smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492411	204047175	/nfs/dbraw/zinc/04/71/75/204047175.db2.gz	IBOXUXKSNZFTBD-UMIVRTMYSA-N	-1	2	397.456	3.283	50	30		GGEALM
Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492411	204047179	/nfs/dbraw/zinc/04/71/79/204047179.db2.gz	IBOXUXKSNZFTBD-UMIVRTMYSA-N	-1	2	397.456	3.283	50	30		GGEALM
Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000002491203	209366340	/nfs/dbraw/zinc/36/63/40/209366340.db2.gz	ZLHYIDNNHJNSDX-UMIVRTMYSA-N	-1	2	397.456	3.283	50	30		GGEALM
Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492410	570809673	/nfs/dbraw/zinc/80/96/73/570809673.db2.gz	IBOXUXKSNZFTBD-JDAKFOBDSA-N	-1	2	397.456	3.283	50	30		GGEALM
Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492410	570809678	/nfs/dbraw/zinc/80/96/78/570809678.db2.gz	IBOXUXKSNZFTBD-JDAKFOBDSA-N	-1	2	397.456	3.283	50	30		GGEALM
CCNC(=O)C[C@H]1S/C(=N\c2cc(Cl)c([O-])c(Cl)c2)N(CC)C1=O	ZINC000004699864	564205001	/nfs/dbraw/zinc/20/50/01/564205001.db2.gz	LECNOVRYLQJQJN-QNPMFDGYSA-N	-1	2	390.292	3.177	50	30		GGEALM
O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c(O)c1	ZINC000006220320	564221369	/nfs/dbraw/zinc/22/13/69/564221369.db2.gz	ANHPCNIOMROYEE-GIDUJCDVSA-N	-1	2	382.126	3.427	50	30		GGEALM
CCc1ccc(C(=O)C[C@H]2SC(=Nc3ccc(C(=O)[O-])cc3)NC2=O)cc1	ZINC000238900811	570812209	/nfs/dbraw/zinc/81/22/09/570812209.db2.gz	KDPWCDAMQJFINZ-QGZVFWFLSA-N	-1	2	382.441	3.439	50	30		GGEALM
CCc1ccc(C(=O)CC2SC(=Nc3ccc(C(=O)[O-])cc3)NC2=O)cc1	ZINC000238900811	570812212	/nfs/dbraw/zinc/81/22/12/570812212.db2.gz	KDPWCDAMQJFINZ-QGZVFWFLSA-N	-1	2	382.441	3.439	50	30		GGEALM
CCNC(=O)C[C@@H]1S/C(=N\c2cc(Cl)c([O-])c(Cl)c2)N(CC)C1=O	ZINC000004699866	564204851	/nfs/dbraw/zinc/20/48/51/564204851.db2.gz	LECNOVRYLQJQJN-HSHIVQNRSA-N	-1	2	390.292	3.177	50	30		GGEALM
O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000006220275	564221650	/nfs/dbraw/zinc/22/16/50/564221650.db2.gz	SGSPZRHSSKZDBN-GIDUJCDVSA-N	-1	2	382.126	3.427	50	30		GGEALM
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N/c1cccc(C(=O)[O-])c1	ZINC000100927934	570781101	/nfs/dbraw/zinc/78/11/01/570781101.db2.gz	ZSECGHCATMNBLV-SDHVYIKKSA-N	-1	2	399.384	3.232	50	30		GGEALM
CCc1ccc(C(=O)C[C@@H]2SC(=Nc3ccc(C(=O)[O-])cc3)NC2=O)cc1	ZINC000238900810	570812317	/nfs/dbraw/zinc/81/23/17/570812317.db2.gz	KDPWCDAMQJFINZ-KRWDZBQOSA-N	-1	2	382.441	3.439	50	30		GGEALM
CCc1ccc(C(=O)CC2SC(=Nc3ccc(C(=O)[O-])cc3)NC2=O)cc1	ZINC000238900810	570812322	/nfs/dbraw/zinc/81/23/22/570812322.db2.gz	KDPWCDAMQJFINZ-KRWDZBQOSA-N	-1	2	382.441	3.439	50	30		GGEALM