smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1nc(NN=Cc1ccccc1[O-])n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000008818327	571121265	/nfs/dbraw/zinc/12/12/65/571121265.db2.gz	NVRAPKHZDCSSSJ-KFFALWPESA-N	-1	3	401.383	-0.828	50	30	biogenic	HBEAHM
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000012850871	569010445	/nfs/dbraw/zinc/01/04/45/569010445.db2.gz	ARHDPGHQGHNWQZ-AWEZNQCLSA-N	-1	3	405.436	-0.621	50	30		HBEAHM
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000012850877	569010414	/nfs/dbraw/zinc/01/04/14/569010414.db2.gz	ARHDPGHQGHNWQZ-CQSZACIVSA-N	-1	3	405.436	-0.621	50	30		HBEAHM
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000014235562	559160912	/nfs/dbraw/zinc/16/09/12/559160912.db2.gz	UAPKSBMHOHOREG-ZDUSSCGKSA-N	-1	3	405.436	-0.621	50	30		HBEAHM
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1	ZINC000014235565	559160946	/nfs/dbraw/zinc/16/09/46/559160946.db2.gz	UAPKSBMHOHOREG-CYBMUJFWSA-N	-1	3	405.436	-0.621	50	30		HBEAHM
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c3nc[n-]c4=O)[C@H](O)[C@@H]2O)cc1	ZINC000025782047	525623808	/nfs/dbraw/zinc/62/38/08/525623808.db2.gz	JVBTZPQWMVYLJA-LSCFUAHRSA-N	-1	3	422.419	-0.547	50	30		HBEAHM
COC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000041107668	523896784	/nfs/dbraw/zinc/89/67/84/523896784.db2.gz	JPMVHQYWXUWZHL-JTQLQIEISA-N	-1	3	421.407	-0.470	50	30		HBEAHM
COC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000041107670	523572283	/nfs/dbraw/zinc/57/22/83/523572283.db2.gz	JPMVHQYWXUWZHL-SNVBAGLBSA-N	-1	3	421.407	-0.470	50	30		HBEAHM
O=C(C([O-])=C(O)[C@@H](O)CO)[C@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000102313836	569363493	/nfs/dbraw/zinc/36/34/93/569363493.db2.gz	JERMDAVQYBUDDH-UXDWOICNSA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@H](O)C(CNNc1ccccc1)NNc1ccccc1)[C@@H](O)CO	ZINC000102313836	569363492	/nfs/dbraw/zinc/36/34/92/569363492.db2.gz	JERMDAVQYBUDDH-UXDWOICNSA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@@H](O)CO)[C@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000257347492	571045704	/nfs/dbraw/zinc/04/57/04/571045704.db2.gz	JERMDAVQYBUDDH-ADBPMPSASA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@H](O)C(CNNc1ccccc1)NNc1ccccc1)[C@@H](O)CO	ZINC000257347492	571045702	/nfs/dbraw/zinc/04/57/02/571045702.db2.gz	JERMDAVQYBUDDH-ADBPMPSASA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@@H](O)CO)[C@@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000257347493	571045711	/nfs/dbraw/zinc/04/57/11/571045711.db2.gz	JERMDAVQYBUDDH-IOKIQMMNSA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@@H](O)C(CNNc1ccccc1)NNc1ccccc1)[C@@H](O)CO	ZINC000257347493	571045709	/nfs/dbraw/zinc/04/57/09/571045709.db2.gz	JERMDAVQYBUDDH-IOKIQMMNSA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@@H](O)CO)[C@@H](O)C(CNNc1ccccc1)NNc1ccccc1	ZINC000257347494	571045697	/nfs/dbraw/zinc/04/56/97/571045697.db2.gz	JERMDAVQYBUDDH-QTFRQSNDSA-N	-1	3	418.450	-0.651	50	30		HBEAHM
O=C(C([O-])=C(O)[C@@H](O)C(CNNc1ccccc1)NNc1ccccc1)[C@@H](O)CO	ZINC000257347494	571045696	/nfs/dbraw/zinc/04/56/96/571045696.db2.gz	JERMDAVQYBUDDH-QTFRQSNDSA-N	-1	3	418.450	-0.651	50	30		HBEAHM