smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](Cc1cnc[nH]1)N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000019118071	471977080	/nfs/dbraw/zinc/97/70/80/471977080.db2.gz	AIDQXOORIDVFHA-DNIHCHEOSA-N	-2	1	328.155	2.537	40	30		EFEBML
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217503594	241255864	/nfs/dbraw/zinc/25/58/64/241255864.db2.gz	ZHHAJFDVGRAANV-UHFFFAOYSA-N	-2	1	332.381	2.784	40	30		EFEBML
O=C([O-])[C@@H](Cc1cnc[nH]1)N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000019118067	212000680	/nfs/dbraw/zinc/00/06/80/212000680.db2.gz	AIDQXOORIDVFHA-FYEKIPRVSA-N	-2	1	328.155	2.537	40	30		EFEBML
COc1ccccc1CN[C@H](c1ccc(C#N)cc1)P(=O)([O-])[O-]	ZINC000012997502	471811767	/nfs/dbraw/zinc/81/17/67/471811767.db2.gz	CGVLQZFNBMHLPY-INIZCTEOSA-N	-2	1	332.296	2.533	40	30		EFEBML
C[C@@H](Oc1ccc(/C=N/Cc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000059302807	472623728	/nfs/dbraw/zinc/62/37/28/472623728.db2.gz	DROGCGHPBRIBQC-ZGXHQARYSA-N	-2	1	327.336	2.856	40	30		EFEBML
C[C@H](Oc1ccc(/C=N/Cc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000059302805	472624694	/nfs/dbraw/zinc/62/46/94/472624694.db2.gz	DROGCGHPBRIBQC-MKFNJMOCSA-N	-2	1	327.336	2.856	40	30		EFEBML
COc1ccccc1CN[C@@H](c1ccc(C#N)cc1)P(=O)([O-])[O-]	ZINC000012997500	471811131	/nfs/dbraw/zinc/81/11/31/471811131.db2.gz	CGVLQZFNBMHLPY-MRXNPFEDSA-N	-2	1	332.296	2.533	40	30		EFEBML
O=C1C(=O)C(C2=C([O-])c3ccccc3C(=O)C2=O)=C([O-])c2ccccc21	ZINC000100004914	472524327	/nfs/dbraw/zinc/52/43/27/472524327.db2.gz	ISTBADQWZSTTOA-UHFFFAOYSA-N	-2	1	346.294	2.769	40	30		EFEBML
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1	ZINC000134618569	310644535	/nfs/dbraw/zinc/64/45/35/310644535.db2.gz	JVQXIPWARJQMKG-UHFFFAOYSA-N	-2	1	344.392	2.766	40	30		EFEBML