smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002988831	518255805	/nfs/dbraw/zinc/25/58/05/518255805.db2.gz	HVBGZJIQUKXTPI-YWEFTTLKSA-N	-2	1	360.391	1.351	50	30		FDEAML
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cc1	ZINC000012541660	207389775	/nfs/dbraw/zinc/38/97/75/207389775.db2.gz	LGVHLJAFEMKRHA-UHFFFAOYSA-N	-2	1	360.347	1.828	50	30		FDEAML
C#Cc1cccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000057116864	522004774	/nfs/dbraw/zinc/00/47/74/522004774.db2.gz	UDXQWHNMCQJXIV-UHFFFAOYSA-N	-2	1	359.359	1.938	50	30		FDEAML
C=CCN1C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000009010104	518495401	/nfs/dbraw/zinc/49/54/01/518495401.db2.gz	YIAZGAWIKPYTSV-MDWZMJQESA-N	-2	1	369.402	1.950	50	30		FDEAML
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c1	ZINC000023763629	211396793	/nfs/dbraw/zinc/39/67/93/211396793.db2.gz	UCXUIFNUIAXKNN-UHFFFAOYSA-N	-2	1	373.390	1.564	50	30		FDEAML
N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)c1	ZINC000023990354	518972345	/nfs/dbraw/zinc/97/23/45/518972345.db2.gz	QWNOADSXHLLLTD-UHFFFAOYSA-N	-2	1	359.363	1.173	50	30		FDEAML
O=C([O-])c1cc(Br)ccc1N/N=C1/C(=O)[N-]C(=S)NC1=O	ZINC000016996459	220200907	/nfs/dbraw/zinc/20/09/07/220200907.db2.gz	CFEQTIWNFYFQHI-UHFFFAOYSA-N	-2	1	371.172	1.286	50	30		FDEAML
O=C([O-])c1cc(Br)ccc1N/N=C1\C(=O)[N-]C(=S)NC1=O	ZINC000016996459	220200909	/nfs/dbraw/zinc/20/09/09/220200909.db2.gz	CFEQTIWNFYFQHI-UHFFFAOYSA-N	-2	1	371.172	1.286	50	30		FDEAML
CCCCCCCCc1c([O-])nc(-n2[n-]c(C)c(CCO)c2=O)[nH]c1=O	ZINC000100548185	222247223	/nfs/dbraw/zinc/24/72/23/222247223.db2.gz	GPJUPHDBKRDCHW-UHFFFAOYSA-N	-2	1	364.446	1.701	50	30		FDEAML
CC(=Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1c([O-])nc([O-])sc1=O	ZINC000253534726	571318784	/nfs/dbraw/zinc/31/87/84/571318784.db2.gz	LSLWRCLVHXRVJP-UHFFFAOYSA-N	-2	1	372.406	1.853	50	30		FDEAML
Cc1ccc(S(=O)([O-])=NC(=O)[N-]c2nsnc(Cl)c2=O)cc1	ZINC000096580335	525160784	/nfs/dbraw/zinc/16/07/84/525160784.db2.gz	CKZHBWDXQRGAEA-UHFFFAOYSA-N	-2	1	360.804	1.575	50	30		FDEAML
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002988833	518255629	/nfs/dbraw/zinc/25/56/29/518255629.db2.gz	HVBGZJIQUKXTPI-QQMDNXKGSA-N	-2	1	360.391	1.351	50	30		FDEAML
Cn1c2ccccc2c([O-])c(C(=NCc2ccccc2)c2nnn[n-]2)c1=O	ZINC000103722185	222342477	/nfs/dbraw/zinc/34/24/77/222342477.db2.gz	ZKFUFKYHQTWKFX-CAPFRKAQSA-N	-2	1	360.377	1.795	50	30		FDEAML
Cn1c2ccccc2c([O-])c(C(=NCc2ccccc2)c2nn[n-]n2)c1=O	ZINC000103722185	222342479	/nfs/dbraw/zinc/34/24/79/222342479.db2.gz	ZKFUFKYHQTWKFX-CAPFRKAQSA-N	-2	1	360.377	1.795	50	30		FDEAML
CCCCNC(=O)N=S(=O)([O-])c1c2ccccc2n(C)c1C(=O)[O-]	ZINC000071770029	221374290	/nfs/dbraw/zinc/37/42/90/221374290.db2.gz	IAVSQWKWGYHOIN-UHFFFAOYSA-N	-2	1	353.400	1.869	50	30		FDEAML
CCCCNC([O-])=NS(=O)(=O)c1c2ccccc2n(C)c1C(=O)[O-]	ZINC000071770029	221374291	/nfs/dbraw/zinc/37/42/91/221374291.db2.gz	IAVSQWKWGYHOIN-UHFFFAOYSA-N	-2	1	353.400	1.869	50	30		FDEAML
NC1=NN(c2ccccc2)C(=O)C1=N[N-]c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000254633038	1011521806	/nfs/dbraw/zinc/52/18/06/1011521806.db2.gz	WCUVUDBYHWMKJK-UHFFFAOYSA-N	-2	1	368.309	1.380	50	30		FDEAML
Cn1c2ccccc2c([O-])c(C(=NCc2ccccc2)c2nnn[n-]2)c1=O	ZINC000103977386	570855057	/nfs/dbraw/zinc/85/50/57/570855057.db2.gz	ZKFUFKYHQTWKFX-SILNSSARSA-N	-2	1	360.377	1.795	50	30		FDEAML
Cn1c2ccccc2c([O-])c(C(=NCc2ccccc2)c2nn[n-]n2)c1=O	ZINC000103977386	570855059	/nfs/dbraw/zinc/85/50/59/570855059.db2.gz	ZKFUFKYHQTWKFX-SILNSSARSA-N	-2	1	360.377	1.795	50	30		FDEAML
NC1=NN(c2ccccc2)C(=O)C1=N[N-]c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000006142588	518363734	/nfs/dbraw/zinc/36/37/34/518363734.db2.gz	WCUVUDBYHWMKJK-UYRXBGFRSA-N	-2	1	368.309	1.380	50	30		FDEAML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cc1	ZINC000023763166	518965567	/nfs/dbraw/zinc/96/55/67/518965567.db2.gz	NPJBVBZQHDBFQK-UHFFFAOYSA-N	-2	1	373.390	1.564	50	30		FDEAML