smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c(O)c(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(CO)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12	ZINC000006069746	571691016	/nfs/dbraw/zinc/69/10/16/571691016.db2.gz	PTVABGVMGJFKGM-GHEGTYFOSA-N	0	0	418.486	2.763	1	10	endogenous,in-man	HFCFRN
CC(C)[C@H]([NH3+])C(=O)OCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049116375	581092663	/nfs/dbraw/zinc/09/26/63/581092663.db2.gz	BTJOOLLSNFXUAQ-VIFPVBQESA-N	0	0	418.811	2.515	1	10		HFCFRN
COc1ccc(N2CCN(C(=O)c3cccn4c(=O)c5ccccc5nc34)CC2)cc1	ZINC000002957276	536688882	/nfs/dbraw/zinc/68/88/82/536688882.db2.gz	LMFHEQQLEJQKHW-UHFFFAOYSA-N	0	0	414.465	2.819	3	10		HFCFRN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OC(C)=O)C2	ZINC000224347679	560044171	/nfs/dbraw/zinc/04/41/71/560044171.db2.gz	OHIKEQXDMBTKFE-NHCUHLMSSA-N	0	0	416.382	2.556	1	10	biogenic,in-vitro	HFCFRN
COc1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1	ZINC000006785708	536677270	/nfs/dbraw/zinc/67/72/70/536677270.db2.gz	FJHLUCPCRYKMMT-UHFFFAOYSA-N	0	0	414.527	2.659	3	10		HFCFRN
COc1ccc(N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1OC	ZINC000031475291	132227741	/nfs/dbraw/zinc/22/77/41/132227741.db2.gz	ZNVZCBHKFQZYQF-SFHVURJKSA-N	0	0	406.910	2.919	1	10		HFCFRN
COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1OC	ZINC000031475286	536698156	/nfs/dbraw/zinc/69/81/56/536698156.db2.gz	ZNVZCBHKFQZYQF-GOSISDBHSA-N	0	0	406.910	2.919	1	10		HFCFRN
COc1c(O)c(O)c(CO)c2c1C=C[C@H]1[C@H](O)C[C@H](CCc3ccc(O)cc3)O[C@H]21	ZINC000085596398	291222668	/nfs/dbraw/zinc/22/26/68/291222668.db2.gz	BXJPYIFTUZEFBG-MJJCUKRNSA-N	0	0	414.454	2.771	1	10	biogenic,in-vitro	HFCFRN
COc1ccc2c(c(/C=C3\C(=O)NN=C3c3cnns3)cn2C)c1Br	ZINC000028955055	581095674	/nfs/dbraw/zinc/09/56/74/581095674.db2.gz	YVJPQWFIQZMVQV-UITAMQMPSA-N	0	0	418.276	2.718	1	10		HFCFRN
CC(C)[C@@H]([NH3+])C(=O)OCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049116379	581092782	/nfs/dbraw/zinc/09/27/82/581092782.db2.gz	BTJOOLLSNFXUAQ-SECBINFHSA-N	0	0	418.811	2.515	1	10		HFCFRN