smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[S-]c1ccc(Br)c(Br)c1	ZINC000034325927	567887421	/nfs/dbraw/zinc/88/74/21/567887421.db2.gz	YCDUVMUODNTCRB-UHFFFAOYSA-N	-1	0	267.973	3.500	30	0		CHACRM
FC(F)(F)Oc1ccc([S-])cc1Br	ZINC000036533011	567889309	/nfs/dbraw/zinc/88/93/09/567889309.db2.gz	IJWPUOUJWAWQFQ-UHFFFAOYSA-N	-1	0	273.073	3.636	30	0		CHACRM
FC(F)(F)c1ccc(Br)cc1[S-]	ZINC000096024815	185066420	/nfs/dbraw/zinc/06/64/20/185066420.db2.gz	PFRQIJQMWFOBTR-UHFFFAOYSA-N	-1	0	257.074	3.757	30	0		CHACRM
Cc1ccc([C@@H](Nc2cccc(Cl)c2)C(=O)[O-])cc1	ZINC000004253404	567856073	/nfs/dbraw/zinc/85/60/73/567856073.db2.gz	XTHRTBMDTVQSJK-CQSZACIVSA-N	-1	0	275.735	3.886	30	0		CHACRM
[S-]c1cc(Br)cc(Br)c1	ZINC000071792111	176263653	/nfs/dbraw/zinc/26/36/53/176263653.db2.gz	AZVGHTVANGAGFT-UHFFFAOYSA-N	-1	0	267.973	3.500	30	0		CHACRM
Fc1cc([S-])c(Br)cc1Br	ZINC000036533077	567889289	/nfs/dbraw/zinc/88/92/89/567889289.db2.gz	WRSGBQOTQHQHFN-UHFFFAOYSA-N	-1	0	285.963	3.639	30	0		CHACRM
Fc1cc(Br)c([S-])cc1Br	ZINC000067796587	567889719	/nfs/dbraw/zinc/88/97/19/567889719.db2.gz	PRDTVAFBIDEWNX-UHFFFAOYSA-N	-1	0	285.963	3.639	30	0		CHACRM
Cc1c2ccccc2n(C)c1Cc1ccccc1C(=O)[O-]	ZINC000096675118	230386087	/nfs/dbraw/zinc/38/60/87/230386087.db2.gz	ISKRUCYCGQIBLH-UHFFFAOYSA-N	-1	0	279.339	3.776	30	0		CHACRM
O=C([O-])[C@@H](Nc1ccc(Cl)cc1)c1cccs1	ZINC000004253392	260013947	/nfs/dbraw/zinc/01/39/47/260013947.db2.gz	NUCYUYSTLBUSRW-NSHDSACASA-N	-1	0	267.737	3.639	30	0		CHACRM
Cc1ccc(-c2nc3c(C)cccn3c2/C=C/C(=O)[O-])cc1	ZINC000031973183	171673175	/nfs/dbraw/zinc/67/31/75/171673175.db2.gz	JQBDPWZIMBRSIG-MDZDMXLPSA-N	-1	0	292.338	3.716	30	0		CHACRM
Cc1c(Br)ccc([S-])c1Br	ZINC000071792191	176263644	/nfs/dbraw/zinc/26/36/44/176263644.db2.gz	YLTMQZHFKJEZFM-UHFFFAOYSA-N	-1	0	282.000	3.809	30	0		CHACRM
Cc1ccc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000004253414	567856377	/nfs/dbraw/zinc/85/63/77/567856377.db2.gz	HAMPMIBSIPZPDV-CQSZACIVSA-N	-1	0	275.735	3.886	30	0		CHACRM
Cc1[nH]c2ccccc2c1Cc1ccccc1C(=O)[O-]	ZINC000096675115	533633946	/nfs/dbraw/zinc/63/39/46/533633946.db2.gz	PEOYVLHBGSNELL-UHFFFAOYSA-N	-1	0	265.312	3.765	30	0		CHACRM
Cc1ccccc1N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000004244725	567856415	/nfs/dbraw/zinc/85/64/15/567856415.db2.gz	LZQMKXDZAKBCSJ-AWEZNQCLSA-N	-1	0	275.735	3.886	30	0		CHACRM
Fc1cc(Br)c(Br)cc1[S-]	ZINC000036533078	567889427	/nfs/dbraw/zinc/88/94/27/567889427.db2.gz	CKHGGYKGZYRHJM-UHFFFAOYSA-N	-1	0	285.963	3.639	30	0		CHACRM
Cc1ccccc1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000004244726	169948350	/nfs/dbraw/zinc/94/83/50/169948350.db2.gz	LZQMKXDZAKBCSJ-CQSZACIVSA-N	-1	0	275.735	3.886	30	0		CHACRM
COc1ccccc1N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000004244718	566984438	/nfs/dbraw/zinc/98/44/38/566984438.db2.gz	AHNKKAPYEZRNRH-AWEZNQCLSA-N	-1	0	291.734	3.586	30	0		CHACRM
O=C([O-])c1ccc2nc(CCCc3ccccc3)oc2c1	ZINC000156870611	567143161	/nfs/dbraw/zinc/14/31/61/567143161.db2.gz	BUQPUAFLJAGAOG-UHFFFAOYSA-N	-1	0	281.311	3.701	30	0		CHACRM
O=C([O-])c1c(Cl)cc(Br)c(Cl)c1F	ZINC000036532827	567889430	/nfs/dbraw/zinc/88/94/30/567889430.db2.gz	NABZUAHIFQFLAU-UHFFFAOYSA-N	-1	0	287.899	3.593	30	0		CHACRM
CCSc1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000015441524	567933241	/nfs/dbraw/zinc/93/32/41/567933241.db2.gz	XFKVGMXHEPOATF-ZIAGYGMSSA-N	-1	0	292.400	3.872	30	0		CHACRM
O=C([O-])[C@H](Nc1ccc(Cl)cc1)c1cccs1	ZINC000004253397	567856248	/nfs/dbraw/zinc/85/62/48/567856248.db2.gz	NUCYUYSTLBUSRW-LLVKDONJSA-N	-1	0	267.737	3.639	30	0		CHACRM
Cc1ccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000004244729	169948136	/nfs/dbraw/zinc/94/81/36/169948136.db2.gz	UNKJAZDAFWYAMU-AWEZNQCLSA-N	-1	0	275.735	3.886	30	0		CHACRM
Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000004244730	169948330	/nfs/dbraw/zinc/94/83/30/169948330.db2.gz	UNKJAZDAFWYAMU-CQSZACIVSA-N	-1	0	275.735	3.886	30	0		CHACRM
Cc1cccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000004244728	567856159	/nfs/dbraw/zinc/85/61/59/567856159.db2.gz	AVWADDSNJAZTKD-CQSZACIVSA-N	-1	0	275.735	3.886	30	0		CHACRM
COc1ccccc1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000004244719	169948193	/nfs/dbraw/zinc/94/81/93/169948193.db2.gz	AHNKKAPYEZRNRH-CQSZACIVSA-N	-1	0	291.734	3.586	30	0		CHACRM
Cc1ccc([C@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000004253409	567856045	/nfs/dbraw/zinc/85/60/45/567856045.db2.gz	HAMPMIBSIPZPDV-AWEZNQCLSA-N	-1	0	275.735	3.886	30	0		CHACRM
O=C([O-])[C@H](Nc1cccc(Cl)c1)c1cccs1	ZINC000004253388	260014155	/nfs/dbraw/zinc/01/41/55/260014155.db2.gz	ABBSPTXNIAVXLP-LLVKDONJSA-N	-1	0	267.737	3.639	30	0		CHACRM
O=C([O-])[C@@H](Nc1cccc(Cl)c1)c1cccs1	ZINC000004253383	260014030	/nfs/dbraw/zinc/01/40/30/260014030.db2.gz	ABBSPTXNIAVXLP-NSHDSACASA-N	-1	0	267.737	3.639	30	0		CHACRM
Cc1c(Cc2ccccc2C(=O)[O-])c2ccccc2n1C	ZINC000096675116	230386111	/nfs/dbraw/zinc/38/61/11/230386111.db2.gz	CUVDMHZCDSMEDW-UHFFFAOYSA-N	-1	0	279.339	3.776	30	0		CHACRM
COc1cccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000004244720	169948248	/nfs/dbraw/zinc/94/82/48/169948248.db2.gz	QPNLKPVZIGLGST-AWEZNQCLSA-N	-1	0	291.734	3.586	30	0		CHACRM
Cc1ccc(N[C@H](C(=O)[O-])c2cccs2)cc1C	ZINC000004244777	566984969	/nfs/dbraw/zinc/98/49/69/566984969.db2.gz	LFQSQCJORBJSKS-ZDUSSCGKSA-N	-1	0	261.346	3.603	30	0		CHACRM
Cc1cccn2c(/C=C/C(=O)[O-])c(-c3ccc(F)cc3)nc12	ZINC000002599601	567043422	/nfs/dbraw/zinc/04/34/22/567043422.db2.gz	DVLPYAKMYWRVLD-CMDGGOBGSA-N	-1	0	296.301	3.547	30	0		CHACRM
COc1cccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000004244721	566985544	/nfs/dbraw/zinc/98/55/44/566985544.db2.gz	QPNLKPVZIGLGST-CQSZACIVSA-N	-1	0	291.734	3.586	30	0		CHACRM
CCSc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000015441518	170666430	/nfs/dbraw/zinc/66/64/30/170666430.db2.gz	XFKVGMXHEPOATF-KGLIPLIRSA-N	-1	0	292.400	3.872	30	0		CHACRM
Cc1ccc(N[C@@H](C(=O)[O-])c2cccs2)cc1C	ZINC000004244778	566984517	/nfs/dbraw/zinc/98/45/17/566984517.db2.gz	LFQSQCJORBJSKS-CYBMUJFWSA-N	-1	0	261.346	3.603	30	0		CHACRM
Cc1ccc([C@H](Nc2cccc(Cl)c2)C(=O)[O-])cc1	ZINC000004253401	567856203	/nfs/dbraw/zinc/85/62/03/567856203.db2.gz	XTHRTBMDTVQSJK-AWEZNQCLSA-N	-1	0	275.735	3.886	30	0		CHACRM
Cc1cccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000004244727	567856425	/nfs/dbraw/zinc/85/64/25/567856425.db2.gz	AVWADDSNJAZTKD-AWEZNQCLSA-N	-1	0	275.735	3.886	30	0		CHACRM
CCSc1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000015441521	567933235	/nfs/dbraw/zinc/93/32/35/567933235.db2.gz	XFKVGMXHEPOATF-KBPBESRZSA-N	-1	0	292.400	3.872	30	0		CHACRM