smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c([O-])c(Cl)c1	1679775	342957539	/nfs/dbraw/zinc/95/75/39/342957539.db2.gz	UYQJDLQDEOPDJX-UHFFFAOYSA-N	-1	3	156.612	2.662	40	0		AFABHM
Cc1ccc(C(C)C)c(C=O)c1[O-]	14982917	343040567	/nfs/dbraw/zinc/04/05/67/343040567.db2.gz	LLVQQQQUKUEOOW-UHFFFAOYSA-N	-1	3	178.231	2.637	40	0		AFABHM
Cc1c(F)cc2c(C)ccnc2c1[O-]	85399631	343643651	/nfs/dbraw/zinc/64/36/51/343643651.db2.gz	HWELMYSWZRRENZ-UHFFFAOYSA-N	-1	3	191.205	2.696	40	0		AFABHM
CC(=O)c1cc(C)c(Cl)cc1[O-]	38874484	166316610	/nfs/dbraw/zinc/31/66/10/166316610.db2.gz	GNXYSNCDSGDLCN-UHFFFAOYSA-N	-1	3	184.622	2.557	40	0		AFABHM
CC(C)(C)c1ccc([O-])cc1F	95709877	166384189	/nfs/dbraw/zinc/38/41/89/166384189.db2.gz	CCFDOQQOAVOIIP-UHFFFAOYSA-N	-1	3	168.211	2.829	40	0		AFABHM
CC(C)(C)c1ccc([O-])c(F)c1	34621912	166384839	/nfs/dbraw/zinc/38/48/39/166384839.db2.gz	ORLJSROIQHIMQM-UHFFFAOYSA-N	-1	3	168.211	2.829	40	0		AFABHM
CC(C)(C)c1ccc2occ([O-])c2c1	35652501	166385373	/nfs/dbraw/zinc/38/53/73/166385373.db2.gz	IGHABWOKBPUCCX-UHFFFAOYSA-N	-1	3	190.242	2.559	40	0		AFABHM
CC(C)(C)c1cccc([O-])c1F	95709904	166386407	/nfs/dbraw/zinc/38/64/07/166386407.db2.gz	WURPKFBBXRQCOE-UHFFFAOYSA-N	-1	3	168.211	2.829	40	0	in-vitro	AFABHM
CCCc1cc(Cl)c([O-])cc1O	1675248	167101798	/nfs/dbraw/zinc/10/17/98/167101798.db2.gz	BVQLOFHRRBYYLL-UHFFFAOYSA-N	-1	3	186.638	2.704	40	0		AFABHM
CSCc1cc(Cl)ccc1[O-]	1869917	168304728	/nfs/dbraw/zinc/30/47/28/168304728.db2.gz	SPBQLFCSRKEEAB-UHFFFAOYSA-N	-1	3	188.679	2.909	40	0		AFABHM
CSc1c([O-])cccc1Cl	90413337	168308961	/nfs/dbraw/zinc/30/89/61/168308961.db2.gz	VORCVBCBFKNSLT-UHFFFAOYSA-N	-1	3	174.652	2.768	40	0		AFABHM
CSc1ccc([O-])cc1Cl	34161612	168311524	/nfs/dbraw/zinc/31/15/24/168311524.db2.gz	CYUGXXDSGNFQDT-UHFFFAOYSA-N	-1	3	174.652	2.768	40	0		AFABHM
Cc1oc2c([O-])cccc2c1C	1657318	169009281	/nfs/dbraw/zinc/00/92/81/169009281.db2.gz	WUDQPDHAFHIDFS-UHFFFAOYSA-N	-1	3	162.188	2.755	40	0		AFABHM
Fc1cccc2ccc(=S)[n-]c12	72207216	169088369	/nfs/dbraw/zinc/08/83/69/169088369.db2.gz	LGTGBSKXYVPJQA-UHFFFAOYSA-N	-1	3	179.219	2.663	40	0		AFABHM
O=C1c2ccccc2-c2cccc([O-])c21	158025	169393695	/nfs/dbraw/zinc/39/36/95/169393695.db2.gz	QUUNMPSDKIURJD-UHFFFAOYSA-N	-1	3	196.205	2.604	40	0		AFABHM
[O-]c1ccc(Cl)c2[nH]ccc12	44184822	171088587	/nfs/dbraw/zinc/08/85/87/171088587.db2.gz	DKGLLKSEKJTDBK-UHFFFAOYSA-N	-1	3	167.595	2.527	40	0		AFABHM
[O-]c1ccc(Cl)cc1-c1cnoc1	68675312	171105082	/nfs/dbraw/zinc/10/50/82/171105082.db2.gz	OOAQKKSEGKYSFF-UHFFFAOYSA-N	-1	3	195.605	2.701	40	0		AFABHM
CC(C)c1cccc([O-])c1F	79057845	171121437	/nfs/dbraw/zinc/12/14/37/171121437.db2.gz	HYBMZTXUJPJEDC-UHFFFAOYSA-N	-1	3	154.184	2.655	40	0		AFABHM
[O-]c1ccc(Cl)c(C(F)F)c1	238716672	325633410	/nfs/dbraw/zinc/63/34/10/325633410.db2.gz	NIOPSTKMOVSBME-UHFFFAOYSA-N	-1	3	178.565	2.983	40	0		AFABHM
CC1(C)C(=S)[N-]c2ccccc21	86775	342926379	/nfs/dbraw/zinc/92/63/79/342926379.db2.gz	GXFQVSLTTOCGBF-UHFFFAOYSA-N	-1	3	177.272	2.717	40	0		AFABHM
Cc1ccc([O-])c2occ(C)c12	1707823	342961101	/nfs/dbraw/zinc/96/11/01/342961101.db2.gz	VCKJVUHCASHGIN-UHFFFAOYSA-N	-1	3	162.188	2.755	40	0		AFABHM
COc1c([O-])ccc(Cl)c1Cl	1854013	342965049	/nfs/dbraw/zinc/96/50/49/342965049.db2.gz	YQDGZRGOCDIQJQ-UHFFFAOYSA-N	-1	3	193.029	2.708	40	0		AFABHM
CCc1cccc(Cl)c1[O-]	3613962	342982897	/nfs/dbraw/zinc/98/28/97/342982897.db2.gz	XNJCFOQHSHYSLG-UHFFFAOYSA-N	-1	3	156.612	2.608	40	0		AFABHM
Cc1cc(C)c(Cl)c([O-])c1	5765108	343008009	/nfs/dbraw/zinc/00/80/09/343008009.db2.gz	ZXPLGLMEXWSLCX-UHFFFAOYSA-N	-1	3	156.612	2.662	40	0		AFABHM
Cc1cc2ccccc2[n-]c1=S	13999124	343038370	/nfs/dbraw/zinc/03/83/70/343038370.db2.gz	NXDFYRFGCYTYPB-UHFFFAOYSA-N	-1	3	175.256	2.832	40	0		AFABHM
Cc1ccc(Cl)c([O-])c1C	39125546	343202685	/nfs/dbraw/zinc/20/26/85/343202685.db2.gz	XBBCPPPRFJXONF-UHFFFAOYSA-N	-1	3	156.612	2.662	40	0		AFABHM
CCCc1ccc2oc(C)c([O-])c2c1	53331416	343314349	/nfs/dbraw/zinc/31/43/49/343314349.db2.gz	AHBYIZOQVKALIA-MRVPVSSYSA-N	-1	3	190.242	2.603	40	0		AFABHM
Cc1ccc2c(C)c(F)cc([O-])c2n1	85399581	343643543	/nfs/dbraw/zinc/64/35/43/343643543.db2.gz	YNLDLAUHFRFOBQ-UHFFFAOYSA-N	-1	3	191.205	2.696	40	0		AFABHM
Cc1ccc2cc(F)c(C)c([O-])c2n1	85399629	343643560	/nfs/dbraw/zinc/64/35/60/343643560.db2.gz	FHWFRJQZLGTLSF-UHFFFAOYSA-N	-1	3	191.205	2.696	40	0		AFABHM
Cc1ccc2c([O-])c(C)cc(F)c2n1	85399720	343643579	/nfs/dbraw/zinc/64/35/79/343643579.db2.gz	ZRXSEIAOOIAQOA-UHFFFAOYSA-N	-1	3	191.205	2.696	40	0		AFABHM
CCc1c([O-])ccc(F)c1Cl	91690035	343678125	/nfs/dbraw/zinc/67/81/25/343678125.db2.gz	DKURNKZMXNLSLP-UHFFFAOYSA-N	-1	3	174.602	2.747	40	0		AFABHM
C[C@H]1C(=S)[N-]c2ccccc21	110768738	343753837	/nfs/dbraw/zinc/75/38/37/343753837.db2.gz	YRWULEXTRKBHCH-ZCFIWIBFSA-N	-1	3	163.245	2.543	40	0		AFABHM
[O-]c1ccc(Cl)c2cc[nH]c12	238716967	344821186	/nfs/dbraw/zinc/82/11/86/344821186.db2.gz	FBNJAKSTGDZHKA-UHFFFAOYSA-N	-1	3	167.595	2.527	40	0		AFABHM
[O-]c1ccc2oc(=S)sc2c1	498952	351280714	/nfs/dbraw/zinc/28/07/14/351280714.db2.gz	GXVGNYDHRJRRRL-UHFFFAOYSA-N	-1	3	184.241	2.929	40	0		AFABHM
[O-]c1cccc(/C=C/c2ccncc2)c1	13284102	351367510	/nfs/dbraw/zinc/36/75/10/351367510.db2.gz	FIPNDRODDFDFAS-SNAWJCMRSA-N	-1	3	197.237	2.958	40	0		AFABHM
[O-]c1cc(Cl)c2cc[nH]c2c1	14983731	351377038	/nfs/dbraw/zinc/37/70/38/351377038.db2.gz	VBNVLDNOSWHQRT-UHFFFAOYSA-N	-1	3	167.595	2.527	40	0		AFABHM
Oc1cccc2ccc(=S)[n-]c12	16925931	351379789	/nfs/dbraw/zinc/37/97/89/351379789.db2.gz	UJASZVHDIGKVOK-UHFFFAOYSA-N	-1	3	177.228	2.603	40	0		AFABHM
C[C@@H]1C(=S)[N-]c2ccccc21	34349084	351438706	/nfs/dbraw/zinc/43/87/06/351438706.db2.gz	YRWULEXTRKBHCH-LURJTMIESA-N	-1	3	163.245	2.543	40	0		AFABHM
[O-]c1ccc2ccccc2c1F	38234100	351480224	/nfs/dbraw/zinc/48/02/24/351480224.db2.gz	UZUCMBNQFISSPB-UHFFFAOYSA-N	-1	3	162.163	2.685	40	0		AFABHM
[O-]c1c(Cl)cc(O)c2ccccc12	100253384	351693557	/nfs/dbraw/zinc/69/35/57/351693557.db2.gz	PIYNJSHPUFMGLC-UHFFFAOYSA-N	-1	3	194.617	2.904	40	0		AFABHM
CC(C)CC1(c2cc(=O)[nH][n-]2)CCC1	575422629	352198944	/nfs/dbraw/zinc/19/89/44/352198944.db2.gz	IFWUZLPWWVGLEZ-UHFFFAOYSA-N	-1	3	194.278	2.583	40	0		AFABHM
[O-]c1cccc2cccc(F)c12	35940016	375295825	/nfs/dbraw/zinc/29/58/25/375295825.db2.gz	PGUGLDZOLIXVEG-UHFFFAOYSA-N	-1	3	162.163	2.685	40	0		AFABHM