smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@@H]2C(=CN=Nc2ccccc2)NNc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004726368	552473028	/nfs/dbraw/zinc/47/30/28/552473028.db2.gz	DFQOBQFEEIHISS-WIHRNRLISA-N	0	1	502.524	-0.503	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1Br	ZINC000016226553	553557160	/nfs/dbraw/zinc/55/71/60/553557160.db2.gz	BYLAFJIXBWBRDI-VDTYJOMKSA-N	0	1	510.305	-0.470	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1Br	ZINC000016226555	553557167	/nfs/dbraw/zinc/55/71/67/553557167.db2.gz	BYLAFJIXBWBRDI-YGFHNYTESA-N	0	1	510.305	-0.470	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Br	ZINC000016226557	553557200	/nfs/dbraw/zinc/55/72/00/553557200.db2.gz	BYLAFJIXBWBRDI-STOVFZEISA-N	0	1	510.305	-0.470	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1Br	ZINC000035183222	554041024	/nfs/dbraw/zinc/04/10/24/554041024.db2.gz	BYLAFJIXBWBRDI-VGKAJPLXSA-N	0	1	510.305	-0.470	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1Br	ZINC000035183223	554040995	/nfs/dbraw/zinc/04/09/95/554040995.db2.gz	BYLAFJIXBWBRDI-BSYMZFDZSA-N	0	1	510.305	-0.470	40	30		KBEBMN
CCOc1ccc(Br)cc1C=NNc1nc2c(nc(N)[nH]c2=O)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000100928014	554525267	/nfs/dbraw/zinc/52/52/67/554525267.db2.gz	KNMAOJXCXFTEBS-BOLDKVPESA-N	0	1	524.332	-0.080	40	30		KBEBMN
CCOc1ccc(Br)cc1C=NNc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000100928015	554525331	/nfs/dbraw/zinc/52/53/31/554525331.db2.gz	KNMAOJXCXFTEBS-KYFREVNRSA-N	0	1	524.332	-0.080	40	30		KBEBMN
CCOc1ccc(Br)cc1C=NNc1nc2c(nc(N)[nH]c2=O)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000100928016	554525389	/nfs/dbraw/zinc/52/53/89/554525389.db2.gz	KNMAOJXCXFTEBS-XTRHNGARSA-N	0	1	524.332	-0.080	40	30		KBEBMN
CCOc1ccc(Br)cc1C=NNc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000100928017	554525310	/nfs/dbraw/zinc/52/53/10/554525310.db2.gz	KNMAOJXCXFTEBS-ANOYREHASA-N	0	1	524.332	-0.080	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000100928020	554525273	/nfs/dbraw/zinc/52/52/73/554525273.db2.gz	OQCNZMOWNDHSOZ-HRHXGESTSA-N	0	1	540.331	-0.461	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000100928021	554525319	/nfs/dbraw/zinc/52/53/19/554525319.db2.gz	OQCNZMOWNDHSOZ-BPCXSFBWSA-N	0	1	540.331	-0.461	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000100928022	554525366	/nfs/dbraw/zinc/52/53/66/554525366.db2.gz	OQCNZMOWNDHSOZ-GEYFKMQXSA-N	0	1	540.331	-0.461	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000100928024	554525343	/nfs/dbraw/zinc/52/53/43/554525343.db2.gz	OQCNZMOWNDHSOZ-DCEWSRMLSA-N	0	1	540.331	-0.461	40	30		KBEBMN
OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@@H]2C(=CN=Nc2ccccc2)NNc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000104378687	571379779	/nfs/dbraw/zinc/37/97/79/571379779.db2.gz	DFQOBQFEEIHISS-WMHAGKSRSA-N	0	1	502.524	-0.503	40	30		KBEBMN
OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@@H]2C(=CN=Nc2ccccc2)NNc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000104378690	571379762	/nfs/dbraw/zinc/37/97/62/571379762.db2.gz	DFQOBQFEEIHISS-UDNMBNMYSA-N	0	1	502.524	-0.503	40	30		KBEBMN
OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@@H]2C(=CN=Nc2ccccc2)NNc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000104378692	571379735	/nfs/dbraw/zinc/37/97/35/571379735.db2.gz	DFQOBQFEEIHISS-FXSKVHNCSA-N	0	1	502.524	-0.503	40	30		KBEBMN
CSCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000138733401	571451866	/nfs/dbraw/zinc/45/18/66/571451866.db2.gz	BVYRJPOXHJPIBE-LWSSLDFYSA-N	0	1	615.757	-0.150	40	30		KBEBMN
CCOc1ccc(Br)cc1C=NNc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000227240290	572152085	/nfs/dbraw/zinc/15/20/85/572152085.db2.gz	KNMAOJXCXFTEBS-LNRJIUDZSA-N	0	1	524.332	-0.080	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000227240322	572152415	/nfs/dbraw/zinc/15/24/15/572152415.db2.gz	OQCNZMOWNDHSOZ-SQRINIEYSA-N	0	1	540.331	-0.461	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1Br	ZINC000257346753	572320466	/nfs/dbraw/zinc/32/04/66/572320466.db2.gz	BYLAFJIXBWBRDI-ATKZFAMSSA-N	0	1	510.305	-0.057	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Br	ZINC000257346754	572320453	/nfs/dbraw/zinc/32/04/53/572320453.db2.gz	BYLAFJIXBWBRDI-KFFALWPESA-N	0	1	510.305	-0.057	40	30		KBEBMN
COc1ccc(C=NNc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Br	ZINC000257346755	572320489	/nfs/dbraw/zinc/32/04/89/572320489.db2.gz	BYLAFJIXBWBRDI-YYLZNYTKSA-N	0	1	510.305	-0.057	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1OC	ZINC000257346790	572320459	/nfs/dbraw/zinc/32/04/59/572320459.db2.gz	OQCNZMOWNDHSOZ-FIICNIFDSA-N	0	1	540.331	-0.049	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000257346791	572320493	/nfs/dbraw/zinc/32/04/93/572320493.db2.gz	OQCNZMOWNDHSOZ-PLCCKCANSA-N	0	1	540.331	-0.049	40	30		KBEBMN
COc1cc(Br)c(CN=Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1OC	ZINC000257346792	572320451	/nfs/dbraw/zinc/32/04/51/572320451.db2.gz	OQCNZMOWNDHSOZ-RYYPDEQHSA-N	0	1	540.331	-0.049	40	30		KBEBMN