smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])c(OCC)c2)C(=O)[N-]C1=S	ZINC000015012660	569004425	/nfs/dbraw/zinc/00/44/25/569004425.db2.gz	VRGCLWPDBPBRMM-NASPGAHYSA-N	-2	1	404.444	2.590	40	30		HFEBML
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C(=O)[N-]C1=S	ZINC000408902381	560652214	/nfs/dbraw/zinc/65/22/14/560652214.db2.gz	ICHGZHJOUZCFEB-LICLKQGHSA-N	-2	1	423.494	2.913	40	30		HFEBML
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000408903577	560652437	/nfs/dbraw/zinc/65/24/37/560652437.db2.gz	ZXWRZYUKSFDTAF-SFQUDFHCSA-N	-2	1	422.462	2.777	40	30		HFEBML
C#CCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000409342955	560711835	/nfs/dbraw/zinc/71/18/35/560711835.db2.gz	FMPAZROTOLHAOW-SNAWJCMRSA-N	-2	1	422.191	2.750	40	30		HFEBML
O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2/N=C/c1ccccc1	ZINC000002163982	568845800	/nfs/dbraw/zinc/84/58/00/568845800.db2.gz	KSROXRXSYWFBSD-VCHYOVAHSA-N	-3	1	407.425	2.789	40	30		HFEBML
C=CCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408903819	560652536	/nfs/dbraw/zinc/65/25/36/560652536.db2.gz	ZXPYYHLCOWHBPY-XBXARRHUSA-N	-2	1	401.669	2.621	40	30		HFEBML
C=CCN1C(=O)/C(=C\c2ccccc2OCc2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000408902455	560652230	/nfs/dbraw/zinc/65/22/30/560652230.db2.gz	NYPGPMBWTGSPML-SFQUDFHCSA-N	-2	1	422.462	2.777	40	30		HFEBML
C=CCN1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OCC)c2)C(=O)[N-]C1=S	ZINC000015012658	569004421	/nfs/dbraw/zinc/00/44/21/569004421.db2.gz	VRGCLWPDBPBRMM-KWJWQAOWSA-N	-2	1	404.444	2.590	40	30		HFEBML