smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([O-])c(C(=O)c2ccccc2Cl)c1	ZINC000000058228	342672167	/nfs/dbraw/zinc/67/21/67/342672167.db2.gz	BXAARESMPHIJGG-UHFFFAOYSA-N	-1	1	246.693	3.585	50	0		BHAAMM
O=c1cc(-c2ccc(C3CCCCC3)cc2)[n-][nH]1	ZINC000000107876	183255001	/nfs/dbraw/zinc/25/50/01/183255001.db2.gz	UPDLUMMMYBRYMJ-UHFFFAOYSA-N	-1	1	242.322	3.830	50	0		BHAAMM
[O-]c1cc(Oc2ccccc2)ccc1Cl	ZINC000000293592	183261285	/nfs/dbraw/zinc/26/12/85/183261285.db2.gz	VLMNPPFHSLRUKD-UHFFFAOYSA-N	-1	1	220.655	3.838	50	0		BHAAMM
CCc1c(Cl)c(C)cc([O-])c1Cl	ZINC000000393690	171743223	/nfs/dbraw/zinc/74/32/23/171743223.db2.gz	NOEYLPXWMIBMCJ-UHFFFAOYSA-N	-1	1	205.084	3.570	50	0		BHAAMM
CCc1cc([O-])c(Cl)c(C)c1Cl	ZINC000000393691	342686056	/nfs/dbraw/zinc/68/60/56/342686056.db2.gz	GMHTUWZTSIUNIM-UHFFFAOYSA-N	-1	1	205.084	3.570	50	0		BHAAMM
[O-]c1ccc(-c2ccccc2)cc1Cl	ZINC000000394685	183264532	/nfs/dbraw/zinc/26/45/32/183264532.db2.gz	BZWMYDJJDBFAPE-UHFFFAOYSA-N	-1	1	204.656	3.713	50	0		BHAAMM
CC[C@H](C(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000000500323	171241446	/nfs/dbraw/zinc/24/14/46/171241446.db2.gz	YOUWVLSTAZVPHM-HNNXBMFYSA-N	-1	1	240.302	3.769	50	0	in-vitro	BHAAMM
CC[C@@H](C(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000000500324	342689228	/nfs/dbraw/zinc/68/92/28/342689228.db2.gz	YOUWVLSTAZVPHM-OAHLLOKOSA-N	-1	1	240.302	3.769	50	0	in-vitro	BHAAMM
S=c1[n-]nc(-c2ccco2)n1C1CCCCC1	ZINC000000535253	183314371	/nfs/dbraw/zinc/31/43/71/183314371.db2.gz	HUMGDSMVFUPLEV-UHFFFAOYSA-N	-1	1	249.339	3.706	50	0		BHAAMM
Cc1ccc([O-])c(C(=O)c2ccc(Cl)cc2)c1	ZINC000001712758	398022187	/nfs/dbraw/zinc/02/21/87/398022187.db2.gz	GANGXBRARYTWTE-UHFFFAOYSA-N	-1	1	246.693	3.585	50	0		BHAAMM
Cc1ccc(C=C2SC(=S)[N-]C2=O)c(C)c1	ZINC000002536911	178356510	/nfs/dbraw/zinc/35/65/10/178356510.db2.gz	FVAZWQJWDBXJSC-UXBLZVDNSA-N	-1	1	249.360	3.633	50	0		BHAAMM
CCCCCCC(=O)c1ccc([O-])cc1	ZINC000002556863	168647516	/nfs/dbraw/zinc/64/75/16/168647516.db2.gz	MAZPQHJYGKZQEA-UHFFFAOYSA-N	-1	1	206.285	3.545	50	0		BHAAMM
CCCCn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000002853921	169032426	/nfs/dbraw/zinc/03/24/26/169032426.db2.gz	PIYZWEZUOQOZDX-UHFFFAOYSA-N	-1	1	247.367	3.716	50	0		BHAAMM
CCCCCc1cc([O-])c2c(C)cc(=O)oc2c1	ZINC000005826127	342770518	/nfs/dbraw/zinc/77/05/18/342770518.db2.gz	JNQRCHFZDNUMRU-UHFFFAOYSA-N	-1	1	246.306	3.540	50	0		BHAAMM
S=c1[n-]nc(-c2ccccc2)n1C1CCCC1	ZINC000005999782	183314376	/nfs/dbraw/zinc/31/43/76/183314376.db2.gz	IJPWICYSHKNCCL-UHFFFAOYSA-N	-1	1	245.351	3.723	50	0		BHAAMM
Cc1cc(-c2n[n-]c(=S)n2C(C)C)cs1	ZINC000008301420	342797648	/nfs/dbraw/zinc/79/76/48/342797648.db2.gz	HFRVQGIAFXHNGY-UHFFFAOYSA-N	-1	1	239.369	3.559	50	0		BHAAMM
[O-]c1ccc(-c2ccc(F)cc2)cc1Cl	ZINC000032002881	183263885	/nfs/dbraw/zinc/26/38/85/183263885.db2.gz	QISLZLCJLVEFBH-UHFFFAOYSA-N	-1	1	222.646	3.852	50	0		BHAAMM
[O-]c1cc(-c2ccccc2)ccc1Cl	ZINC000032150558	183257257	/nfs/dbraw/zinc/25/72/57/183257257.db2.gz	JLOLMJZKXRFOOE-UHFFFAOYSA-N	-1	1	204.656	3.713	50	0		BHAAMM
[O-]c1ccc(-c2nc3ccccc3[nH]2)cc1Cl	ZINC000034575183	183265779	/nfs/dbraw/zinc/26/57/79/183265779.db2.gz	HPFOEQYAZPMRDG-UHFFFAOYSA-N	-1	1	244.681	3.589	50	0		BHAAMM
O=C(c1ccccc1)c1ccc([O-])c2ccccc12	ZINC000036406204	643395060	/nfs/dbraw/zinc/39/50/60/643395060.db2.gz	VANIRKXGZSRTMW-UHFFFAOYSA-N	-1	1	248.281	3.776	50	0		BHAAMM
[O-]c1cc(-c2ccccc2F)ccc1Cl	ZINC000047206810	183256930	/nfs/dbraw/zinc/25/69/30/183256930.db2.gz	GNWCWZWOLQUYND-UHFFFAOYSA-N	-1	1	222.646	3.852	50	0		BHAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(C)C)cc1	ZINC000048513527	178331220	/nfs/dbraw/zinc/33/12/20/178331220.db2.gz	FOVSTMWKIRTUNA-UHFFFAOYSA-N	-1	1	247.367	3.572	50	0		BHAAMM
CC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000052066179	632062444	/nfs/dbraw/zinc/06/24/44/632062444.db2.gz	ULGLXVWBSHHCGU-UHFFFAOYSA-N	-1	1	246.693	3.915	50	0		BHAAMM
CC(C)c1ccc([O-])c(C(=O)c2ccccc2)c1	ZINC000052068475	343300089	/nfs/dbraw/zinc/30/00/89/343300089.db2.gz	HGZHYRJRNRGSNH-UHFFFAOYSA-N	-1	1	240.302	3.747	50	0		BHAAMM
CCCC(=O)c1ccc([O-])c2ccccc12	ZINC000071450967	643467643	/nfs/dbraw/zinc/46/76/43/643467643.db2.gz	CMSVSGCCKWOODW-UHFFFAOYSA-N	-1	1	214.264	3.528	50	0		BHAAMM
[O-]c1ccc(-c2ccnc3[nH]ccc32)cc1Cl	ZINC000072144787	183263849	/nfs/dbraw/zinc/26/38/49/183263849.db2.gz	VHBNSLCRWBOXEO-UHFFFAOYSA-N	-1	1	244.681	3.589	50	0		BHAAMM
[O-]c1ccc(SC(F)(F)F)cc1Cl	ZINC000080450855	541364588	/nfs/dbraw/zinc/36/45/88/541364588.db2.gz	OHGJQHWYVINODI-UHFFFAOYSA-N	-1	1	228.622	3.658	50	0		BHAAMM
Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1C	ZINC000097147148	344162081	/nfs/dbraw/zinc/16/20/81/344162081.db2.gz	GGTGBXSNLOQXNL-UXBLZVDNSA-N	-1	1	249.360	3.633	50	0		BHAAMM
CC(C)n1[n-]c(-c2ccc(F)cc2)cc1=S	ZINC000100609050	384648041	/nfs/dbraw/zinc/64/80/41/384648041.db2.gz	IJKABUBAKDXJCB-UHFFFAOYSA-N	-1	1	236.315	3.933	50	0		BHAAMM
[O-]c1cc(OCc2ccccc2)ccc1Cl	ZINC000114122449	368386260	/nfs/dbraw/zinc/38/62/60/368386260.db2.gz	WMQUMGDCWBHBCC-UHFFFAOYSA-N	-1	1	234.682	3.625	50	0		BHAAMM
O=C(c1ccc([O-])c(-c2ccccc2)c1)C1CC1	ZINC000129734097	591391841	/nfs/dbraw/zinc/39/18/41/591391841.db2.gz	VSYWKSTYNDFFML-UHFFFAOYSA-N	-1	1	238.286	3.652	50	0		BHAAMM
CC(C)C(=O)c1ccc([O-])c(-c2ccccc2)c1	ZINC000129734798	591391629	/nfs/dbraw/zinc/39/16/29/591391629.db2.gz	YWQNGSHZQFUKJV-UHFFFAOYSA-N	-1	1	240.302	3.898	50	0		BHAAMM
CCC(=O)c1ccc([O-])c(-c2ccccc2)c1	ZINC000129735201	591391887	/nfs/dbraw/zinc/39/18/87/591391887.db2.gz	VIYVUONLZIOXJN-UHFFFAOYSA-N	-1	1	226.275	3.652	50	0		BHAAMM
CC(C)CC(=O)c1ccc([O-])c2ccccc12	ZINC000129735422	591392441	/nfs/dbraw/zinc/39/24/41/591392441.db2.gz	CQOYGBGVHCNQGJ-UHFFFAOYSA-N	-1	1	228.291	3.774	50	0		BHAAMM
CC(C)(C)C(=O)c1ccc([O-])c2ccccc12	ZINC000129735662	591392324	/nfs/dbraw/zinc/39/23/24/591392324.db2.gz	CHQPDJZXMJCHDD-UHFFFAOYSA-N	-1	1	228.291	3.774	50	0		BHAAMM
CC(C)COc1ccc([O-])c(Cl)c1Cl	ZINC000261493488	191329744	/nfs/dbraw/zinc/32/97/44/191329744.db2.gz	CARVPSOGTGPKAB-UHFFFAOYSA-N	-1	1	235.110	3.734	50	0		BHAAMM
CC(C)(C)c1cc([O-])c(F)c(Br)c1	ZINC000261493796	385815330	/nfs/dbraw/zinc/81/53/30/385815330.db2.gz	JKYVOAJRPNWQAE-UHFFFAOYSA-N	-1	1	247.107	3.591	50	0		BHAAMM
CCCCOc1ccc([O-])c(Cl)c1Cl	ZINC000261493890	188192958	/nfs/dbraw/zinc/19/29/58/188192958.db2.gz	LJDTYEJJZPOLDQ-UHFFFAOYSA-N	-1	1	235.110	3.878	50	0		BHAAMM