smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1O)[C@@H](O)C2=O	ZINC000039066223	518645364	/nfs/dbraw/zinc/64/53/64/518645364.db2.gz	ZJRPDIPXWGIHRB-HVVPNVAPSA-N	-1	3	440.492	4.277	10	30	biogenic	IIEEHM
Cn1c2ccccc2c(/C=N/[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1-c1ccccc1	ZINC000013138230	527109067	/nfs/dbraw/zinc/10/90/67/527109067.db2.gz	UNONBNKGUHVMCY-HZHRSRAPSA-N	-1	3	434.477	4.066	10	30		IIEEHM
C=C(C)[C@@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1O)[C@@H](O)C2=O	ZINC000039066221	518641859	/nfs/dbraw/zinc/64/18/59/518641859.db2.gz	ZJRPDIPXWGIHRB-KBOJRLNKSA-N	-1	3	440.492	4.277	10	30	biogenic	IIEEHM
CC(C)CCOc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2nc3ccccc3n2cc1C#N	ZINC000048524431	569257949	/nfs/dbraw/zinc/25/79/49/569257949.db2.gz	PQAPKHRYOOBFIE-UHFFFAOYSA-N	-1	3	444.451	4.340	10	30		IIEEHM
CCOc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N/N=C(/C)c3ccc(Cl)cc3)S2)cc1	ZINC000035385848	521111292	/nfs/dbraw/zinc/11/12/92/521111292.db2.gz	DKOVEWBVKAMIDN-BMLZXRGUSA-N	-1	3	444.944	4.079	10	30		IIEEHM
CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCC(=O)c3cccc(OC)c3)[n-]2)cc1	ZINC000020608653	520882661	/nfs/dbraw/zinc/88/26/61/520882661.db2.gz	YHWLRTFFGMAXEB-OEAKJJBVSA-N	-1	3	438.557	4.081	10	30		IIEEHM
CCOc1ccc(S(=O)(=O)NC2=CC(=Nc3ccc([O-])cc3)C(=O)c3ccccc32)cc1	ZINC000008974366	562966438	/nfs/dbraw/zinc/96/64/38/562966438.db2.gz	CROXSUJZMYJLQH-XTCLZLMSSA-N	-1	3	448.500	4.161	10	30		IIEEHM
CCOc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N\N=C(\C)c3ccc(Cl)cc3)S2)cc1	ZINC000035385846	521103323	/nfs/dbraw/zinc/10/33/23/521103323.db2.gz	DKOVEWBVKAMIDN-GQMTYKABSA-N	-1	3	444.944	4.079	10	30		IIEEHM
CN(C)c1ccc(C=[NH+][N-]c2nnc(SCc3cccc(Br)c3)[n-]2)cc1	ZINC000020215652	556999182	/nfs/dbraw/zinc/99/91/82/556999182.db2.gz	AOJPRDOUODPJTB-RGVLZGJSSA-N	-1	3	431.363	4.372	10	30		IIEEHM
Cc1ccc(CN=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(N3CCCCC3)n2)cc1	ZINC000020357379	557011339	/nfs/dbraw/zinc/01/13/39/557011339.db2.gz	ARQPKIDMWIBRRN-HZHRSRAPSA-N	-1	3	432.488	4.268	10	30		IIEEHM
Cc1cc(C)n(C(=O)CSc2nnc(NN=Cc3cccc(Oc4ccccc4)c3)[n-]2)n1	ZINC000020352969	557009532	/nfs/dbraw/zinc/00/95/32/557009532.db2.gz	DKBQCEOJQSHCGH-YDZHTSKRSA-N	-1	3	447.524	4.289	10	30		IIEEHM
Cc1cc(C)n(C(=O)CSc2nnc([N-][NH+]=Cc3cccc(Oc4ccccc4)c3)[n-]2)n1	ZINC000020352969	557009534	/nfs/dbraw/zinc/00/95/34/557009534.db2.gz	DKBQCEOJQSHCGH-YDZHTSKRSA-N	-1	3	447.524	4.289	10	30		IIEEHM
CC(C)(C)C(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)=C([O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000103626762	557317072	/nfs/dbraw/zinc/31/70/72/557317072.db2.gz	YLJIJZLVEIFJJS-KIBLKLHPSA-N	-1	3	445.291	4.380	10	30		IIEEHM
CC(C)(C)C([O-])=C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103626762	557317075	/nfs/dbraw/zinc/31/70/75/557317075.db2.gz	YLJIJZLVEIFJJS-KIBLKLHPSA-N	-1	3	445.291	4.380	10	30		IIEEHM
CC(C)(C)C(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103626762	557317079	/nfs/dbraw/zinc/31/70/79/557317079.db2.gz	YLJIJZLVEIFJJS-KIBLKLHPSA-N	-1	3	445.291	4.380	10	30		IIEEHM