smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(Sc2nc3c([n-]2)n(C)c(=O)n(C)c3=O)nnc1-c1cccnc1	ZINC000020427983	519260057	/nfs/dbraw/zinc/26/00/57/519260057.db2.gz	SBGYNGHVQPRQEQ-UHFFFAOYSA-N	-1	3	396.436	0.951	40	30		GCEBHM
O=C(c1[n-]n(-c2ccccc2)c(=O)c1NNc1ccccc1[N+](=O)[O-])[C@H](O)CO	ZINC000016488455	570926003	/nfs/dbraw/zinc/92/60/03/570926003.db2.gz	IWCFLPVQGDNTDH-IOXXGGNPSA-N	-1	3	399.363	0.480	40	30		GCEBHM
COc1cc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1[O-]	ZINC000091690394	211202653	/nfs/dbraw/zinc/20/26/53/211202653.db2.gz	DLUCHTPPMXJBEG-UHFFFAOYSA-N	-1	3	383.364	0.476	40	30		GCEBHM
O=C(c1[n-]n(-c2ccccc2)c(=O)c1NNc1ccccc1[N+](=O)[O-])[C@H](O)CO	ZINC000016488447	570925928	/nfs/dbraw/zinc/92/59/28/570925928.db2.gz	IWCFLPVQGDNTDH-FOZGOHDBSA-N	-1	3	399.363	0.480	40	30		GCEBHM
O=C(c1[n-]n(-c2ccccc2)c(=O)c1NNc1ccccc1[N+](=O)[O-])[C@@H](O)CO	ZINC000016488450	570926052	/nfs/dbraw/zinc/92/60/52/570926052.db2.gz	IWCFLPVQGDNTDH-CJVGJLNUSA-N	-1	3	399.363	0.480	40	30		GCEBHM
CNC(=O)N([O-])[C@@H]1N(/N=C2\CCCc3c2no[n+]3[O-])C(=S)SC1(C)C	ZINC000015134466	530138915	/nfs/dbraw/zinc/13/89/15/530138915.db2.gz	FHKUGWKPAKBREV-XVBMGZJVSA-N	-1	3	386.459	0.817	40	30		GCEBHM
O=C(c1[n-]n(-c2ccccc2)c(=O)c1NNc1ccccc1[N+](=O)[O-])[C@@H](O)CO	ZINC000016488461	570925913	/nfs/dbraw/zinc/92/59/13/570925913.db2.gz	IWCFLPVQGDNTDH-ZFTDJGEASA-N	-1	3	399.363	0.480	40	30		GCEBHM
CNC(=O)N([O-])[C@H]1N(/N=C2\CCCc3c2no[n+]3[O-])C(=S)SC1(C)C	ZINC000015134468	530138909	/nfs/dbraw/zinc/13/89/09/530138909.db2.gz	FHKUGWKPAKBREV-MIJYTDESSA-N	-1	3	386.459	0.817	40	30		GCEBHM
COc1cc(C)c(S(=O)(=O)N=C(N)NCCC[C@@H](N)C(=O)[O-])c(C)c1C	ZINC000002555111	570290588	/nfs/dbraw/zinc/29/05/88/570290588.db2.gz	FUSAEZSSVDNYPO-GFCCVEGCSA-N	-1	3	386.474	0.406	40	30		GCEBHM