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)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4cccc([O-])c4oc23)O1	ZINC000014613752	563014662	/nfs/dbraw/zinc/01/46/62/563014662.db2.gz	RBHZFZSVMMGEQW-NIWNRFCXSA-N	-1	1	446.543	6.995	1	5		IKBFMM
Cc1c(=O)[n-]c(SC/C=C/c2ccc([N+](=O)[O-])cc2)nc1[C@@H](C)c1c(F)cccc1F	ZINC000028862967	563067034	/nfs/dbraw/zinc/06/70/34/563067034.db2.gz	ROYYAVFOWVQQGV-IHVVCDCBSA-N	-1	1	443.475	5.222	1	5		IKBFMM
CC1(C)CC=C[C@]2(C)Oc3c(O)cc4oc5c(oc6cc([O-])cc(O)c6c5=O)c4c3C[C@H]12	ZINC000043017814	563116919	/nfs/dbraw/zinc/11/69/19/563116919.db2.gz	WYRBYPPKPYWQQK-NSYGIPOTSA-N	-1	1	434.444	5.105	1	5		IKBFMM
COc1ccc2cc(S(=O)(=O)[N-]c3ccc(-c4cccc([N+](=O)[O-])c4)cc3)ccc2c1	ZINC000082156735	563173663	/nfs/dbraw/zinc/17/36/63/563173663.db2.gz	YTJJORUJPJMPJQ-UHFFFAOYSA-N	-1	1	434.473	5.224	1	5		IKBFMM
CC(C)=CCC/C(C)=C/CC[C@]1(C)C=Cc2c(cc(O)c3c(=O)c4cccc([O-])c4oc23)O1	ZINC000014613751	291396289	/nfs/dbraw/zinc/39/62/89/291396289.db2.gz	RBHZFZSVMMGEQW-QXTIMZJGSA-N	-1	1	446.543	6.995	1	5	biogenic,in-vitro	IKBFMM
Cc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc1Cc1c(Cl)cccc1Cl	ZINC000013677558	563000638	/nfs/dbraw/zinc/00/06/38/563000638.db2.gz	JKHDNKSXCVLYMF-UHFFFAOYSA-N	-1	1	436.320	5.176	1	5		IKBFMM
Cc1c(=O)[n-]c(SC/C=C/c2ccc([N+](=O)[O-])cc2)nc1[C@H](C)c1c(F)cccc1F	ZINC000028862965	563067056	/nfs/dbraw/zinc/06/70/56/563067056.db2.gz	ROYYAVFOWVQQGV-MUBLQREKSA-N	-1	1	443.475	5.222	1	5		IKBFMM
N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2[O-])cc1	ZINC000026167632	563029313	/nfs/dbraw/zinc/02/93/13/563029313.db2.gz	JHJNAYDSHWDOOX-UHFFFAOYSA-N	-1	1	449.308	5.019	1	5		IKBFMM
CC(C)=CCc1cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c2c1OC(C)(C)C=C2	ZINC000015148359	291396920	/nfs/dbraw/zinc/39/69/20/291396920.db2.gz	HCLKADQNTHGFRD-UHFFFAOYSA-N	-1	1	446.543	6.559	1	5	biogenic,in-vitro	IKBFMM