smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820100	720186696	/nfs/dbraw/zinc/18/66/96/720186696.db2.gz	ZMOXSRWVIJWSPW-GLDPYIMESA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820100	720186698	/nfs/dbraw/zinc/18/66/98/720186698.db2.gz	ZMOXSRWVIJWSPW-GLDPYIMESA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820115	720187590	/nfs/dbraw/zinc/18/75/90/720187590.db2.gz	ZMOXSRWVIJWSPW-XLNZFTOWSA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820115	720187595	/nfs/dbraw/zinc/18/75/95/720187595.db2.gz	ZMOXSRWVIJWSPW-XLNZFTOWSA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820095	720187858	/nfs/dbraw/zinc/18/78/58/720187858.db2.gz	ZMOXSRWVIJWSPW-AXHZCLLHSA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820095	720187864	/nfs/dbraw/zinc/18/78/64/720187864.db2.gz	ZMOXSRWVIJWSPW-AXHZCLLHSA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820112	720187632	/nfs/dbraw/zinc/18/76/32/720187632.db2.gz	ZMOXSRWVIJWSPW-JXQFQVJHSA-N	1	3	441.576	2.610	20	30		IFEDHO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001164820112	720187636	/nfs/dbraw/zinc/18/76/36/720187636.db2.gz	ZMOXSRWVIJWSPW-JXQFQVJHSA-N	1	3	441.576	2.610	20	30		IFEDHO