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]1O[C@H](O[C@H]2C[C@](O)(CCO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000026402016	563027667	/nfs/dbraw/zinc/02/76/67/563027667.db2.gz	LWRVSBUMMHWLNY-HPJOMPMPSA-N	0	3	499.516	0.814	1	10		JCCFHN
O=C1c2c3c(ccc2NCCN2CCOCC2)n(CC[NH2+]CCO)nc3-c2c([O-])ccc(O)c21	ZINC000028758100	563077954	/nfs/dbraw/zinc/07/79/54/563077954.db2.gz	CCXRHPMPBTVQIK-UHFFFAOYSA-N	0	3	467.526	0.985	1	10		JCCFHN
CN(C)CC[NH2+]CCNc1ccc2c3c(nn2C[C@@H](O)CO)-c2c([O-])ccc(O)c2C(=O)c31	ZINC000028759007	563078034	/nfs/dbraw/zinc/07/80/34/563078034.db2.gz	ZXIZZZARCZJGHP-CYBMUJFWSA-N	0	3	455.515	0.575	1	10		JCCFHN
CN(C)CC[NH2+]CCNc1ccc2c3c(nn2C[C@H](O)CO)-c2c([O-])ccc(O)c2C(=O)c31	ZINC000028759009	563078057	/nfs/dbraw/zinc/07/80/57/563078057.db2.gz	ZXIZZZARCZJGHP-ZDUSSCGKSA-N	0	3	455.515	0.575	1	10		JCCFHN
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1[NH3+]	ZINC000028769966	563079103	/nfs/dbraw/zinc/07/91/03/563079103.db2.gz	XPBASBUSUOKBHL-QIGZZCGOSA-N	0	3	485.489	0.424	1	10		JCCFHN
C[C@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1[NH3+]	ZINC000028769968	563079043	/nfs/dbraw/zinc/07/90/43/563079043.db2.gz	XPBASBUSUOKBHL-RZNFFPIRSA-N	0	3	485.489	0.424	1	10		JCCFHN
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@H]1O	ZINC000038943731	563135874	/nfs/dbraw/zinc/13/58/74/563135874.db2.gz	YLOIPXOZRRNIMJ-CTQMHREASA-N	0	3	485.489	0.424	1	10		JCCFHN
C[C@@H]1O[C@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@H]1O	ZINC000038943733	563135892	/nfs/dbraw/zinc/13/58/92/563135892.db2.gz	YLOIPXOZRRNIMJ-GPLQDOSBSA-N	0	3	485.489	0.424	1	10		JCCFHN
C[C@@H](O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@H]2C[C@@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O	ZINC000040449507	563143944	/nfs/dbraw/zinc/14/39/44/563143944.db2.gz	KMIBSUUWQWSRQV-ZIOXQRKISA-N	0	3	499.516	0.812	1	10		JCCFHN
C[C@@H]1O[C@H](O[C@H]2C[C@](O)(CCO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@H]1O	ZINC000058554768	563207237	/nfs/dbraw/zinc/20/72/37/563207237.db2.gz	LWRVSBUMMHWLNY-JPJLJHJTSA-N	0	3	499.516	0.814	1	10		JCCFHN