smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-]	ZINC000164508990	367288188	/nfs/dbraw/zinc/28/81/88/367288188.db2.gz	CTPHBFKUFANPOH-SNVBAGLBSA-N	-2	1	295.310	2.031	20	10		CECDML
O=C([O-])N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000834188851	605991540	/nfs/dbraw/zinc/99/15/40/605991540.db2.gz	DDKBRZATVUBWDN-VIFPVBQESA-N	-2	1	288.706	2.027	20	10		CECDML
CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1O	ZINC000158490175	366856453	/nfs/dbraw/zinc/85/64/53/366856453.db2.gz	QDLPJGWJCFYRIR-ZDUSSCGKSA-N	-2	1	295.310	2.173	20	10		CECDML
Cc1cc(C)c(C(=O)[O-])cc1C=C1SC(=S)[N-]C1=O	ZINC000794928581	629360020	/nfs/dbraw/zinc/36/00/20/629360020.db2.gz	YDGGUVOYMKAMFJ-YHYXMXQVSA-N	-2	1	293.369	2.490	20	10		CECDML
CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1O	ZINC000158490038	366856631	/nfs/dbraw/zinc/85/66/31/366856631.db2.gz	QDLPJGWJCFYRIR-CYBMUJFWSA-N	-2	1	295.310	2.173	20	10		CECDML
CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-]	ZINC000164508864	367288001	/nfs/dbraw/zinc/28/80/01/367288001.db2.gz	CTPHBFKUFANPOH-JTQLQIEISA-N	-2	1	295.310	2.031	20	10		CECDML
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C(=O)[O-])c1[O-]	ZINC000236653066	518278860	/nfs/dbraw/zinc/27/88/60/518278860.db2.gz	ZEWNEJPOPFQXQI-GFCCVEGCSA-N	-2	1	297.738	2.297	20	10		CECDML
Cc1cc(C)c(C(=O)[O-])cc1C=C1SC(=S)[N-]C1=O	ZINC000794928579	629360537	/nfs/dbraw/zinc/36/05/37/629360537.db2.gz	YDGGUVOYMKAMFJ-BJMVGYQFSA-N	-2	1	293.369	2.490	20	10		CECDML
O=C([O-])N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000834188849	605991785	/nfs/dbraw/zinc/99/17/85/605991785.db2.gz	DDKBRZATVUBWDN-SECBINFHSA-N	-2	1	288.706	2.027	20	10		CECDML
O=C([O-])c1ccccc1NCC(=O)c1ccc([O-])c(O)c1	ZINC001170316471	812386326	/nfs/dbraw/zinc/38/63/26/812386326.db2.gz	SMGAHABZJPSDLG-UHFFFAOYSA-N	-2	1	287.271	2.091	20	10		CECDML
O=S(=O)([N-]c1ccccc1)c1cc(F)cc(F)c1[O-]	ZINC000753022785	575317983	/nfs/dbraw/zinc/31/79/83/575317983.db2.gz	YPSOYVVCINVPKZ-UHFFFAOYSA-N	-2	1	285.271	2.471	20	10		CECDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccco1	ZINC000783531354	647726463	/nfs/dbraw/zinc/72/64/63/647726463.db2.gz	CRDSCYFTAYRYKM-UHFFFAOYSA-N	-2	1	273.697	2.439	20	10		CECDML
CON(C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000728194489	574462384	/nfs/dbraw/zinc/46/23/84/574462384.db2.gz	MBMDPCOIWNFARU-UHFFFAOYSA-N	-2	1	287.315	2.322	20	10		CECDML
CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC(=O)[O-])c1[O-]	ZINC000269239876	372393234	/nfs/dbraw/zinc/39/32/34/372393234.db2.gz	AVYIIHHLTISUJN-UHFFFAOYSA-N	-2	1	285.727	2.155	20	10		CECDML