smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(=O)oc2c(C)c(O)c(C[N@H+](CCOC)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524729741	568903881	/nfs/dbraw/zinc/90/38/81/568903881.db2.gz	HUCOICWDMNKTBK-NZQKXSOJSA-N	2	2	442.600	4.082	50	10	biogenic	IICALP
CCc1cc(=O)oc2c(C)c(O)c(C[N@@H+](CCOC)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524729741	568903883	/nfs/dbraw/zinc/90/38/83/568903883.db2.gz	HUCOICWDMNKTBK-NZQKXSOJSA-N	2	2	442.600	4.082	50	10	biogenic	IICALP
CCc1cc(=O)oc2c(C)c(O)c(C[NH+](CCOC)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc12	ZINC000524729741	568903885	/nfs/dbraw/zinc/90/38/85/568903885.db2.gz	HUCOICWDMNKTBK-NZQKXSOJSA-N	2	2	442.600	4.082	50	10	biogenic	IICALP
CCc1cc(=O)oc2c(C)c(O)c(C[NH+](CCOC)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc12	ZINC000524729741	568903886	/nfs/dbraw/zinc/90/38/86/568903886.db2.gz	HUCOICWDMNKTBK-NZQKXSOJSA-N	2	2	442.600	4.082	50	10	biogenic	IICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[N@H+](CCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729124	568903600	/nfs/dbraw/zinc/90/36/00/568903600.db2.gz	DVXFOPIDPZWHRF-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729124	568903602	/nfs/dbraw/zinc/90/36/02/568903602.db2.gz	DVXFOPIDPZWHRF-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[NH+](CCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524729124	568903603	/nfs/dbraw/zinc/90/36/03/568903603.db2.gz	DVXFOPIDPZWHRF-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
CCc1cc(=O)oc2c1ccc(O)c2C[N@H+](CCCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730058	569125914	/nfs/dbraw/zinc/12/59/14/569125914.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
CCc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CCCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730058	569125915	/nfs/dbraw/zinc/12/59/15/569125915.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](CCCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524730058	569125916	/nfs/dbraw/zinc/12/59/16/569125916.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](CCCOC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524730058	569125917	/nfs/dbraw/zinc/12/59/17/569125917.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	2	2	442.600	4.164	50	10	biogenic	IICALP
COCCC[N@@H+](Cc1cc2c(C)cc(=O)oc2c(C)c1O)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730251	569125870	/nfs/dbraw/zinc/12/58/70/569125870.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCCC[N@H+](Cc1cc2c(C)cc(=O)oc2c(C)c1O)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730251	569125872	/nfs/dbraw/zinc/12/58/72/569125872.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCCC[NH+](Cc1cc2c(C)cc(=O)oc2c(C)c1O)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524730251	569125874	/nfs/dbraw/zinc/12/58/74/569125874.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCCC[NH+](Cc1cc2c(C)cc(=O)oc2c(C)c1O)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524730251	569125876	/nfs/dbraw/zinc/12/58/76/569125876.db2.gz	BHCZOCAGPZUNOC-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCC[N@@H+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729147	568903640	/nfs/dbraw/zinc/90/36/40/568903640.db2.gz	FZNBYZGQXNKAJR-RBBKRZOGSA-N	2	2	442.600	4.137	50	10	biogenic	IICALP
COCC[N@H+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729147	568903642	/nfs/dbraw/zinc/90/36/42/568903642.db2.gz	FZNBYZGQXNKAJR-RBBKRZOGSA-N	2	2	442.600	4.137	50	10	biogenic	IICALP
COCC[NH+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524729147	568903643	/nfs/dbraw/zinc/90/36/43/568903643.db2.gz	FZNBYZGQXNKAJR-RBBKRZOGSA-N	2	2	442.600	4.137	50	10	biogenic	IICALP
COCC[NH+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1O)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524729147	568903645	/nfs/dbraw/zinc/90/36/45/568903645.db2.gz	FZNBYZGQXNKAJR-RBBKRZOGSA-N	2	2	442.600	4.137	50	10	biogenic	IICALP
COCCC[N@@H+](Cc1c(O)ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729754	568903961	/nfs/dbraw/zinc/90/39/61/568903961.db2.gz	IIQYOXGMHYEWRT-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCCC[N@H+](Cc1c(O)ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729754	568903963	/nfs/dbraw/zinc/90/39/63/568903963.db2.gz	IIQYOXGMHYEWRT-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCCC[NH+](Cc1c(O)ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524729754	568903964	/nfs/dbraw/zinc/90/39/64/568903964.db2.gz	IIQYOXGMHYEWRT-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COCCC[NH+](Cc1c(O)ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524729754	568903966	/nfs/dbraw/zinc/90/39/66/568903966.db2.gz	IIQYOXGMHYEWRT-NZQKXSOJSA-N	2	2	442.600	4.218	50	10	biogenic	IICALP
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+](C)C4CC[NH+](C)CC4)c32)cc1	ZINC000008717864	569471233	/nfs/dbraw/zinc/47/12/33/569471233.db2.gz	BMYKPFYRXDRVHZ-UHFFFAOYSA-N	2	2	437.540	4.234	50	10		IICALP
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@@H+](C)C4CC[NH+](C)CC4)c32)cc1	ZINC000008717864	569471234	/nfs/dbraw/zinc/47/12/34/569471234.db2.gz	BMYKPFYRXDRVHZ-UHFFFAOYSA-N	2	2	437.540	4.234	50	10		IICALP