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-])c1cccc(/N=N/N2CCCCCC2)c1	ZINC000000033413	342670338	/nfs/dbraw/zinc/67/03/38/342670338.db2.gz	OJPBMUUZGYZDMW-CCEZHUSRSA-N	-1	0	247.298	3.260	50	10		BGCARM
O=C([O-])c1ccc(/N=N/N2CCCCCC2)cc1	ZINC000000080378	344251096	/nfs/dbraw/zinc/25/10/96/344251096.db2.gz	QOVOHIYHKSUPHO-CCEZHUSRSA-N	-1	0	247.298	3.260	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000000106734	383827708	/nfs/dbraw/zinc/82/77/08/383827708.db2.gz	CCMUJMMWBQLMFO-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000000216866	178345240	/nfs/dbraw/zinc/34/52/40/178345240.db2.gz	YNFCEUIZSXIFCE-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1ccc(C)n1-c1cc(Cl)ccc1C(=O)[O-]	ZINC000000244523	342681219	/nfs/dbraw/zinc/68/12/19/342681219.db2.gz	SMDDZIZWJYBWSI-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)[O-]	ZINC000000244527	178509554	/nfs/dbraw/zinc/50/95/54/178509554.db2.gz	ZUNYXBKRXNVRLI-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
Cc1ccc(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000000244529	342681113	/nfs/dbraw/zinc/68/11/13/342681113.db2.gz	LNAUEAGSVLKUBO-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
Cc1ccc(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000000266931	342681677	/nfs/dbraw/zinc/68/16/77/342681677.db2.gz	KUCNTTWMSZKVRI-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1ccc(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000000266933	383848315	/nfs/dbraw/zinc/84/83/15/383848315.db2.gz	ALKSDHRUSDCLSX-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1ccc(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000000266939	342681530	/nfs/dbraw/zinc/68/15/30/342681530.db2.gz	RDTROARYSPBJMT-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000000266941	342681712	/nfs/dbraw/zinc/68/17/12/342681712.db2.gz	ZKMKAGTWPRBWAK-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
Cc1ccc(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000000266944	383846900	/nfs/dbraw/zinc/84/69/00/383846900.db2.gz	WFLCJVLXABNRGL-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1oc(C(=O)[O-])cc1COc1ccc(C)cc1	ZINC000000276423	383851339	/nfs/dbraw/zinc/85/13/39/383851339.db2.gz	AWXJBCZMGZDXCG-UHFFFAOYSA-N	-1	0	246.262	3.174	50	10		BGCARM
CC(C)(C)c1cc(O)c(O)c(Br)c1	ZINC000000285747	188272413	/nfs/dbraw/zinc/27/24/13/188272413.db2.gz	XGWHVLKOISKVLR-UHFFFAOYSA-N	-1	0	245.116	3.158	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000002840314	179241047	/nfs/dbraw/zinc/24/10/47/179241047.db2.gz	UTVAQKWEKCHEIW-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000003220747	179000492	/nfs/dbraw/zinc/00/04/92/179000492.db2.gz	IOJALCGKYLGWBU-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccccc1	ZINC000003888735	342739195	/nfs/dbraw/zinc/73/91/95/342739195.db2.gz	NXBJULFMODDSSF-CMDGGOBGSA-N	-1	0	241.290	3.192	50	10		BGCARM
O=C([O-])/C=C/c1ccc(N2CCCCCC2)cc1	ZINC000003888833	384033847	/nfs/dbraw/zinc/03/38/47/384033847.db2.gz	WTNCAFCPWANAPH-JXMROGBWSA-N	-1	0	245.322	3.165	50	10		BGCARM
Cc1cc(CC(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000003888870	178345025	/nfs/dbraw/zinc/34/50/25/178345025.db2.gz	UUVCVTSSMHFGDP-UHFFFAOYSA-N	-1	0	243.306	3.030	50	10		BGCARM
Cc1noc(C)c1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000004315690	180462291	/nfs/dbraw/zinc/46/22/91/180462291.db2.gz	OURHBHSLVNVZAM-BUHFOSPRSA-N	-1	0	245.238	3.405	50	10		BGCARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(C)cc1	ZINC000004323388	178360299	/nfs/dbraw/zinc/36/02/99/178360299.db2.gz	YPPUPVSIRZPXDQ-BUHFOSPRSA-N	-1	0	230.271	3.158	50	10		BGCARM
CCN(CC)/N=N/c1cccc(/C=C/C(=O)[O-])c1	ZINC000004575459	169744457	/nfs/dbraw/zinc/74/44/57/169744457.db2.gz	RLCYTOADHMTKFA-IDRAWEHWSA-N	-1	0	247.298	3.125	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(C)cc1C	ZINC000006572865	178344734	/nfs/dbraw/zinc/34/47/34/178344734.db2.gz	LVMRBXMTYKRYQF-UHFFFAOYSA-N	-1	0	243.306	3.409	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cc(C)ccc1C	ZINC000006573300	384158577	/nfs/dbraw/zinc/15/85/77/384158577.db2.gz	FENKKPCJJMBWKG-UHFFFAOYSA-N	-1	0	243.306	3.409	50	10		BGCARM
CCOC(=O)c1sc(-c2ccccc2)cc1[O-]	ZINC000009596220	170310980	/nfs/dbraw/zinc/31/09/80/170310980.db2.gz	UYGIKZWNROPVTI-UHFFFAOYSA-N	-1	0	248.303	3.297	50	10		BGCARM
Cc1n[nH]c(C)c1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000018123062	384852774	/nfs/dbraw/zinc/85/27/74/384852774.db2.gz	IIMBRQFSIBKCRX-FOCLMDBBSA-N	-1	0	244.254	3.140	50	10		BGCARM
Cc1ccnc(NCc2cc(Cl)ccc2O)c1	ZINC000018142989	384499805	/nfs/dbraw/zinc/49/98/05/384499805.db2.gz	LGOMLUARCLNFCU-UHFFFAOYSA-N	-1	0	248.713	3.361	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(C)c(C)c1	ZINC000019949257	178344413	/nfs/dbraw/zinc/34/44/13/178344413.db2.gz	FBBCNUFBMYCECG-UHFFFAOYSA-N	-1	0	243.306	3.409	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cc(C)cc(C)c1	ZINC000019949273	397962183	/nfs/dbraw/zinc/96/21/83/397962183.db2.gz	URQKYHJWPFGROI-UHFFFAOYSA-N	-1	0	243.306	3.409	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(C)c1C	ZINC000019949290	179000248	/nfs/dbraw/zinc/00/02/48/179000248.db2.gz	PRFFGCVFEMKDGY-UHFFFAOYSA-N	-1	0	243.306	3.409	50	10		BGCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(Cl)c1	ZINC000019949328	177822569	/nfs/dbraw/zinc/82/25/69/177822569.db2.gz	SNPBYQCWMKALIT-UHFFFAOYSA-N	-1	0	249.697	3.446	50	10		BGCARM
CCc1cccc(-n2c(C)cc(C(=O)[O-])c2C)c1	ZINC000020284699	384610205	/nfs/dbraw/zinc/61/02/05/384610205.db2.gz	YNONIBRUXQZDDU-UHFFFAOYSA-N	-1	0	243.306	3.355	50	10		BGCARM
CCc1ccccc1-n1c(C)cc(C(=O)[O-])c1C	ZINC000020284825	384610508	/nfs/dbraw/zinc/61/05/08/384610508.db2.gz	PKFCHFYBFNEAEJ-UHFFFAOYSA-N	-1	0	243.306	3.355	50	10		BGCARM
CCc1ccc(-n2c(C)cc(C(=O)[O-])c2C)cc1	ZINC000020285212	342980561	/nfs/dbraw/zinc/98/05/61/342980561.db2.gz	WOHUBFPVLCXMLQ-UHFFFAOYSA-N	-1	0	243.306	3.355	50	10		BGCARM
Cc1ccc(C)n1-c1ccc(C)cc1C(=O)[O-]	ZINC000021519496	178345903	/nfs/dbraw/zinc/34/59/03/178345903.db2.gz	UPJXJUMMLBLTDO-UHFFFAOYSA-N	-1	0	229.279	3.101	50	10		BGCARM
Cc1ccc(CC(=O)[O-])n1-c1ccc(Cl)cc1	ZINC000033824721	343261565	/nfs/dbraw/zinc/26/15/65/343261565.db2.gz	LYHSQZDEZODDLO-UHFFFAOYSA-N	-1	0	249.697	3.066	50	10		BGCARM
COC(=O)c1sc2ccc(Cl)cc2c1[O-]	ZINC000034475823	342881496	/nfs/dbraw/zinc/88/14/96/342881496.db2.gz	SBCZYSMVZRMPCF-UHFFFAOYSA-N	-1	0	242.683	3.047	50	10		BGCARM
Cc1n[nH]c(C)c1/N=N/c1ccccc1C(=O)[O-]	ZINC000039327463	387630339	/nfs/dbraw/zinc/63/03/39/387630339.db2.gz	CKRXJGQEJPHSNS-FOCLMDBBSA-N	-1	0	244.254	3.140	50	10		BGCARM
Cc1noc(C)c1N=Nc1ccccc1C(=O)[O-]	ZINC000254071124	642690261	/nfs/dbraw/zinc/69/02/61/642690261.db2.gz	QBXCMPGTAQFTFT-UHFFFAOYSA-N	-1	0	245.238	3.405	50	10		BGCARM