smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)[C@H](C)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000105845823	381249936	/nfs/dbraw/zinc/24/99/36/381249936.db2.gz	GPGVFTISKIOJIX-DLBZAZTESA-N	2	1	336.480	-0.149	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(CCC(=O)N(C)C)CC1	ZINC000262010028	649986342	/nfs/dbraw/zinc/98/63/42/649986342.db2.gz	WJYSXRSNPDAVMZ-HNNXBMFYSA-N	3	1	338.500	-0.248	10	30		EBEEMP
C#CCNC(=O)[C@H](C)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000105845828	381249044	/nfs/dbraw/zinc/24/90/44/381249044.db2.gz	GPGVFTISKIOJIX-IRXDYDNUSA-N	2	1	336.480	-0.149	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159182761	649978108	/nfs/dbraw/zinc/97/81/08/649978108.db2.gz	NLANTBQXTZAQGV-OLZOCXBDSA-N	2	1	335.456	-0.002	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000179074242	649979546	/nfs/dbraw/zinc/97/95/46/649979546.db2.gz	DODBDNRJLLYMBW-JKSUJKDBSA-N	2	1	339.484	-0.454	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261772416	649984826	/nfs/dbraw/zinc/98/48/26/649984826.db2.gz	OGLBWEAJPJLCJU-CVEARBPZSA-N	2	1	349.483	-0.385	10	30		EBEEMP
C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000261999661	649986235	/nfs/dbraw/zinc/98/62/35/649986235.db2.gz	UAUSRLJJWIDZMV-UONOGXRCSA-N	2	1	345.513	-0.084	10	30		EBEEMP
C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C#N	ZINC000912534967	650206849	/nfs/dbraw/zinc/20/68/49/650206849.db2.gz	ILQSTVZGQALRLP-KFWWJZLASA-N	2	1	333.436	-0.262	10	30		EBEEMP
C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C#N)C1	ZINC000912534967	650206851	/nfs/dbraw/zinc/20/68/51/650206851.db2.gz	ILQSTVZGQALRLP-KFWWJZLASA-N	2	1	333.436	-0.262	10	30		EBEEMP
C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H](C#N)C1	ZINC000912534967	650206853	/nfs/dbraw/zinc/20/68/53/650206853.db2.gz	ILQSTVZGQALRLP-KFWWJZLASA-N	2	1	333.436	-0.262	10	30		EBEEMP
C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1C#N	ZINC000912534971	650207169	/nfs/dbraw/zinc/20/71/69/650207169.db2.gz	ILQSTVZGQALRLP-ZNMIVQPWSA-N	2	1	333.436	-0.262	10	30		EBEEMP
C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C#N)C1	ZINC000912534971	650207172	/nfs/dbraw/zinc/20/71/72/650207172.db2.gz	ILQSTVZGQALRLP-ZNMIVQPWSA-N	2	1	333.436	-0.262	10	30		EBEEMP
C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C#N)C1	ZINC000912534971	650207174	/nfs/dbraw/zinc/20/71/74/650207174.db2.gz	ILQSTVZGQALRLP-ZNMIVQPWSA-N	2	1	333.436	-0.262	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261772422	649984840	/nfs/dbraw/zinc/98/48/40/649984840.db2.gz	OGLBWEAJPJLCJU-HZPDHXFCSA-N	2	1	349.483	-0.385	10	30		EBEEMP
C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000261999663	649986332	/nfs/dbraw/zinc/98/63/32/649986332.db2.gz	UAUSRLJJWIDZMV-ZIAGYGMSSA-N	2	1	345.513	-0.084	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000245631272	719409210	/nfs/dbraw/zinc/40/92/10/719409210.db2.gz	DODBDNRJLLYMBW-HZPDHXFCSA-N	2	1	339.484	-0.454	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000114086612	584267850	/nfs/dbraw/zinc/26/78/50/584267850.db2.gz	AACLOTCZRYUVJW-GJZGRUSLSA-N	2	1	337.468	-0.021	10	30		EBEEMP
C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(CCC(=O)N(C)C)CC1	ZINC000262010030	649986060	/nfs/dbraw/zinc/98/60/60/649986060.db2.gz	WJYSXRSNPDAVMZ-OAHLLOKOSA-N	3	1	338.500	-0.248	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261974487	649985991	/nfs/dbraw/zinc/98/59/91/649985991.db2.gz	NLANTBQXTZAQGV-STQMWFEESA-N	2	1	335.456	-0.002	10	30		EBEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262419710	649987228	/nfs/dbraw/zinc/98/72/28/649987228.db2.gz	AACLOTCZRYUVJW-LSDHHAIUSA-N	2	1	337.468	-0.021	10	30		EBEEMP