smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=C1CC(c2ccccc2)=Nc2ccc(Cl)cc2[N-]1	ZINC000001507454	169710226	/nfs/dbraw/zinc/71/02/26/169710226.db2.gz	YDQHMLKPJWZHRT-UHFFFAOYSA-N	-1	3	286.787	4.604	10	0		CJAEHM
CCC1=C(c2ccccc2)[C@H](C)c2cc([O-])ccc21	ZINC000004655162	560199554	/nfs/dbraw/zinc/19/95/54/560199554.db2.gz	JVJKQJFQEQRNRY-GFCCVEGCSA-N	-1	3	250.341	4.830	10	0	in-vitro	CJAEHM
CCC1=C(c2ccccc2)[C@@H](C)c2cc([O-])ccc21	ZINC000004655163	560199506	/nfs/dbraw/zinc/19/95/06/560199506.db2.gz	JVJKQJFQEQRNRY-LBPRGKRZSA-N	-1	3	250.341	4.830	10	0	in-vitro	CJAEHM
CCC1=C(c2ccc([O-])cc2)[C@H](C)c2ccccc21	ZINC000004655164	560199511	/nfs/dbraw/zinc/19/95/11/560199511.db2.gz	CFWDRXXJJXLZOZ-GFCCVEGCSA-N	-1	3	250.341	4.830	10	0	in-vitro	CJAEHM
CCC1=C(c2ccc([O-])cc2)[C@@H](C)c2ccccc21	ZINC000004655165	169994000	/nfs/dbraw/zinc/99/40/00/169994000.db2.gz	CFWDRXXJJXLZOZ-LBPRGKRZSA-N	-1	3	250.341	4.830	10	0	in-vitro	CJAEHM
CCC1=C(c2ccc(O)cc2)[C@H](C)c2cc([O-])ccc21	ZINC000004655166	560199491	/nfs/dbraw/zinc/19/94/91/560199491.db2.gz	BBOUFHMHCBZYJJ-LLVKDONJSA-N	-1	3	266.340	4.536	10	0	in-vitro	CJAEHM
CCC1=C(c2ccc(O)cc2)[C@@H](C)c2cc([O-])ccc21	ZINC000004655167	169993806	/nfs/dbraw/zinc/99/38/06/169993806.db2.gz	BBOUFHMHCBZYJJ-NSHDSACASA-N	-1	3	266.340	4.536	10	0	in-vitro	CJAEHM
C/C=C/c1ccc2oc(-c3ccc(OC)cc3[O-])cc2c1	ZINC000005132937	170069502	/nfs/dbraw/zinc/06/95/02/170069502.db2.gz	VSRAHYZSNLDBKG-ONEGZZNKSA-N	-1	3	280.323	4.847	10	0	in-vitro	CJAEHM
CCCC/C(=C/c1ccc2cccnc2c1[O-])CC	ZINC000005138821	170069988	/nfs/dbraw/zinc/06/99/88/170069988.db2.gz	KVXNGMXXHWBFRX-OUKQBFOZSA-N	-1	3	255.361	4.924	10	0		CJAEHM
Cc1ccc([O-])c(Cc2cc(C)cc(C(C)(C)C)c2O)c1	ZINC000005379925	170091435	/nfs/dbraw/zinc/09/14/35/170091435.db2.gz	AQADVFQTWTZWGB-UHFFFAOYSA-N	-1	3	284.399	4.603	10	0		CJAEHM
CCCCc1c([O-])c2ccoc2c(OC)c1CCCC	ZINC000005831755	170144728	/nfs/dbraw/zinc/14/47/28/170144728.db2.gz	XIXZNMIOSSSXPJ-UHFFFAOYSA-N	-1	3	276.376	4.832	10	0		CJAEHM
[O-]c1ccc(SC(F)(F)F)cc1SC(F)(F)F	ZINC000012505230	567863705	/nfs/dbraw/zinc/86/37/05/567863705.db2.gz	NXKYFYVOGSFZQZ-UHFFFAOYSA-N	-1	3	294.241	4.616	10	0		CJAEHM
CCC1=C(c2ccc(O)cc2)[C@@H](CC)c2cc([O-])ccc21	ZINC000013555421	581093252	/nfs/dbraw/zinc/09/32/52/581093252.db2.gz	UITYJROEGAFMRK-INIZCTEOSA-N	-1	3	280.367	4.926	10	0		CJAEHM
CCC1=C(c2ccc(O)cc2)[C@H](CC)c2cc([O-])ccc21	ZINC000013555427	581093285	/nfs/dbraw/zinc/09/32/85/581093285.db2.gz	UITYJROEGAFMRK-MRXNPFEDSA-N	-1	3	280.367	4.926	10	0		CJAEHM
CCc1oc2ccccc2c1C(=O)c1cc(C)c([O-])c(C)c1	ZINC000013586708	581091813	/nfs/dbraw/zinc/09/18/13/581091813.db2.gz	QDFXYZHYSUTYPW-UHFFFAOYSA-N	-1	3	294.350	4.549	10	0		CJAEHM
[O-]c1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1	ZINC000022058182	171351412	/nfs/dbraw/zinc/35/14/12/171351412.db2.gz	OFKRFZKNGJTQCG-HKWRFOASSA-N	-1	3	272.347	4.981	10	0		CJAEHM
[O-]c1cc2ccccc2cc1-c1nc2ccccc2s1	ZINC000034242049	171835388	/nfs/dbraw/zinc/83/53/88/171835388.db2.gz	AXQGQDRAEYMDQB-UHFFFAOYSA-N	-1	3	277.348	4.822	10	0		CJAEHM
[O-]c1ccc(F)cc1-c1ccc(-c2ccccc2)cc1	ZINC000038648029	174150525	/nfs/dbraw/zinc/15/05/25/174150525.db2.gz	ZUSSHEMHAGPZTJ-UHFFFAOYSA-N	-1	3	264.299	4.865	10	0		CJAEHM
COc1c(Cl)cc2c(Cl)ccc(Cl)c2c1[O-]	ZINC000039082709	174163025	/nfs/dbraw/zinc/16/30/25/174163025.db2.gz	MJBQNEXXERPTDO-UHFFFAOYSA-N	-1	3	277.534	4.514	10	0		CJAEHM
[O-]c1ccc(-c2ccc(Cl)c(Cl)c2)c(F)c1	ZINC000065341084	175710957	/nfs/dbraw/zinc/71/09/57/175710957.db2.gz	KKEQJYRJWGGSLS-UHFFFAOYSA-N	-1	3	257.091	4.505	10	0		CJAEHM
[O-]c1cc(-c2cccc(OCc3ccccc3)c2)ccc1F	ZINC000065341210	175711526	/nfs/dbraw/zinc/71/15/26/175711526.db2.gz	GYFQFHAJMNBUHV-UHFFFAOYSA-N	-1	3	294.325	4.777	10	0		CJAEHM
CSc1ccc(-c2cc([O-])cc(Br)c2)cc1	ZINC000065343841	175713602	/nfs/dbraw/zinc/71/36/02/175713602.db2.gz	ONGVSNHKVLNDDA-UHFFFAOYSA-N	-1	3	295.201	4.544	10	0		CJAEHM
[O-]c1cc(Br)cc(-c2ccc3ccccc3c2)c1	ZINC000065343859	175713936	/nfs/dbraw/zinc/71/39/36/175713936.db2.gz	FUCHZZQEHQKQDO-UHFFFAOYSA-N	-1	3	299.167	4.975	10	0		CJAEHM
Cc1cc(C)cc(-c2cc([O-])cc(C(F)(F)F)c2)c1	ZINC000065344049	175714016	/nfs/dbraw/zinc/71/40/16/175714016.db2.gz	BAODOCAGUHCJIX-UHFFFAOYSA-N	-1	3	266.262	4.695	10	0		CJAEHM
[O-]c1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1	ZINC000065344116	175713734	/nfs/dbraw/zinc/71/37/34/175713734.db2.gz	BWUNOZCGJMKTEI-UHFFFAOYSA-N	-1	3	272.653	4.731	10	0		CJAEHM
Cc1cc2oc(C(=O)[O-])c(C(C)(C)C)c2c(C)c1Cl	ZINC000077071660	177187689	/nfs/dbraw/zinc/18/76/89/177187689.db2.gz	GUHPCALROCEXJY-UHFFFAOYSA-N	-1	3	280.751	4.699	10	0		CJAEHM
Cc1ccccc1-c1cc(Cl)c2cccnc2c1[O-]	ZINC000090398791	179981116	/nfs/dbraw/zinc/98/11/16/179981116.db2.gz	TWHZEMUOALRLCB-UHFFFAOYSA-N	-1	3	269.731	4.569	10	0		CJAEHM
Cc1c(C(C)(C)C)ccc([O-])c1Oc1ccccc1	ZINC000090712775	180028373	/nfs/dbraw/zinc/02/83/73/180028373.db2.gz	BVFPQCUMPQVLCU-UHFFFAOYSA-N	-1	3	256.345	4.790	10	0		CJAEHM
Cc1ccc([C@H](C)NCc2cccc([O-])c2Cl)c(C)c1	ZINC000328505342	333534147	/nfs/dbraw/zinc/53/41/47/333534147.db2.gz	ZKSNTWLBSPWBQO-ZDUSSCGKSA-N	-1	3	289.806	4.513	10	0		CJAEHM
C[C@H](NCc1cccc([O-])c1Cl)c1ccc(Cl)cc1	ZINC000381351984	336059882	/nfs/dbraw/zinc/05/98/82/336059882.db2.gz	FDLRQEHSZQVNSU-JTQLQIEISA-N	-1	3	296.197	4.550	10	0		CJAEHM
C[Si](C)(C)CCSCc1cc([O-])ccc1Cl	ZINC000725246028	567908226	/nfs/dbraw/zinc/90/82/26/567908226.db2.gz	QDSVECZBRRWCPK-UHFFFAOYSA-N	-1	3	274.889	4.617	10	0		CJAEHM