smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2c3c(n[nH]c3C(C)C)OC(N)=C2C#N)cc1	ZINC000005977282	264003285	/nfs/dbraw/zinc/00/32/85/264003285.db2.gz	MYDORYZXBUFGMJ-ZDUSSCGKSA-N	0	0	310.357	2.760	30	50		DFGCRN
COc1cccc([C@H]2c3c(n[nH]c3C(C)C)OC(N)=C2C#N)c1	ZINC000005633531	264003750	/nfs/dbraw/zinc/00/37/50/264003750.db2.gz	NPMHFRDNYSSJOK-CYBMUJFWSA-N	0	0	310.357	2.760	30	50		DFGCRN
COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)OC(N)=C1C#N	ZINC000005633506	264003826	/nfs/dbraw/zinc/00/38/26/264003826.db2.gz	BDHTUKMKQXYLIN-ZDUSSCGKSA-N	0	0	310.357	2.760	30	50		DFGCRN
COc1cccc([C@@H]2c3c(n[nH]c3C(C)C)OC(N)=C2C#N)c1	ZINC000005633498	264004124	/nfs/dbraw/zinc/00/41/24/264004124.db2.gz	NPMHFRDNYSSJOK-ZDUSSCGKSA-N	0	0	310.357	2.760	30	50		DFGCRN
N#C/C(=C/c1cccc(OC(=O)c2ccco2)c1)C(=O)NC1CC1	ZINC000096438126	264900741	/nfs/dbraw/zinc/90/07/41/264900741.db2.gz	XALNHBYHEODHFB-LCYFTJDESA-N	0	0	322.320	2.684	30	50		DFGCRN
CSc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1	ZINC000096507822	264901044	/nfs/dbraw/zinc/90/10/44/264901044.db2.gz	NVEVNJFBHPHIKI-RNQWEJQRSA-N	0	0	302.399	2.611	30	50		DFGCRN
COc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(OC)c1	ZINC000244646888	398380809	/nfs/dbraw/zinc/38/08/09/398380809.db2.gz	GQVZIQXHUKCTKJ-FOLVSLTJSA-N	0	0	302.374	2.590	30	50		DFGCRN
COc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)OC(N)=C1C#N	ZINC000005633539	264003804	/nfs/dbraw/zinc/00/38/04/264003804.db2.gz	BDHTUKMKQXYLIN-CYBMUJFWSA-N	0	0	310.357	2.760	30	50		DFGCRN
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)cc1	ZINC000000047999	264002342	/nfs/dbraw/zinc/00/23/42/264002342.db2.gz	TZZLZNRHOVAVGN-UKTHLTGXSA-N	0	0	324.336	2.955	30	50		DFGCRN
COc1ccc([C@H]2c3c(n[nH]c3C(C)C)OC(N)=C2C#N)cc1	ZINC000005977283	264003130	/nfs/dbraw/zinc/00/31/30/264003130.db2.gz	MYDORYZXBUFGMJ-CYBMUJFWSA-N	0	0	310.357	2.760	30	50		DFGCRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccn1	ZINC000251548466	427161618	/nfs/dbraw/zinc/16/16/18/427161618.db2.gz	LZBVBQUMVLFUHI-NSHDSACASA-N	0	0	303.749	2.653	30	50		DFGCRN
CSc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1	ZINC000096507821	264901834	/nfs/dbraw/zinc/90/18/34/264901834.db2.gz	NVEVNJFBHPHIKI-XXYUJHKVSA-N	0	0	302.399	2.611	30	50		DFGCRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccccn1	ZINC000251548460	427159590	/nfs/dbraw/zinc/15/95/90/427159590.db2.gz	LZBVBQUMVLFUHI-LLVKDONJSA-N	0	0	303.749	2.653	30	50		DFGCRN