smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)CC2	ZINC000159391467	524659834	/nfs/dbraw/zinc/65/98/34/524659834.db2.gz	KZYFFKXNXXFTIW-LLVKDONJSA-N	-1	3	356.398	1.973	10	70		FDIEHM
CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2CC(C)C)o1	ZINC000160310470	524855914	/nfs/dbraw/zinc/85/59/14/524855914.db2.gz	RBKFMJBCMROOHW-CYBMUJFWSA-N	-1	3	358.460	1.855	10	70		FDIEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CC[C@@H](C)O	ZINC000159914535	524766270	/nfs/dbraw/zinc/76/62/70/524766270.db2.gz	VZSIYMRUCOVLIB-LLVKDONJSA-N	-1	3	371.393	1.423	10	70		FDIEHM
CCC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)OC(C)(C)C	ZINC000161331780	525083334	/nfs/dbraw/zinc/08/33/34/525083334.db2.gz	VFXCCEOCTWYUAN-CQSZACIVSA-N	-1	3	351.447	1.946	10	70		FDIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)CC2	ZINC000159364352	524654583	/nfs/dbraw/zinc/65/45/83/524654583.db2.gz	GDAPCHQJSPTIIM-LBPRGKRZSA-N	-1	3	356.398	1.973	10	70		FDIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)CC2	ZINC000159391595	524659407	/nfs/dbraw/zinc/65/94/07/524659407.db2.gz	KZYFFKXNXXFTIW-NSHDSACASA-N	-1	3	356.398	1.973	10	70		FDIEHM
CC[C@@H](O)CCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21	ZINC000160881035	524988968	/nfs/dbraw/zinc/98/89/68/524988968.db2.gz	MRRBGYNMLRMBHR-CYBMUJFWSA-N	-1	3	371.393	1.471	10	70		FDIEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)CC2	ZINC000159364225	524653097	/nfs/dbraw/zinc/65/30/97/524653097.db2.gz	GDAPCHQJSPTIIM-GFCCVEGCSA-N	-1	3	356.398	1.973	10	70		FDIEHM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCN2CC(C)C)oc1C	ZINC000160262299	524843222	/nfs/dbraw/zinc/84/32/22/524843222.db2.gz	DUOUYOSXXSQCJD-CYBMUJFWSA-N	-1	3	358.460	1.773	10	70		FDIEHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159369196	524654285	/nfs/dbraw/zinc/65/42/85/524654285.db2.gz	RNWRDOYVZLBQBH-SNVBAGLBSA-N	-1	3	372.882	1.390	10	70		FDIEHM
C[C@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c2ccccc21	ZINC000159783537	524737053	/nfs/dbraw/zinc/73/70/53/524737053.db2.gz	QCAGDWUWROONSX-WFASDCNBSA-N	-1	3	362.455	1.453	10	70		FDIEHM
C[C@@H]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c2ccccc21	ZINC000159783676	524737217	/nfs/dbraw/zinc/73/72/17/524737217.db2.gz	QCAGDWUWROONSX-IUODEOHRSA-N	-1	3	362.455	1.453	10	70		FDIEHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)co1	ZINC000160546559	524913351	/nfs/dbraw/zinc/91/33/51/524913351.db2.gz	OJUVFEOGODVMFP-CQSZACIVSA-N	-1	3	351.428	1.220	10	70		FDIEHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)co1	ZINC000160546419	524912384	/nfs/dbraw/zinc/91/23/84/524912384.db2.gz	OJUVFEOGODVMFP-AWEZNQCLSA-N	-1	3	351.428	1.220	10	70		FDIEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC(O)CC1	ZINC000159892487	524762185	/nfs/dbraw/zinc/76/21/85/524762185.db2.gz	RNUXXQZIMCMULC-UHFFFAOYSA-N	-1	3	369.377	1.177	10	70		FDIEHM
C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)N1CCOCC1	ZINC000159894781	524761173	/nfs/dbraw/zinc/76/11/73/524761173.db2.gz	AQGFHQDRZHPLDD-NSHDSACASA-N	-1	3	372.263	1.675	10	70		FDIEHM
C[C@H]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c2ccccc21	ZINC000159783805	524736710	/nfs/dbraw/zinc/73/67/10/524736710.db2.gz	QCAGDWUWROONSX-SWLSCSKDSA-N	-1	3	362.455	1.453	10	70		FDIEHM
Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CC[C@H](C)O	ZINC000159914681	524765996	/nfs/dbraw/zinc/76/59/96/524765996.db2.gz	VZSIYMRUCOVLIB-NSHDSACASA-N	-1	3	371.393	1.423	10	70		FDIEHM
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1	ZINC000160037266	524793687	/nfs/dbraw/zinc/79/36/87/524793687.db2.gz	JYHCKUZZLBJVOD-LLVKDONJSA-N	-1	3	356.220	1.575	10	70		FDIEHM
CC[C@H](O)CCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21	ZINC000160880898	524989129	/nfs/dbraw/zinc/98/91/29/524989129.db2.gz	MRRBGYNMLRMBHR-ZDUSSCGKSA-N	-1	3	371.393	1.471	10	70		FDIEHM
C[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c2ccccc21	ZINC000159783412	524738118	/nfs/dbraw/zinc/73/81/18/524738118.db2.gz	QCAGDWUWROONSX-DOMZBBRYSA-N	-1	3	362.455	1.453	10	70		FDIEHM
CCC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)OC(C)(C)C	ZINC000161331656	525082518	/nfs/dbraw/zinc/08/25/18/525082518.db2.gz	VFXCCEOCTWYUAN-AWEZNQCLSA-N	-1	3	351.447	1.946	10	70		FDIEHM
C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)N1CCOCC1	ZINC000159894934	524761224	/nfs/dbraw/zinc/76/12/24/524761224.db2.gz	AQGFHQDRZHPLDD-LLVKDONJSA-N	-1	3	372.263	1.675	10	70		FDIEHM
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1	ZINC000160037133	524793896	/nfs/dbraw/zinc/79/38/96/524793896.db2.gz	JYHCKUZZLBJVOD-NSHDSACASA-N	-1	3	356.220	1.575	10	70		FDIEHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159369329	524654338	/nfs/dbraw/zinc/65/43/38/524654338.db2.gz	RNWRDOYVZLBQBH-JTQLQIEISA-N	-1	3	372.882	1.390	10	70		FDIEHM