smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=N)NC1=NC(=O)C(=Cc2ccc(N3CCC([NH2+]C[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1	ZINC000028100070	561901335	/nfs/dbraw/zinc/90/13/35/561901335.db2.gz	WYEDYMVEMZLAMY-IOOSODASSA-N	1	3	538.674	2.447	1	10		KECFHO
CN(C)C(=N)NC1=NC(=O)C(=Cc2ccc(N3CCC([NH2+]C[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1	ZINC000028101941	561901625	/nfs/dbraw/zinc/90/16/25/561901625.db2.gz	DNHMCICLDPXBHZ-BABSMXRMSA-N	1	3	607.737	2.331	1	10		KECFHO
C[N+](C)(C)Cc1cc(CCC(=O)NCCNC(=O)CCc2ccc(O)c(C[N+](C)(C)C)c2)ccc1[O-]	ZINC000040776206	562079636	/nfs/dbraw/zinc/07/96/36/562079636.db2.gz	SXDVDCXKJDRIFF-UHFFFAOYSA-P	1	3	500.684	2.308	1	10		KECFHO
CC[C@H](C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC)cc1C2=O	ZINC000044361492	562655712	/nfs/dbraw/zinc/65/57/12/562655712.db2.gz	GZSRYXFEOPUBAT-LZDLRQINSA-N	1	3	606.724	2.098	1	10		KECFHO
N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc1C2=O	ZINC000049833370	562687734	/nfs/dbraw/zinc/68/77/34/562687734.db2.gz	VNFAEYOJEMFPBE-ACHIHNKUSA-N	1	3	674.758	2.492	1	10		KECFHO
N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCNC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc1C2=O	ZINC000049888740	562691419	/nfs/dbraw/zinc/69/14/19/562691419.db2.gz	PLOZSLKKRWCTBF-ACHIHNKUSA-N	1	3	674.758	2.492	1	10		KECFHO
CC[C@H](C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC)ccc1C2=O	ZINC000049889449	562692086	/nfs/dbraw/zinc/69/20/86/562692086.db2.gz	UMAFERSFIRHCQL-LZDLRQINSA-N	1	3	606.724	2.098	1	10		KECFHO