smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)N(C)[C@]2(O)c3ccccc3C(=NNC(=N)N)[C@]12O	ZINC000071928735	282646961	/nfs/dbraw/zinc/64/69/61/282646961.db2.gz	XNRCEXRQHOPNNB-PQQGUCMVSA-N	0	3	304.310	-1.491	50	30		DAEAHN
CC(C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCC(=O)N[O-]	ZINC000004507558	181117555	/nfs/dbraw/zinc/11/75/55/181117555.db2.gz	WFURCOXZZPMXOC-NXEZZACHSA-N	0	3	300.359	-1.109	50	30		DAEAHN
CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[O-]	ZINC000004507552	181117604	/nfs/dbraw/zinc/11/76/04/181117604.db2.gz	WFURCOXZZPMXOC-UWVGGRQHSA-N	0	3	300.359	-1.109	50	30		DAEAHN
CN(C)C[C@@H](O)CN1CCN(c2ncc(C#N)c(N)n2)CC1	ZINC000670437289	545833229	/nfs/dbraw/zinc/83/32/29/545833229.db2.gz	OCPMKSWBKFLACC-GFCCVEGCSA-N	0	3	305.386	-1.195	50	30		DAEAHN
CN1C(=O)N(C)[C@]2(O)C(=NNC(=N)N)c3ccccc3[C@]12O	ZINC000018116967	373636151	/nfs/dbraw/zinc/63/61/51/373636151.db2.gz	XNRCEXRQHOPNNB-OEYQNCTESA-N	0	3	304.310	-1.282	50	30		DAEAHN
CN(C)C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1	ZINC000069665770	373733089	/nfs/dbraw/zinc/73/30/89/373733089.db2.gz	KOBXKFRVOLCBKF-JTQLQIEISA-N	0	3	307.354	-1.278	50	30		DAEAHN
CN1C(=O)N(C)[C@]2(O)C(=NNC(=N)N)c3ccccc3[C@@]12O	ZINC000020806211	273866061	/nfs/dbraw/zinc/86/60/61/273866061.db2.gz	XNRCEXRQHOPNNB-CSBKXELUSA-N	0	3	304.310	-1.491	50	30		DAEAHN
CC(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCC(=O)N[O-]	ZINC000004507556	181117564	/nfs/dbraw/zinc/11/75/64/181117564.db2.gz	WFURCOXZZPMXOC-ZJUUUORDSA-N	0	3	300.359	-1.109	50	30		DAEAHN
CN1C(=O)N(C)[C@@]2(O)C(=NNC(=N)N)c3ccccc3[C@]12O	ZINC000018163121	373637692	/nfs/dbraw/zinc/63/76/92/373637692.db2.gz	XNRCEXRQHOPNNB-SUNVMROUSA-N	0	3	304.310	-1.282	50	30		DAEAHN
CN(C)c1ccc(/C=N/[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000100254250	409340661	/nfs/dbraw/zinc/34/06/61/409340661.db2.gz	HJAWJHKKIRRCDA-AIGFSCLZSA-N	0	3	310.350	-1.029	50	30	biogenic	DAEAHN
CN1CCN(CCCNC(=O)C(=O)Nc2n[nH]cc2C#N)CC1	ZINC000020713749	182243294	/nfs/dbraw/zinc/24/32/94/182243294.db2.gz	SLVUNYPLOWLTDB-UHFFFAOYSA-N	0	3	319.369	-1.026	50	30		DAEAHN
CN(C)c1ccc(/C=N/[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000245253555	545765818	/nfs/dbraw/zinc/76/58/18/545765818.db2.gz	HJAWJHKKIRRCDA-GHEXVWDQSA-N	0	3	310.350	-1.029	50	30		DAEAHN
CN(C)C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1	ZINC000069665767	282128353	/nfs/dbraw/zinc/12/83/53/282128353.db2.gz	KOBXKFRVOLCBKF-SNVBAGLBSA-N	0	3	307.354	-1.278	50	30		DAEAHN
CN(C)C[C@H](O)CN1CCN(c2ncc(C#N)c(N)n2)CC1	ZINC000670437290	545833489	/nfs/dbraw/zinc/83/34/89/545833489.db2.gz	OCPMKSWBKFLACC-LBPRGKRZSA-N	0	3	305.386	-1.195	50	30		DAEAHN
CN(C)c1ccc(/C=N/[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000245253557	545766121	/nfs/dbraw/zinc/76/61/21/545766121.db2.gz	HJAWJHKKIRRCDA-JRCOVWTOSA-N	0	3	310.350	-1.029	50	30		DAEAHN
CC(C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[O-]	ZINC000004507553	181117633	/nfs/dbraw/zinc/11/76/33/181117633.db2.gz	WFURCOXZZPMXOC-VHSXEESVSA-N	0	3	300.359	-1.109	50	30		DAEAHN
CN(C)c1ccc(/C=N/[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000245253556	545765287	/nfs/dbraw/zinc/76/52/87/545765287.db2.gz	HJAWJHKKIRRCDA-GMSUJVBKSA-N	0	3	310.350	-1.029	50	30		DAEAHN
CN(C)c1ccc(/C=N/[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000245253558	545765701	/nfs/dbraw/zinc/76/57/01/545765701.db2.gz	HJAWJHKKIRRCDA-VSZINZMISA-N	0	3	310.350	-1.029	50	30		DAEAHN