smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCC[N@H+](Cc2c(=O)cc(O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124906	205307097	/nfs/dbraw/zinc/30/70/97/205307097.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@@H]1CCC[N@@H+](Cc2c(=O)cc(O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124906	205307102	/nfs/dbraw/zinc/30/71/02/205307102.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@@H]1CCC[N@H+](Cc2c(O)cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124906	205307104	/nfs/dbraw/zinc/30/71/04/205307104.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@@H]1CCC[N@@H+](Cc2c(O)cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124906	205307109	/nfs/dbraw/zinc/30/71/09/205307109.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@@H]1CCCC[N@@H+]1Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142522	205309587	/nfs/dbraw/zinc/30/95/87/205309587.db2.gz	RXMXCZDBFKUQIM-CYBMUJFWSA-N	1	2	381.428	3.951	1	10		GHCFLO
C[C@@H]1CCCC[N@H+]1Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142522	205309592	/nfs/dbraw/zinc/30/95/92/205309592.db2.gz	RXMXCZDBFKUQIM-CYBMUJFWSA-N	1	2	381.428	3.951	1	10		GHCFLO
C[C@H]1CCCC[N@@H+]1Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142523	205308004	/nfs/dbraw/zinc/30/80/04/205308004.db2.gz	RXMXCZDBFKUQIM-ZDUSSCGKSA-N	1	2	381.428	3.951	1	10		GHCFLO
C[C@H]1CCCC[N@H+]1Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000072142523	205308008	/nfs/dbraw/zinc/30/80/08/205308008.db2.gz	RXMXCZDBFKUQIM-ZDUSSCGKSA-N	1	2	381.428	3.951	1	10		GHCFLO
C[C@@H]1CCCC[N@@H+]1Cc1c(=O)cc(O)c2c(O)cc(-c3ccc(O)c(O)c3)oc1-2	ZINC000072125049	205306204	/nfs/dbraw/zinc/30/62/04/205306204.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	1	2	397.427	3.657	1	10		GHCFLO
C[C@@H]1CCCC[N@H+]1Cc1c(=O)cc(O)c2c(O)cc(-c3ccc(O)c(O)c3)oc1-2	ZINC000072125049	205306209	/nfs/dbraw/zinc/30/62/09/205306209.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	1	2	397.427	3.657	1	10		GHCFLO
C[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(=O)c2c(O)cc(-c3ccc(O)c(O)c3)oc1-2	ZINC000072125049	205306214	/nfs/dbraw/zinc/30/62/14/205306214.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	1	2	397.427	3.657	1	10		GHCFLO
C[C@@H]1CCCC[N@H+]1Cc1c(O)cc(=O)c2c(O)cc(-c3ccc(O)c(O)c3)oc1-2	ZINC000072125049	205306218	/nfs/dbraw/zinc/30/62/18/205306218.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	1	2	397.427	3.657	1	10		GHCFLO
O=C(NC1CCCCC1)N1Cc2cnnn2-c2ccc([NH+]3CCCCC3)cc2C1	ZINC000072139795	205308892	/nfs/dbraw/zinc/30/88/92/205308892.db2.gz	ZHEFMURXBVNGGJ-UHFFFAOYSA-N	1	2	394.523	3.616	3	10		GHCFLO
COc1c(O)c2c(O)cc(-c3ccccc3)oc-2c(C[NH+]2CCCCC2)c1=O	ZINC000029127546	207354844	/nfs/dbraw/zinc/35/48/44/207354844.db2.gz	WSAUAZGWQSJXLU-UHFFFAOYSA-N	1	2	381.428	3.866	1	10		GHCFLO
COc1ccc(CN2Cc3cnnn3-c3ccc([NH+]4CCCCC4)cc3C2)cc1	ZINC000072136529	222210559	/nfs/dbraw/zinc/21/05/59/222210559.db2.gz	AYLNOFQLQYQYBX-UHFFFAOYSA-N	1	2	389.503	3.782	3	10		GHCFLO
C[C@H]1CCC[N@H+](Cc2c(=O)cc(O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124907	222208709	/nfs/dbraw/zinc/20/87/09/222208709.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@H]1CCC[N@@H+](Cc2c(=O)cc(O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124907	222208711	/nfs/dbraw/zinc/20/87/11/222208711.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@H]1CCC[N@H+](Cc2c(O)cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124907	222208715	/nfs/dbraw/zinc/20/87/15/222208715.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	1	2	381.428	3.809	1	10		GHCFLO
C[C@H]1CCC[N@@H+](Cc2c(O)cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)C1	ZINC000072124907	222208717	/nfs/dbraw/zinc/20/87/17/222208717.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	1	2	381.428	3.809	1	10		GHCFLO