smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C([O-])C=CC1=NNc1ccccc1	ZINC000003861453	183267944	/nfs/dbraw/zinc/26/79/44/183267944.db2.gz	BPTKLSBRRJFNHJ-YPKPFQOOSA-N	-1	0	214.224	3.513	40	10		BHCBRM
Oc1cccc(/N=N/c2cccc(O)c2)c1	ZINC000013403691	183287513	/nfs/dbraw/zinc/28/75/13/183287513.db2.gz	KONUTRXTUUBGKS-BUHFOSPRSA-N	-1	0	214.224	3.513	40	10		BHCBRM
O=C([O-])C1=CC(=O)C=CC1=NNc1ccccc1	ZINC000017421107	342924846	/nfs/dbraw/zinc/92/48/46/342924846.db2.gz	CKWHWHUIUBKIER-PFONDFGASA-N	-1	0	242.234	3.506	40	10		BHCBRM
Cc1ccc(NN=C2C=CC([O-])=CC2=O)cc1	ZINC000018069312	178361407	/nfs/dbraw/zinc/36/14/07/178361407.db2.gz	RTJFQCHHZRVZAN-CCEZHUSRSA-N	-1	0	228.251	3.822	40	10		BHCBRM
O=C([O-])C1=CC=CC(=NNc2ccccc2)C1=O	ZINC000018209549	342934913	/nfs/dbraw/zinc/93/49/13/342934913.db2.gz	FHRKQIBIGIQUCC-CCEZHUSRSA-N	-1	0	242.234	3.506	40	10		BHCBRM
O=C([O-])C1=CC(=NNc2ccccc2)C=CC1=O	ZINC000100061734	385680756	/nfs/dbraw/zinc/68/07/56/385680756.db2.gz	JHDYSXXPQIFFJZ-PFONDFGASA-N	-1	0	242.234	3.506	40	10		BHCBRM
O=C([O-])c1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000103278224	384759293	/nfs/dbraw/zinc/75/92/93/384759293.db2.gz	HLVCZTOFOWHIJZ-PFONDFGASA-N	-1	0	242.234	3.506	40	10		BHCBRM
O=C([O-])C1=CC=CC(=NNc2ccccc2)C1=O	ZINC000104323102	384821509	/nfs/dbraw/zinc/82/15/09/384821509.db2.gz	FHRKQIBIGIQUCC-PFONDFGASA-N	-1	0	242.234	3.506	40	10		BHCBRM
Cc1ccc(NN=C2C=CC([O-])=CC2=O)cc1	ZINC000104378548	178360704	/nfs/dbraw/zinc/36/07/04/178360704.db2.gz	RTJFQCHHZRVZAN-PFONDFGASA-N	-1	0	228.251	3.822	40	10		BHCBRM