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(C=C(O)c1ccc(OCc2ccccc2)cc1)c1ccccc1	ZINC000100103011	219091671	/nfs/dbraw/zinc/09/16/71/219091671.db2.gz	IMICPPMXUFKEQQ-UHFFFAOYSA-N	0	2	330.383	4.721	10	0		EJAELN
Cc1cc(Oc2c(C)oc3cc(O)ccc3c2=O)cc(C)c1Cl	ZINC000004227869	210149178	/nfs/dbraw/zinc/14/91/78/210149178.db2.gz	UAQRCVCEUOIQSE-UHFFFAOYSA-N	0	2	330.767	4.870	10	0		EJAELN
O=c1c(Oc2ccccc2-c2ccccc2)coc2cc(O)ccc12	ZINC000004227921	210148505	/nfs/dbraw/zinc/14/85/05/210148505.db2.gz	GEEXENGYRQEMRL-UHFFFAOYSA-N	0	2	330.339	4.958	10	0		EJAELN
Fc1ccc2nc(Nc3nc(-c4ccccn4)cs3)sc2c1	ZINC000004061297	210110509	/nfs/dbraw/zinc/11/05/09/210110509.db2.gz	CKLUPEBKNDQOFT-UHFFFAOYSA-N	0	2	328.397	4.698	10	0		EJAELN
CCc1cc2c(=O)c(Oc3ccc(Cl)cc3)c(C)oc2cc1O	ZINC000003885770	210083739	/nfs/dbraw/zinc/08/37/39/210083739.db2.gz	BQPVYWLZTDSRRI-UHFFFAOYSA-N	0	2	330.767	4.815	10	0		EJAELN
O=c1cc(O)c(-c2ccccc2)c2oc(-c3ccccc3)cc(O)c1-2	ZINC000090711751	201373401	/nfs/dbraw/zinc/37/34/01/201373401.db2.gz	RGLIOSJKHPSHPA-UHFFFAOYSA-N	0	2	330.339	4.538	10	0		EJAELN
O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2-c1ccccc1	ZINC000090711751	201373404	/nfs/dbraw/zinc/37/34/04/201373404.db2.gz	RGLIOSJKHPSHPA-UHFFFAOYSA-N	0	2	330.339	4.538	10	0		EJAELN
S=c1[nH]nc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)o1	ZINC000003122453	564090655	/nfs/dbraw/zinc/09/06/55/564090655.db2.gz	VQYOZCLPFQCHFO-UHFFFAOYSA-N	0	2	332.388	4.523	10	0		EJAELN
COc1ccc2sc(Nc3nc(-c4ccccn4)cs3)nc2c1	ZINC000004272550	210157098	/nfs/dbraw/zinc/15/70/98/210157098.db2.gz	QTYLNWUKUKGOKB-UHFFFAOYSA-N	0	2	340.433	4.567	10	0		EJAELN
O=C([O-])c1c[nH+]c2c(cccc2C(F)(F)F)c1NCc1ccccc1	ZINC000004226204	210147435	/nfs/dbraw/zinc/14/74/35/210147435.db2.gz	MEKMYXMORLIGQI-UHFFFAOYSA-N	0	2	346.308	4.564	10	0		EJAELN
Brc1cccc(Nc2cncc(-c3ccncc3)c2)c1	ZINC000035899679	201388999	/nfs/dbraw/zinc/38/89/99/201388999.db2.gz	UBOMRLPHVBMOBO-UHFFFAOYSA-N	0	2	326.197	4.650	10	0		EJAELN
CCCc1cc(Br)c2cc(OC(F)(F)F)ccc2n1	ZINC000036075712	201389007	/nfs/dbraw/zinc/38/90/07/201389007.db2.gz	JDXACNASYVTCCD-UHFFFAOYSA-N	0	2	334.135	4.848	10	0		EJAELN
CCCc1cc(Br)c2ccc(OC(F)(F)F)cc2n1	ZINC000036075714	201388906	/nfs/dbraw/zinc/38/89/06/201388906.db2.gz	FAEJMOBJTLSKFL-UHFFFAOYSA-N	0	2	334.135	4.848	10	0		EJAELN
S=C(Nc1cc(Cl)nc(Cl)c1)Oc1ccc(Cl)cc1	ZINC000198785111	241036921	/nfs/dbraw/zinc/03/69/21/241036921.db2.gz	KYBMBBVHRZABAQ-UHFFFAOYSA-N	0	2	333.627	4.818	10	0		EJAELN
Fc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc21	ZINC000004061285	210110911	/nfs/dbraw/zinc/11/09/11/210110911.db2.gz	XTTBSNIQZFVWQX-UHFFFAOYSA-N	0	2	328.397	4.698	10	0		EJAELN
COc1ccc2nc(Nc3nc(-c4ccccn4)cs3)sc2c1	ZINC000004061290	210110321	/nfs/dbraw/zinc/11/03/21/210110321.db2.gz	YKUJXNYSRKUYFQ-UHFFFAOYSA-N	0	2	340.433	4.567	10	0		EJAELN
CC[C@H](Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1	ZINC000034549365	201388915	/nfs/dbraw/zinc/38/89/15/201388915.db2.gz	NEKULYKCZPJMMJ-LBPRGKRZSA-N	0	2	327.762	4.603	10	0	in-vitro	EJAELN
O=C(Nc1cccc(Cl)c1)c1[nH]nc2c1CSc1ccccc1-2	ZINC000006723775	564096436	/nfs/dbraw/zinc/09/64/36/564096436.db2.gz	ZSBVJKVNJZKMJC-UHFFFAOYSA-N	0	2	341.823	4.588	10	0		EJAELN
Cc1ccccc1Oc1c(=O)c2ccc(O)cc2oc1C(F)(F)F	ZINC000004227889	210148897	/nfs/dbraw/zinc/14/88/97/210148897.db2.gz	NGWMVMPNCUAPIW-UHFFFAOYSA-N	0	2	336.265	4.618	10	0		EJAELN
O=C([O-])c1ccc2c(c1)[nH+]c(C1CCCCC1)n2Cc1ccccc1	ZINC000040417807	213301666	/nfs/dbraw/zinc/30/16/66/213301666.db2.gz	PDIDAJCGATZGDW-UHFFFAOYSA-N	0	2	334.419	4.831	10	0		EJAELN
COc1ccc(Oc2coc3cc(O)ccc3c2=O)c(C(C)(C)C)c1	ZINC000004227924	210149189	/nfs/dbraw/zinc/14/91/89/210149189.db2.gz	VHNQAJCJKAKTFN-UHFFFAOYSA-N	0	2	340.375	4.597	10	0		EJAELN
COc1cccc2sc(Nc3nc(-c4ccncc4)cs3)nc21	ZINC000004061281	210110068	/nfs/dbraw/zinc/11/00/68/210110068.db2.gz	RBQRHNVNUNTQNU-UHFFFAOYSA-N	0	2	340.433	4.567	10	0		EJAELN