smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)C(=CNC(C)(CO)CO)C(=O)[N-]C1=S	ZINC000005686039	170128774	/nfs/dbraw/zinc/12/87/74/170128774.db2.gz	PCOXWJUHWNMFSY-VMPITWQZSA-N	-1	1	299.352	-1.368	10	30		CAEEMM
CN(C)CC#CCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000717891488	955150189	/nfs/dbraw/zinc/15/01/89/955150189.db2.gz	MLPDOVXHFVNOQQ-UHFFFAOYSA-N	-1	1	265.273	-1.343	10	30		CAEEMM
O=c1[n-]c(=O)n(C[C@]2(C[C@@H]3CO3)CO2)c(=O)n1C[C@@H]1CO1	ZINC000223559958	373235848	/nfs/dbraw/zinc/23/58/48/373235848.db2.gz	CDZILVGVJDQCAN-DNSOKLHBSA-N	-1	1	297.267	-2.345	10	30		CAEEMM
N#CCCNC(=O)CN1CCN(CC(=O)[O-])CC1	ZINC000035680703	172352361	/nfs/dbraw/zinc/35/23/61/172352361.db2.gz	SJJCTFZEWFRVAS-UHFFFAOYSA-N	-1	1	254.290	-1.282	10	30		CAEEMM
CN(C)CC#CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC000717882466	969097945	/nfs/dbraw/zinc/09/79/45/969097945.db2.gz	OVTWZXSOKHNZQW-SECBINFHSA-N	-1	1	253.258	-1.103	10	30		CAEEMM
Nc1nc2nc(CC(=O)C(=O)[O-])c(=O)[nH]c2c(=O)[nH]1	ZINC000136986852	372890547	/nfs/dbraw/zinc/89/05/47/372890547.db2.gz	BNJFLPKUALUAFG-UPHRSURJSA-N	-1	1	265.185	-1.746	10	30		CAEEMM
O=c1[n-]c(=O)n(C[C@@]2(C[C@H]3CO3)CO2)c(=O)n1C[C@@H]1CO1	ZINC000223559790	373235514	/nfs/dbraw/zinc/23/55/14/373235514.db2.gz	CDZILVGVJDQCAN-SXMVTHIZSA-N	-1	1	297.267	-2.345	10	30		CAEEMM
O=c1[n-]c(=O)n(C[C@]2(C[C@H]3CO3)CO2)c(=O)n1C[C@@H]1CO1	ZINC000223559895	373236190	/nfs/dbraw/zinc/23/61/90/373236190.db2.gz	CDZILVGVJDQCAN-JOAULVNJSA-N	-1	1	297.267	-2.345	10	30		CAEEMM
CN(C)CC#CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000717882467	969098177	/nfs/dbraw/zinc/09/81/77/969098177.db2.gz	OVTWZXSOKHNZQW-VIFPVBQESA-N	-1	1	253.258	-1.103	10	30		CAEEMM
O=C([O-])c1cc(S(=O)(=O)NCC#CCO)on1	ZINC000717504303	977902253	/nfs/dbraw/zinc/90/22/53/977902253.db2.gz	DOKKZGDBEMYGRD-UHFFFAOYSA-N	-1	1	260.227	-1.353	10	30		CAEEMM
O=c1[n-]c(=O)n(C[C@@]2(C[C@@H]3CO3)CO2)c(=O)n1C[C@@H]1CO1	ZINC000223559846	373235016	/nfs/dbraw/zinc/23/50/16/373235016.db2.gz	CDZILVGVJDQCAN-RWYTXXIDSA-N	-1	1	297.267	-2.345	10	30		CAEEMM
N#CCNC(=O)CN1CCN(CCC(=O)[O-])CC1	ZINC000035687235	172355221	/nfs/dbraw/zinc/35/52/21/172355221.db2.gz	GTEBNLFWGHVTGD-UHFFFAOYSA-N	-1	1	254.290	-1.282	10	30		CAEEMM