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	555929946	/nfs/dbraw/zinc/92/99/46/555929946.db2.gz	IHIJCPHGWNUCII-XUZZJYLKSA-N	1	1	497.636	3.375	10	10		JGCEMO
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[NH+](CCc2ccccn2)CC1	ZINC000038645408	526475618	/nfs/dbraw/zinc/47/56/18/526475618.db2.gz	QZABIYUQBLMUBI-MNDPQUGUSA-N	1	1	472.661	3.121	10	10		JGCEMO
COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014888362	521781748	/nfs/dbraw/zinc/78/17/48/521781748.db2.gz	CLMYMJJIRNLNAS-HSZRJFAPSA-N	1	1	495.620	3.241	10	10		JGCEMO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@H](O)COc1cccc3ccccc31)C(C)C)cc2=O	ZINC000058407065	195378827	/nfs/dbraw/zinc/37/88/27/195378827.db2.gz	NZHJFPOFSZRINQ-FQEVSTJZSA-N	1	1	478.549	3.415	10	10		JGCEMO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@@H](O)COc1cccc3ccccc31)C(C)C)cc2=O	ZINC000058407066	195378976	/nfs/dbraw/zinc/37/89/76/195378976.db2.gz	NZHJFPOFSZRINQ-HXUWFJFHSA-N	1	1	478.549	3.415	10	10		JGCEMO
CC[NH+]1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(OC)cc5)CC4)c3c2)CC1	ZINC000065002044	521670863	/nfs/dbraw/zinc/67/08/63/521670863.db2.gz	XZCHIJSSRLZAIY-UHFFFAOYSA-N	1	1	459.594	3.348	10	10		JGCEMO
COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc3c(c1)CCCN3C(C)C)CC2	ZINC000011788870	555823176	/nfs/dbraw/zinc/82/31/76/555823176.db2.gz	BWBJOGIPSSFGBF-UHFFFAOYSA-N	1	1	478.637	3.312	10	10		JGCEMO
COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014888360	521781389	/nfs/dbraw/zinc/78/13/89/521781389.db2.gz	CLMYMJJIRNLNAS-QHCPKHFHSA-N	1	1	495.620	3.241	10	10		JGCEMO