smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccccc2c2c1c1[nH]c3ccccc3c1c(C#N)c2O	ZINC000038781661	183009521	/nfs/dbraw/zinc/00/95/21/183009521.db2.gz	NOUAWDWDINGQBW-UHFFFAOYSA-N	0	1	311.344	4.543	1	30		DJEFMN
O=C(/C=C/c1cccc(Cl)c1)c1coc2cc(F)c(O)cc12	ZINC000096921271	185391863	/nfs/dbraw/zinc/39/18/63/185391863.db2.gz	YVGBQTWLEFHCNA-SNAWJCMRSA-N	0	1	316.715	4.827	1	30		DJEFMN
C=CCN(Cc1coc(-c2cccs2)n1)C1CCCCC1	ZINC000072183870	191072643	/nfs/dbraw/zinc/07/26/43/191072643.db2.gz	RGBPIMDMMPAGKE-UHFFFAOYSA-N	0	1	302.443	4.724	1	30		DJEFMN
CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1	ZINC000013483573	560103034	/nfs/dbraw/zinc/10/30/34/560103034.db2.gz	DGUGLZYULGVSIZ-DHZHZOJOSA-N	0	1	308.377	4.633	1	30	biogenic,in-vivo	DJEFMN
COc1ccc(C(=O)/C=C/C=C/c2ccc(Cl)cc2)c(O)c1	ZINC000095589996	185382051	/nfs/dbraw/zinc/38/20/51/185382051.db2.gz	KEWYTAVDXXWXTN-ZUVMSYQZSA-N	0	1	314.768	4.507	1	30		DJEFMN
COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(O)c1	ZINC000073223854	191295627	/nfs/dbraw/zinc/29/56/27/191295627.db2.gz	GVSDBGRDRJIGTO-XVNBXDOJSA-N	0	1	323.175	4.604	1	30		DJEFMN
C=CCCCC1=NCCc2c3ccc(Br)cc3[nH]c21	ZINC000042922368	183318619	/nfs/dbraw/zinc/31/86/19/183318619.db2.gz	HOEZHPNJXBTKKA-UHFFFAOYSA-N	0	1	317.230	4.632	1	30		DJEFMN
O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1O	ZINC000040951982	183150431	/nfs/dbraw/zinc/15/04/31/183150431.db2.gz	OPPYKLKRHFXOKU-NTCAYCPXSA-N	0	1	300.357	4.955	1	30		DJEFMN
COc1ccc(/C=C/C(=O)c2c(C)c(Cl)c(C)cc2O)cc1	ZINC000096924162	185391645	/nfs/dbraw/zinc/39/16/45/185391645.db2.gz	SFXSSNGIORVKTE-RMKNXTFCSA-N	0	1	316.784	4.567	1	30		DJEFMN
O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2	ZINC000101351172	193811566	/nfs/dbraw/zinc/81/15/66/193811566.db2.gz	QHBGRMYEZCNCMZ-QGZVFWFLSA-N	0	1	319.379	4.561	1	30		DJEFMN
N#Cc1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1	ZINC000064511950	184298594	/nfs/dbraw/zinc/29/85/94/184298594.db2.gz	DYBZWZFBKLZNTG-UHFFFAOYSA-N	0	1	313.335	4.908	1	30		DJEFMN
Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c(O)c1	ZINC000096914965	185391261	/nfs/dbraw/zinc/39/12/61/185391261.db2.gz	CGQHWAVCZWWOEN-MDWZMJQESA-N	0	1	315.372	4.538	1	30		DJEFMN
Cc1ccc(C2=NC3=C(C(=O)CCC3)[C@@H](c3ccccc3)C2)cc1	ZINC000102076626	193861626	/nfs/dbraw/zinc/86/16/26/193861626.db2.gz	QSCRKRBVAJLVEY-GOSISDBHSA-N	0	1	315.416	4.730	1	30		DJEFMN
Cc1coc2c1c(O)c1c(c2O)[C@@]2(C)CCC(C)=C(C)C2=CC1=O	ZINC000013309465	290937138	/nfs/dbraw/zinc/93/71/38/290937138.db2.gz	VGDAVGPDHBMHBW-FQEVSTJZSA-N	0	1	324.376	4.663	1	30	biogenic,in-vitro	DJEFMN
CCCCCCCC(O)=CC(=O)C=Cc1ccc(O)c(OC)c1	ZINC000101342448	193811544	/nfs/dbraw/zinc/81/15/44/193811544.db2.gz	GBNPYIWNMXJEMI-UCGRBFPMSA-N	0	1	318.413	4.786	1	30		DJEFMN