smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1	ZINC000161195063	551591107	/nfs/dbraw/zinc/59/11/07/551591107.db2.gz	PIHWAIDXVUELGP-GFCCVEGCSA-N	0	1	381.885	2.585	10	70		GFIEMN
NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC(c2ccn[nH]2)CC1	ZINC000160071130	551574812	/nfs/dbraw/zinc/57/48/12/551574812.db2.gz	LCFGHMJRMWOWJF-OAHLLOKOSA-N	0	1	381.249	2.717	10	70		GFIEMN
C[C@@H](O)CN1CCN(C(=O)CCCc2ccccc2Br)C[C@H]1C	ZINC000161214724	551591806	/nfs/dbraw/zinc/59/18/06/551591806.db2.gz	CNDCHIVEBLTYPP-HUUCEWRRSA-N	0	1	383.330	2.685	10	70		GFIEMN
CN(C)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000160470316	551581009	/nfs/dbraw/zinc/58/10/09/551581009.db2.gz	OPJGYDVJPOSMOZ-SECBINFHSA-N	0	1	385.686	2.566	10	70		GFIEMN
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1sccc1Br	ZINC000159367645	551564111	/nfs/dbraw/zinc/56/41/11/551564111.db2.gz	UFKJKZMJWNODMQ-AWEZNQCLSA-N	0	1	395.322	2.660	10	70		GFIEMN
CCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N(C)C	ZINC000161217307	551591764	/nfs/dbraw/zinc/59/17/64/551591764.db2.gz	IFXUYGUAMLQAAG-OAHLLOKOSA-N	0	1	387.933	2.793	10	70		GFIEMN
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1	ZINC000161194949	551591290	/nfs/dbraw/zinc/59/12/90/551591290.db2.gz	PIHWAIDXVUELGP-LBPRGKRZSA-N	0	1	381.885	2.585	10	70		GFIEMN
CN(C)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000160470418	551581305	/nfs/dbraw/zinc/58/13/05/551581305.db2.gz	OPJGYDVJPOSMOZ-VIFPVBQESA-N	0	1	385.686	2.566	10	70		GFIEMN
CCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N(C)C	ZINC000161217182	551591635	/nfs/dbraw/zinc/59/16/35/551591635.db2.gz	IFXUYGUAMLQAAG-HNNXBMFYSA-N	0	1	387.933	2.793	10	70		GFIEMN
CC[C@H]1CN(C(=O)Cc2cc(OC)ccc2Br)CCN1CCOC	ZINC000160502809	551581837	/nfs/dbraw/zinc/58/18/37/551581837.db2.gz	JFTIVVKYOLVBRI-HNNXBMFYSA-N	0	1	399.329	2.569	10	70		GFIEMN
CC[C@@H]1CN(C(=O)Cc2cc(OC)ccc2Br)CCN1CCOC	ZINC000160502692	551581614	/nfs/dbraw/zinc/58/16/14/551581614.db2.gz	JFTIVVKYOLVBRI-OAHLLOKOSA-N	0	1	399.329	2.569	10	70		GFIEMN
CCC[C@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)N(C)C	ZINC000161232305	551591713	/nfs/dbraw/zinc/59/17/13/551591713.db2.gz	KSONTBKDZQTYSL-OAHLLOKOSA-N	0	1	384.318	2.885	10	70		GFIEMN
CCC[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)N(C)C	ZINC000161232202	551591801	/nfs/dbraw/zinc/59/18/01/551591801.db2.gz	KSONTBKDZQTYSL-HNNXBMFYSA-N	0	1	384.318	2.885	10	70		GFIEMN
C[C@@H](O)CN1CCN(C(=O)CCCc2ccccc2Br)C[C@@H]1C	ZINC000161214819	551591441	/nfs/dbraw/zinc/59/14/41/551591441.db2.gz	CNDCHIVEBLTYPP-LSDHHAIUSA-N	0	1	383.330	2.685	10	70		GFIEMN
COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1ccc(F)c(Cl)c1	ZINC000160887609	551587006	/nfs/dbraw/zinc/58/70/06/551587006.db2.gz	IJSKZEIBVVQQIH-SSDOTTSWSA-N	0	1	378.834	2.762	10	70		GFIEMN
COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1ccc(F)c(Cl)c1	ZINC000160887463	551587030	/nfs/dbraw/zinc/58/70/30/551587030.db2.gz	IJSKZEIBVVQQIH-ZETCQYMHSA-N	0	1	378.834	2.762	10	70		GFIEMN
CC(C)C[N@@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br	ZINC000160312556	551578897	/nfs/dbraw/zinc/57/88/97/551578897.db2.gz	HQNSCGVARVUNFN-LLVKDONJSA-N	0	1	381.361	2.909	10	70		GFIEMN
CC(C)C[N@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br	ZINC000160312556	551578899	/nfs/dbraw/zinc/57/88/99/551578899.db2.gz	HQNSCGVARVUNFN-LLVKDONJSA-N	0	1	381.361	2.909	10	70		GFIEMN
NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC(c2ccn[nH]2)CC1	ZINC000160071009	551574892	/nfs/dbraw/zinc/57/48/92/551574892.db2.gz	LCFGHMJRMWOWJF-HNNXBMFYSA-N	0	1	381.249	2.717	10	70		GFIEMN