smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000766955610	939078309	/nfs/dbraw/zinc/07/83/09/939078309.db2.gz	YEOMAAZLDLMJSU-SECBINFHSA-N	-1	1	431.281	1.547	20	0		IDADMM
CCO[C@@H]1C[C@](NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)(C(=O)[O-])C1(C)C	ZINC000439707669	939193788	/nfs/dbraw/zinc/19/37/88/939193788.db2.gz	IKZIGVJYHPPEPG-GLEZIHRCSA-N	-1	1	431.375	1.101	20	0		IDADMM
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@@H](C)O1	ZINC000012557143	524866121	/nfs/dbraw/zinc/86/61/21/524866121.db2.gz	HSHUXKYOJCSPFH-CHWSQXEVSA-N	-1	1	430.486	1.906	20	0		IDADMM
Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)cc5c4C(=O)[N-]C5=O)CC[C@H]32)cs1	ZINC001164992574	722184939	/nfs/dbraw/zinc/18/49/39/722184939.db2.gz	XJHMZLXJEXKBHU-SJORKVTESA-N	-1	1	427.530	1.908	20	0		IDADMM
CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])CC3)CC1	ZINC001164794503	721522527	/nfs/dbraw/zinc/52/25/27/721522527.db2.gz	FBGNIYKCPOQXFO-UHFFFAOYSA-N	-1	1	441.870	1.337	20	0		IDADMM
Cc1nc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000766955800	939078407	/nfs/dbraw/zinc/07/84/07/939078407.db2.gz	YEOMAAZLDLMJSU-VIFPVBQESA-N	-1	1	431.281	1.547	20	0		IDADMM
COc1ccc([C@@H](NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)C(=O)[O-])cc1	ZINC000516328340	939243820	/nfs/dbraw/zinc/24/38/20/939243820.db2.gz	LGSXJDOODGCQHI-SNVBAGLBSA-N	-1	1	425.327	1.277	20	0		IDADMM
CN(C)S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)co1	ZINC001123371733	939821919	/nfs/dbraw/zinc/82/19/19/939821919.db2.gz	CMTHWMQKTIXFPV-FQEVSTJZSA-N	-1	1	435.502	1.379	20	0		IDADMM
CN1CCO[C@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)C[C@H]21	ZINC000471718003	719432470	/nfs/dbraw/zinc/43/24/70/719432470.db2.gz	RMKSWNMHEGDSKC-MOPGFXCFSA-N	-1	1	425.514	1.950	20	0		IDADMM
CN1CCO[C@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)C[C@@H]21	ZINC000471718004	719432634	/nfs/dbraw/zinc/43/26/34/719432634.db2.gz	RMKSWNMHEGDSKC-OALUTQOASA-N	-1	1	425.514	1.950	20	0		IDADMM
Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C)cc5c4C(=O)[N-]C5=O)CCO3)C2)cs1	ZINC001164922275	721831880	/nfs/dbraw/zinc/83/18/80/721831880.db2.gz	NYZJISDQILPRPF-NRFANRHFSA-N	-1	1	443.529	1.146	20	0		IDADMM
Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)cc5c4C(=O)[N-]C5=O)CC[C@@H]32)cs1	ZINC001164992571	722184951	/nfs/dbraw/zinc/18/49/51/722184951.db2.gz	XJHMZLXJEXKBHU-DLBZAZTESA-N	-1	1	427.530	1.908	20	0		IDADMM
Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)cc5c4C(=O)[N-]C5=O)CC[C@H]32)cs1	ZINC001164992572	722184977	/nfs/dbraw/zinc/18/49/77/722184977.db2.gz	XJHMZLXJEXKBHU-IAGOWNOFSA-N	-1	1	427.530	1.908	20	0		IDADMM
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@H](C)O1	ZINC000012557145	524865891	/nfs/dbraw/zinc/86/58/91/524865891.db2.gz	HSHUXKYOJCSPFH-BETUJISGSA-N	-1	1	430.486	1.906	20	0		IDADMM
CN1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)C[C@@H]21	ZINC000471718005	719433560	/nfs/dbraw/zinc/43/35/60/719433560.db2.gz	RMKSWNMHEGDSKC-RBUKOAKNSA-N	-1	1	425.514	1.950	20	0		IDADMM
CN1CCO[C@@H]2CN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)C[C@H]21	ZINC000471718006	719434075	/nfs/dbraw/zinc/43/40/75/719434075.db2.gz	RMKSWNMHEGDSKC-RTBURBONSA-N	-1	1	425.514	1.950	20	0		IDADMM
COc1ccc([C@H](NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)C(=O)[O-])cc1	ZINC000516328339	939243900	/nfs/dbraw/zinc/24/39/00/939243900.db2.gz	LGSXJDOODGCQHI-JTQLQIEISA-N	-1	1	425.327	1.277	20	0		IDADMM
CN(C)S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)co1	ZINC001123371734	939821679	/nfs/dbraw/zinc/82/16/79/939821679.db2.gz	CMTHWMQKTIXFPV-HXUWFJFHSA-N	-1	1	435.502	1.379	20	0		IDADMM
CCO[C@H]1C[C@](NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)(C(=O)[O-])C1(C)C	ZINC000439707471	939193735	/nfs/dbraw/zinc/19/37/35/939193735.db2.gz	IKZIGVJYHPPEPG-AYVTZFPOSA-N	-1	1	431.375	1.101	20	0		IDADMM
Cc1nc(CN2CCOC[C@]3(CN(c4nc(C)cc5c4C(=O)[N-]C5=O)CCO3)C2)cs1	ZINC001164922285	721831844	/nfs/dbraw/zinc/83/18/44/721831844.db2.gz	NYZJISDQILPRPF-OAQYLSRUSA-N	-1	1	443.529	1.146	20	0		IDADMM
CCO[C@H]1C[C@@](NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)(C(=O)[O-])C1(C)C	ZINC000439707670	939193810	/nfs/dbraw/zinc/19/38/10/939193810.db2.gz	IKZIGVJYHPPEPG-VXJOIVPMSA-N	-1	1	431.375	1.101	20	0		IDADMM
CCO[C@@H]1C[C@@](NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)(C(=O)[O-])C1(C)C	ZINC000439707427	939193235	/nfs/dbraw/zinc/19/32/35/939193235.db2.gz	IKZIGVJYHPPEPG-ANRSDYALSA-N	-1	1	431.375	1.101	20	0		IDADMM
C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@H](C)O1	ZINC000012557146	524532689	/nfs/dbraw/zinc/53/26/89/524532689.db2.gz	HSHUXKYOJCSPFH-STQMWFEESA-N	-1	1	430.486	1.906	20	0		IDADMM
COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1S(=O)(=O)Nc1ccc(C)cc1	ZINC000538513106	939279453	/nfs/dbraw/zinc/27/94/53/939279453.db2.gz	VHOWTGQGSKGSHS-HXUWFJFHSA-N	-1	1	434.470	1.778	20	0		IDADMM
COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1S(=O)(=O)Nc1ccc(C)cc1	ZINC000538513105	939279498	/nfs/dbraw/zinc/27/94/98/939279498.db2.gz	VHOWTGQGSKGSHS-FQEVSTJZSA-N	-1	1	434.470	1.778	20	0		IDADMM
Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)cc5c4C(=O)[N-]C5=O)CC[C@@H]32)cs1	ZINC001164992573	722184919	/nfs/dbraw/zinc/18/49/19/722184919.db2.gz	XJHMZLXJEXKBHU-IRXDYDNUSA-N	-1	1	427.530	1.908	20	0		IDADMM