smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1	ZINC000003939322	562930257	/nfs/dbraw/zinc/93/02/57/562930257.db2.gz	IFUFBKYZHPAPTH-UHFFFAOYSA-N	0	2	471.513	0.231	1	30		JCEFLN
COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1	ZINC000013781067	562992051	/nfs/dbraw/zinc/99/20/51/562992051.db2.gz	BCWUIVYEXBBRHO-UHFFFAOYSA-N	0	2	485.540	0.621	1	30		JCEFLN
Cn1cnc(S(=O)(=O)N(CC(=O)[O-])[C@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815236	563079349	/nfs/dbraw/zinc/07/93/49/563079349.db2.gz	AVDCWFOBITYPCC-KRWDZBQOSA-N	0	2	469.527	0.732	1	30		JCEFLN
Cn1cnc(S(=O)(=O)N(CC(=O)[O-])[C@@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815238	563079334	/nfs/dbraw/zinc/07/93/34/563079334.db2.gz	AVDCWFOBITYPCC-QGZVFWFLSA-N	0	2	469.527	0.732	1	30		JCEFLN
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)C=C([O-])c2ccc(N(C)C)[nH+]c2)[C@H](O)[C@@H]1O	ZINC000029489575	563105750	/nfs/dbraw/zinc/10/57/50/563105750.db2.gz	LHBFEGFMZYLNNO-DZGNYWRLSA-N	0	2	450.532	0.591	1	30		JCEFLN
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)C=C(O)c2ccc(N(C)C)nc2)[C@H](O)[C@@H]1O	ZINC000029489575	563105749	/nfs/dbraw/zinc/10/57/49/563105749.db2.gz	LHBFEGFMZYLNNO-DZGNYWRLSA-N	0	2	450.532	0.591	1	30		JCEFLN
Nc1nc(Nc2ccc(S(=O)(=O)[N-]C(=O)[C@H]([NH3+])CO)cc2)nn1C(=O)c1c(F)cccc1F	ZINC000036124411	563122417	/nfs/dbraw/zinc/12/24/17/563122417.db2.gz	LNWXGYVVZJDLCP-CYBMUJFWSA-N	0	2	481.441	0.535	1	30		JCEFLN
C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000036386996	563129000	/nfs/dbraw/zinc/12/90/00/563129000.db2.gz	GGQJXCQBBONZFX-CKLJQEEZSA-N	0	2	476.869	0.216	1	30		JCEFLN
C=C1c2c(S)ccc(O)c2C(=O)[C@H]2[C@H](O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3C[C@H]12	ZINC000058500363	563206686	/nfs/dbraw/zinc/20/66/86/563206686.db2.gz	XUJRLDAHUOJTQZ-HNDJMPFGSA-N	0	2	460.508	0.045	1	30		JCEFLN
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000009302286	562955836	/nfs/dbraw/zinc/95/58/36/562955836.db2.gz	FFTVPQUHLQBXQZ-NZSJYHRGSA-N	0	2	457.483	0.030	3	30		JCEFLN