]n1	ZINC000159864336	528086386	/nfs/dbraw/zinc/08/63/86/528086386.db2.gz	OLBNKDVERNBMSR-QMMMGPOBSA-N	-1	1	345.856	2.809	10	70		EFIEMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCC2=CCCC2)o1	ZINC000160254095	310696662	/nfs/dbraw/zinc/69/66/62/310696662.db2.gz	YVTZXQNLCLELSI-UHFFFAOYSA-N	-1	1	340.445	2.587	10	70		EFIEMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1cc(F)ccc1F	ZINC000161460930	473237213	/nfs/dbraw/zinc/23/72/13/473237213.db2.gz	UDDFWOKYDOVKQB-POYBYMJQSA-N	-1	1	332.232	2.844	10	70		EFIEMM
CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)[nH]n1	ZINC000159864209	528909852	/nfs/dbraw/zinc/90/98/52/528909852.db2.gz	OLBNKDVERNBMSR-MRVPVSSYSA-N	-1	1	345.856	2.809	10	70		EFIEMM