smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H](NC(=O)C(=O)OC[C@H]1O[C@@H](Cn2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)[O-]	ZINC000029123077	563094161	/nfs/dbraw/zinc/09/41/61/563094161.db2.gz	OXXNTDPSNIHVAK-BQQXIIOZSA-N	-1	0	466.451	-0.160	1	10		JBCFRM
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000029123079	563094168	/nfs/dbraw/zinc/09/41/68/563094168.db2.gz	FJKZZZVEKLXUQD-ZOBORPQBSA-N	-1	0	466.451	-0.160	1	10		JBCFRM
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000029123696	563094333	/nfs/dbraw/zinc/09/43/33/563094333.db2.gz	FUWFYRZFZKZYPN-MROQNXINSA-N	-1	0	450.408	-0.700	1	10		JBCFRM
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)O2)c(=O)[nH]c1=O	ZINC000029123754	563094328	/nfs/dbraw/zinc/09/43/28/563094328.db2.gz	DQYUIUTXBKQBBO-XQHKEYJVSA-N	-1	0	452.424	-0.550	1	10		JBCFRM
O=C(NO[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O)c1cccc(O)c1O	ZINC000038157693	563132827	/nfs/dbraw/zinc/13/28/27/563132827.db2.gz	KAOJSZMNXZTLSM-LSCFUAHRSA-N	-1	0	483.330	-0.665	1	10		JBCFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O	ZINC000045285216	563183803	/nfs/dbraw/zinc/18/38/03/563183803.db2.gz	OIHUOLJEYIWTSC-GJZGRUSLSA-N	-1	0	485.449	-0.137	1	10		JBCFRM
CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O)C(=O)[O-]	ZINC000045298764	563185191	/nfs/dbraw/zinc/18/51/91/563185191.db2.gz	XPYILMGOCNSRKF-RYUDHWBXSA-N	-1	0	451.432	-0.334	1	10		JBCFRM
CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c(O)c2C)C(=O)c2ccc([O-])cc2C3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000085541269	291420612	/nfs/dbraw/zinc/42/06/12/291420612.db2.gz	NZFWKPNBKZRWCW-UGWJNKPKSA-N	-1	0	474.418	-0.069	1	10	biogenic,in-vitro	JBCFRM
COC(=O)[C@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000095911381	565179314	/nfs/dbraw/zinc/17/93/14/565179314.db2.gz	OIGNHVRXJGPBJV-BZGKKXHOSA-N	-1	0	478.406	-0.131	1	10	biogenic,in-vitro	JBCFRM
CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c(O)c2C)C(=O)c2ccc([O-])cc2C3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000095919176	291420600	/nfs/dbraw/zinc/42/06/00/291420600.db2.gz	NZFWKPNBKZRWCW-PZTYSZJPSA-N	-1	0	474.418	-0.069	1	10	biogenic,in-vitro	JBCFRM