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-])CCCCC(=O)NCC(Cl)Cl	ZINC000379542145	971641963	/nfs/dbraw/zinc/64/19/63/971641963.db2.gz	QXRZNCNVABXGQM-UHFFFAOYSA-N	-1	0	242.102	1.551	10	50		BDGERM
C[C@@](NC(=O)CCl)(C(=O)[O-])c1ccccc1	ZINC000001768405	956864757	/nfs/dbraw/zinc/86/47/57/956864757.db2.gz	AMQZRJMDKFTKMR-NSHDSACASA-N	-1	0	241.674	1.341	10	50		BDGERM
CCc1cnc(/C=C(\C#N)C(=O)[O-])s1	ZINC000394708517	972744086	/nfs/dbraw/zinc/74/40/86/972744086.db2.gz	BTFRSOCZIAMONZ-ZZXKWVIFSA-N	-1	0	208.242	1.697	10	50		BDGERM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC(Cl)Cl	ZINC000397112434	972969376	/nfs/dbraw/zinc/96/93/76/972969376.db2.gz	FJJIJNMXAIQQNG-CRCLSJGQSA-N	-1	0	240.086	1.017	10	50		BDGERM
O=C([O-])C(=O)NNc1c(Cl)cccc1Cl	ZINC000389975530	951365514	/nfs/dbraw/zinc/36/55/14/951365514.db2.gz	FGRXEBHWVQYPOS-UHFFFAOYSA-N	-1	0	249.053	1.521	10	50		BDGERM
CC(=NN(C)C(N)=O)c1cc(C(=O)[O-])cs1	ZINC000378729529	971576268	/nfs/dbraw/zinc/57/62/68/971576268.db2.gz	KIPAJIGYNCLXMF-UHFFFAOYSA-N	-1	0	241.272	1.181	10	50		BDGERM
CC(=O)NN=C(C)c1cc(C(=O)[O-])cs1	ZINC000382274379	971806550	/nfs/dbraw/zinc/80/65/50/971806550.db2.gz	CBTHZCQTGVSNPU-UHFFFAOYSA-N	-1	0	226.257	1.306	10	50		BDGERM
COc1ccc(C)cc1/C=C(/C#N)C(=O)[O-]	ZINC000383975573	971904362	/nfs/dbraw/zinc/90/43/62/971904362.db2.gz	RGPZTYRIEQZDTC-POHAHGRESA-N	-1	0	217.224	1.995	10	50		BDGERM
C[C@](NC(=O)CCl)(C(=O)[O-])c1ccccc1	ZINC000002046620	956864259	/nfs/dbraw/zinc/86/42/59/956864259.db2.gz	AMQZRJMDKFTKMR-LLVKDONJSA-N	-1	0	241.674	1.341	10	50		BDGERM
Cn1cc(/C=C(\C#N)C(=O)[O-])c(C(C)(C)C)n1	ZINC000379621265	971650147	/nfs/dbraw/zinc/65/01/47/971650147.db2.gz	UIVIXKSRNZYFOW-VMPITWQZSA-N	-1	0	233.271	1.709	10	50		BDGERM
CN(N=C1CCC(CC(=O)[O-])CC1)C(N)=O	ZINC000382110754	971799880	/nfs/dbraw/zinc/79/98/80/971799880.db2.gz	KFCBXVJSYNTOBC-UHFFFAOYSA-N	-1	0	227.264	1.018	10	50		BDGERM
Cc1c(/C=C(\C#N)C(=O)[O-])cc(C#N)n1C	ZINC000003281463	956869217	/nfs/dbraw/zinc/86/92/17/956869217.db2.gz	RHIYDJWFEBLROR-YCRREMRBSA-N	-1	0	215.212	1.197	10	50		BDGERM
COc1ccc(C)cc1/C=C(\C#N)C(=O)[O-]	ZINC000383975574	971904580	/nfs/dbraw/zinc/90/45/80/971904580.db2.gz	RGPZTYRIEQZDTC-UXBLZVDNSA-N	-1	0	217.224	1.995	10	50		BDGERM
CSSCCNC(=O)C1(C(=O)[O-])CCC1	ZINC000397927302	951574984	/nfs/dbraw/zinc/57/49/84/951574984.db2.gz	OLFVCKUUFMYLLO-UHFFFAOYSA-N	-1	0	249.357	1.369	10	50		BDGERM
COC(=O)NN=C(C)c1cc(C(=O)[O-])co1	ZINC000382428467	971813018	/nfs/dbraw/zinc/81/30/18/971813018.db2.gz	ZBWWZYFRMGKROK-UHFFFAOYSA-N	-1	0	226.188	1.058	10	50		BDGERM
CSSCCNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000397937604	968262494	/nfs/dbraw/zinc/26/24/94/968262494.db2.gz	OTNXZVWYSCWPDP-RQJHMYQMSA-N	-1	0	249.357	1.225	10	50		BDGERM
CSSCCNc1nccnc1C(=O)[O-]	ZINC000397783651	973019261	/nfs/dbraw/zinc/01/92/61/973019261.db2.gz	FEVVJJNPTSFNSW-UHFFFAOYSA-N	-1	0	245.329	1.020	10	50		BDGERM
CSSCCNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000397937600	973040780	/nfs/dbraw/zinc/04/07/80/973040780.db2.gz	OTNXZVWYSCWPDP-NKWVEPMBSA-N	-1	0	249.357	1.225	10	50		BDGERM
CSSCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000397937602	951576101	/nfs/dbraw/zinc/57/61/01/951576101.db2.gz	OTNXZVWYSCWPDP-RNFRBKRXSA-N	-1	0	249.357	1.225	10	50		BDGERM
CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCl	ZINC000380234321	971685787	/nfs/dbraw/zinc/68/57/87/971685787.db2.gz	MSOYFWLAHAGDTQ-UHFFFAOYSA-N	-1	0	241.674	1.582	10	50		BDGERM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC(Cl)Cl	ZINC000397112435	951529385	/nfs/dbraw/zinc/52/93/85/951529385.db2.gz	FJJIJNMXAIQQNG-RFZPGFLSSA-N	-1	0	240.086	1.017	10	50		BDGERM
CC(=O)NN=C1CCC(CC(=O)[O-])CC1	ZINC000382371726	971810001	/nfs/dbraw/zinc/81/00/01/971810001.db2.gz	GRHZDJDYYUFUAL-UHFFFAOYSA-N	-1	0	212.249	1.143	10	50		BDGERM