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)oc23)C1	ZINC000072124906	205307088	/nfs/dbraw/zinc/30/70/88/205307088.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	-1	1	381.428	3.809	1	10		GHCFMM
C[C@@H]1CCC[N@@H+](Cc2c([O-])cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc23)C1	ZINC000072124906	205307093	/nfs/dbraw/zinc/30/70/93/205307093.db2.gz	WISJEXBAGFPBGB-CYBMUJFWSA-N	-1	1	381.428	3.809	1	10		GHCFMM
O=C(/C=C/c1ccc(F)cn1)N1CCc2c(Cl)c([O-])c(O)c(Cl)c2C1	ZINC000058591172	205176508	/nfs/dbraw/zinc/17/65/08/205176508.db2.gz	AAANWSVXSPZEDA-ONEGZZNKSA-N	-1	1	383.206	3.537	1	10		GHCFMM
C[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	ZINC000072125049	205306194	/nfs/dbraw/zinc/30/61/94/205306194.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	-1	1	397.427	3.657	1	10		GHCFMM
C[C@@H]1CCCC[N@H+]1Cc1c([O-])cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	ZINC000072125049	205306198	/nfs/dbraw/zinc/30/61/98/205306198.db2.gz	PVVBIHNULAVJNX-GFCCVEGCSA-N	-1	1	397.427	3.657	1	10		GHCFMM
[O-]c1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCc1ccccc1)C2	ZINC000029131843	207354715	/nfs/dbraw/zinc/35/47/15/207354715.db2.gz	ZTMLOOYBOCIEND-UHFFFAOYSA-N	-1	1	383.300	3.837	1	10		GHCFMM
O=C(Nc1ccc(NC(=O)c2ccccc2[O-])cc1)Nc1ccc(O)c(O)c1	ZINC000013535936	221271556	/nfs/dbraw/zinc/27/15/56/221271556.db2.gz	MPMYPDXRHZUVHA-UHFFFAOYSA-N	-1	1	379.372	3.700	1	10		GHCFMM
COCc1c(Br)c([O-])c(O)c(Br)c1Br	ZINC000014769541	212117183	/nfs/dbraw/zinc/11/71/83/212117183.db2.gz	DDCGTIAYZULVGZ-UHFFFAOYSA-N	-1	1	390.853	3.532	1	10		GHCFMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)C(=O)c2ccccc2-3)cc1	ZINC000013862836	221292197	/nfs/dbraw/zinc/29/21/97/221292197.db2.gz	KXLFQBVZRBXOLN-UHFFFAOYSA-N	-1	1	377.421	3.842	1	10		GHCFMM
C[C@H]1CCC[N@H+](Cc2c([O-])cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc23)C1	ZINC000072124907	222208704	/nfs/dbraw/zinc/20/87/04/222208704.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	-1	1	381.428	3.809	1	10		GHCFMM
C[C@H]1CCC[N@@H+](Cc2c([O-])cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc23)C1	ZINC000072124907	222208706	/nfs/dbraw/zinc/20/87/06/222208706.db2.gz	WISJEXBAGFPBGB-ZDUSSCGKSA-N	-1	1	381.428	3.809	1	10		GHCFMM