smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(CCO)c2c(=O)n(C)c1=O	ZINC000005226256	570517558	/nfs/dbraw/zinc/51/75/58/570517558.db2.gz	KERRDMUMOLTXIG-RQZCQDPDSA-N	0	1	387.356	-0.220	50	30	biogenic	GBEAMN
COc1ccc(O)c(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)c1	ZINC000005226307	570431894	/nfs/dbraw/zinc/43/18/94/570431894.db2.gz	IAMAOVMEODYCLF-GIJQJNRQSA-N	0	1	388.384	-0.414	50	30	biogenic	GBEAMN
Cn1c2nc(NN=Cc3ccccc3Cl)n(C[C@H](O)CO)c2c(=O)[nH]c1=O	ZINC000005358168	570435043	/nfs/dbraw/zinc/43/50/43/570435043.db2.gz	WLTGKQGZNNYBCX-UTUJXRGNSA-N	0	1	392.803	-0.124	50	30		GBEAMN
Cn1c2nc(NN=Cc3ccccc3Cl)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O	ZINC000005358174	570435184	/nfs/dbraw/zinc/43/51/84/570435184.db2.gz	WLTGKQGZNNYBCX-KNSSQWPOSA-N	0	1	392.803	-0.124	50	30		GBEAMN
O=C1NC(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000006017155	570464403	/nfs/dbraw/zinc/46/44/03/570464403.db2.gz	AWYYCRBQSJWMQB-UHFFFAOYSA-N	0	1	397.438	-0.153	50	30		GBEAMN
Nc1ncnc2c1nc(N=NCc1cccs1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000008636784	570536052	/nfs/dbraw/zinc/53/60/52/570536052.db2.gz	YUVTUYJOQQZKEH-KKTKZPFDSA-N	0	1	391.413	-0.473	50	30		GBEAMN
Nc1ncnc2c1nc(N=NCc1ccco1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000008637257	570535913	/nfs/dbraw/zinc/53/59/13/570535913.db2.gz	ZXYMWJFGLVDXDC-KKTKZPFDSA-N	0	1	375.345	-0.941	50	30		GBEAMN
O=C1NC(=S)NC(=O)C1=NNc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009090390	209248000	/nfs/dbraw/zinc/24/80/00/209248000.db2.gz	AIUUDBRPCHCOTG-UHFFFAOYSA-N	0	1	397.438	-0.153	50	30		GBEAMN
Nc1ncnc2c1nc(N=NCc1ccco1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000009271721	527575951	/nfs/dbraw/zinc/57/59/51/527575951.db2.gz	ZXYMWJFGLVDXDC-YSSHQLGOSA-N	0	1	375.345	-0.941	50	30		GBEAMN
Nc1ncnc2c1nc(NN=Cc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000009271779	527576497	/nfs/dbraw/zinc/57/64/97/527576497.db2.gz	BYHXYKVPYGWHQF-XHSUYSGMSA-N	0	1	385.384	-0.534	50	30	biogenic	GBEAMN
COc1cccc(C=NNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](C)O)c1O	ZINC000010272085	525772971	/nfs/dbraw/zinc/77/29/71/525772971.db2.gz	CJQCVQBXARZSMI-LLADZKGESA-N	0	1	388.384	-0.036	50	30		GBEAMN
COc1cccc(C=NNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](C)O)c1O	ZINC000010272086	525771868	/nfs/dbraw/zinc/77/18/68/525771868.db2.gz	CJQCVQBXARZSMI-NKXMEUTISA-N	0	1	388.384	-0.036	50	30		GBEAMN
C=CCN1C(=O)NC(=O)C(=C(C)NCCN2CCN(C(=S)NC)CC2)C1=O	ZINC000020292421	570283222	/nfs/dbraw/zinc/28/32/22/570283222.db2.gz	MQFMDMFAHRKLGH-OUKQBFOZSA-N	0	1	394.501	-0.764	50	30		GBEAMN
C=CCN1C(=O)NC(=O)C(=C(CC)NCCN2CCN(C(C)=O)CC2)C1=O	ZINC000020332200	209176527	/nfs/dbraw/zinc/17/65/27/209176527.db2.gz	GWFXWIKZULBXLR-CCEZHUSRSA-N	0	1	377.445	-0.331	50	30		GBEAMN
Cn1c(NCCCN2CCN(c3ncccn3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000023888340	570334500	/nfs/dbraw/zinc/33/45/00/570334500.db2.gz	UCSROLFIDXTGOL-UHFFFAOYSA-N	0	1	384.444	-0.630	50	30		GBEAMN
Nc1ncnc2c1nc(N=NCc1ccco1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000252487627	570969800	/nfs/dbraw/zinc/96/98/00/570969800.db2.gz	ZXYMWJFGLVDXDC-IDTAVKCVSA-N	0	1	375.345	-0.941	50	30	biogenic	GBEAMN
COc1ccc(O)c(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)c1	ZINC000252610337	571009453	/nfs/dbraw/zinc/00/94/53/571009453.db2.gz	IAMAOVMEODYCLF-UHFFFAOYSA-N	0	1	388.384	-0.414	50	30		GBEAMN