smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CC[C@H]1N1CCN(c2ccccc2OC)CC1	ZINC000012159559	555929939	/nfs/dbraw/zinc/92/99/39/555929939.db2.gz	IHIJCPHGWNUCII-XUZZJYLKSA-N	1	0	497.636	3.375	10	10		JGCERO
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C[N+]#N	ZINC000015722345	555957086	/nfs/dbraw/zinc/95/70/86/555957086.db2.gz	RYXAYZBFIBMXRV-GKVSMKOHSA-N	1	0	498.539	3.216	10	10		JGCERO
COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014888362	521781734	/nfs/dbraw/zinc/78/17/34/521781734.db2.gz	CLMYMJJIRNLNAS-HSZRJFAPSA-N	1	0	495.620	3.241	10	10		JGCERO
COc1ccc(O)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c1	ZINC000014989226	524736155	/nfs/dbraw/zinc/73/61/55/524736155.db2.gz	XYTRPQLVSLWGII-RPWUZVMVSA-N	1	0	456.608	3.484	10	10		JGCERO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@H](O)COc1cccc3ccccc31)C(C)C)cc2=O	ZINC000058407065	195378825	/nfs/dbraw/zinc/37/88/25/195378825.db2.gz	NZHJFPOFSZRINQ-FQEVSTJZSA-N	1	0	478.549	3.415	10	10		JGCERO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@@H](O)COc1cccc3ccccc31)C(C)C)cc2=O	ZINC000058407066	195378973	/nfs/dbraw/zinc/37/89/73/195378973.db2.gz	NZHJFPOFSZRINQ-HXUWFJFHSA-N	1	0	478.549	3.415	10	10		JGCERO
COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)c(O)c1	ZINC000014884560	524025896	/nfs/dbraw/zinc/02/58/96/524025896.db2.gz	ZIJDETCRUOLWCT-RPWUZVMVSA-N	1	0	456.608	3.484	10	10		JGCERO
COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1ccc3c(c1)CCCN3C(C)C)CC2	ZINC000011788870	555823172	/nfs/dbraw/zinc/82/31/72/555823172.db2.gz	BWBJOGIPSSFGBF-UHFFFAOYSA-N	1	0	478.637	3.312	10	10		JGCERO
COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCC[NH+]5CCCC5)cc43)CC2)cc1	ZINC000065002090	524438853	/nfs/dbraw/zinc/43/88/53/524438853.db2.gz	MWXLRCNTCFTHDN-UHFFFAOYSA-N	1	0	459.594	3.396	10	10		JGCERO
COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014888360	521781375	/nfs/dbraw/zinc/78/13/75/521781375.db2.gz	CLMYMJJIRNLNAS-QHCPKHFHSA-N	1	0	495.620	3.241	10	10		JGCERO