smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(=O)[n-]c(C#CC2CC2)n1	ZINC000584636823	358321678	/nfs/dbraw/zinc/32/16/78/358321678.db2.gz	FFKHXNLYXWPANG-UHFFFAOYSA-N	-2	1	204.185	0.642	10	30		BCEEML
O=C([O-])c1ccc2c(c1)C(=O)N([O-])C2=O	ZINC000034573968	182572661	/nfs/dbraw/zinc/57/26/61/182572661.db2.gz	ILJTZGSGCNDILQ-UHFFFAOYSA-N	-2	1	207.141	0.370	10	30		BCEEML
N#Cc1ccc(-n2[n-]cc(CC(=O)[O-])c2=O)cc1	ZINC000536952668	323959088	/nfs/dbraw/zinc/95/90/88/323959088.db2.gz	DDXCZBGGEHIYSW-UHFFFAOYSA-N	-2	1	243.222	0.664	10	30		BCEEML
COc1cc(C=O)cc(C#CC(=O)[O-])c1[O-]	ZINC000757566464	586461817	/nfs/dbraw/zinc/46/18/17/586461817.db2.gz	FSONNIKJIVCCDR-UHFFFAOYSA-N	-2	1	220.180	0.649	10	30		BCEEML
O=Cc1cc(C#CC(=O)[O-])cc(F)c1[O-]	ZINC000757568216	586461635	/nfs/dbraw/zinc/46/16/35/586461635.db2.gz	LOMKGVXGVCKPQQ-UHFFFAOYSA-N	-2	1	208.144	0.780	10	30		BCEEML
C=CC[C@@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-]	ZINC000127536734	590702518	/nfs/dbraw/zinc/70/25/18/590702518.db2.gz	IIGLQHRISHRGJY-SCSAIBSYSA-N	-2	1	229.204	0.158	10	30		BCEEML
C=CC[C@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-]	ZINC000127536518	590701983	/nfs/dbraw/zinc/70/19/83/590701983.db2.gz	IIGLQHRISHRGJY-BYPYZUCNSA-N	-2	1	229.204	0.158	10	30		BCEEML
N#Cc1c(CC(=O)[O-])ccc([O-])c1C=O	ZINC000396139130	344614672	/nfs/dbraw/zinc/61/46/72/344614672.db2.gz	SVTSHROKUSGRRS-UHFFFAOYSA-N	-2	1	205.169	0.703	10	30		BCEEML
N#CCC[C@@H](C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013470233	187307661	/nfs/dbraw/zinc/30/76/61/187307661.db2.gz	XQGQTDRATZDGHF-YFKPBYRVSA-N	-2	1	207.122	0.169	10	30		BCEEML
N#Cc1cc(C=O)cc([O-])c1CC(=O)[O-]	ZINC000396135960	359808360	/nfs/dbraw/zinc/80/83/60/359808360.db2.gz	KGMUNSKOASYUBH-UHFFFAOYSA-N	-2	1	205.169	0.703	10	30		BCEEML
COc1cc(C=O)c(C#CC(=O)[O-])cc1[O-]	ZINC000757569050	586462617	/nfs/dbraw/zinc/46/26/17/586462617.db2.gz	SFLSHEORTADOGD-UHFFFAOYSA-N	-2	1	220.180	0.649	10	30		BCEEML
CC(=O)c1ccc([O-])c(C(=O)Nc2nnn[n-]2)c1	ZINC000027629172	188110595	/nfs/dbraw/zinc/11/05/95/188110595.db2.gz	NSYOULVCWPFTPN-UHFFFAOYSA-N	-2	1	247.214	0.744	10	30		BCEEML
CC(=O)c1ccc([O-])c(C(=O)Nc2nn[n-]n2)c1	ZINC000027629172	188110597	/nfs/dbraw/zinc/11/05/97/188110597.db2.gz	NSYOULVCWPFTPN-UHFFFAOYSA-N	-2	1	247.214	0.744	10	30		BCEEML
N#Cc1cccc(-n2[n-]cc(CC(=O)[O-])c2=O)c1	ZINC000536953906	343652836	/nfs/dbraw/zinc/65/28/36/343652836.db2.gz	LKEQFARVOBWDIJ-UHFFFAOYSA-N	-2	1	243.222	0.664	10	30		BCEEML
CCOC(=O)C1=C(O)C(=O)C(=C([O-])OCC)O1	ZINC000100877943	170179275	/nfs/dbraw/zinc/17/92/75/170179275.db2.gz	YCNONGXDPIGWCP-XOHWUJONSA-N	-2	1	244.199	0.682	10	30		BCEEML