smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@@H]1CCCN1[C@H](C(N)=O)c1cccc(Br)c1	ZINC000160684711	551584411	/nfs/dbraw/zinc/58/44/11/551584411.db2.gz	RHOAKWLYLYZYQP-HOTGVXAUSA-N	1	1	377.286	2.645	10	70		GFIEMO
CCOCC[N@@H+]1CCN(C(=O)Cc2cc(OC)ccc2Br)C[C@H]1C	ZINC000160497370	551581053	/nfs/dbraw/zinc/58/10/53/551581053.db2.gz	IVADEGHGVXDPJZ-CQSZACIVSA-N	1	1	399.329	2.569	10	70		GFIEMO
CCOCC[N@H+]1CCN(C(=O)Cc2cc(OC)ccc2Br)C[C@H]1C	ZINC000160497370	551581055	/nfs/dbraw/zinc/58/10/55/551581055.db2.gz	IVADEGHGVXDPJZ-CQSZACIVSA-N	1	1	399.329	2.569	10	70		GFIEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21	ZINC000160264058	551578164	/nfs/dbraw/zinc/57/81/64/551578164.db2.gz	IAMYHCVKQVWSKJ-WCQYABFASA-N	1	1	390.281	2.599	10	70		GFIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	ZINC000160405474	551579692	/nfs/dbraw/zinc/57/96/92/551579692.db2.gz	SVEUMUJZVSDUPX-CQSZACIVSA-N	1	1	387.933	2.562	10	70		GFIEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@H]1C	ZINC000161214724	551591805	/nfs/dbraw/zinc/59/18/05/551591805.db2.gz	CNDCHIVEBLTYPP-HUUCEWRRSA-N	1	1	383.330	2.685	10	70		GFIEMO
CCOCC[N@@H+]1CCN(C(=O)Cc2cc(OC)ccc2Br)C[C@@H]1C	ZINC000160497236	551581232	/nfs/dbraw/zinc/58/12/32/551581232.db2.gz	IVADEGHGVXDPJZ-AWEZNQCLSA-N	1	1	399.329	2.569	10	70		GFIEMO
CCOCC[N@H+]1CCN(C(=O)Cc2cc(OC)ccc2Br)C[C@@H]1C	ZINC000160497236	551581235	/nfs/dbraw/zinc/58/12/35/551581235.db2.gz	IVADEGHGVXDPJZ-AWEZNQCLSA-N	1	1	399.329	2.569	10	70		GFIEMO
O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1COCC[NH2+]1	ZINC000159511743	551566282	/nfs/dbraw/zinc/56/62/82/551566282.db2.gz	VJGZUWNRHRYCTI-MRXNPFEDSA-N	1	1	391.265	2.846	10	70		GFIEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1sccc1Br	ZINC000159367645	551564110	/nfs/dbraw/zinc/56/41/10/551564110.db2.gz	UFKJKZMJWNODMQ-AWEZNQCLSA-N	1	1	395.322	2.660	10	70		GFIEMO
COCC[N@@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1C	ZINC000160888421	551586934	/nfs/dbraw/zinc/58/69/34/551586934.db2.gz	KLOPYYRNPBYWLZ-LBPRGKRZSA-N	1	1	380.286	2.723	10	70		GFIEMO
COCC[N@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1C	ZINC000160888421	551586936	/nfs/dbraw/zinc/58/69/36/551586936.db2.gz	KLOPYYRNPBYWLZ-LBPRGKRZSA-N	1	1	380.286	2.723	10	70		GFIEMO
CC[C@H]1CN(C(=O)Cc2cc(OC)ccc2Br)CC[N@H+]1CCOC	ZINC000160502809	551581834	/nfs/dbraw/zinc/58/18/34/551581834.db2.gz	JFTIVVKYOLVBRI-HNNXBMFYSA-N	1	1	399.329	2.569	10	70		GFIEMO
COCC[N@@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1C	ZINC000160888278	551587016	/nfs/dbraw/zinc/58/70/16/551587016.db2.gz	KLOPYYRNPBYWLZ-GFCCVEGCSA-N	1	1	380.286	2.723	10	70		GFIEMO
COCC[N@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1C	ZINC000160888278	551587019	/nfs/dbraw/zinc/58/70/19/551587019.db2.gz	KLOPYYRNPBYWLZ-GFCCVEGCSA-N	1	1	380.286	2.723	10	70		GFIEMO
CC[C@@H]1CN(C(=O)Cc2cc(OC)ccc2Br)CC[N@H+]1CCOC	ZINC000160502692	551581612	/nfs/dbraw/zinc/58/16/12/551581612.db2.gz	JFTIVVKYOLVBRI-OAHLLOKOSA-N	1	1	399.329	2.569	10	70		GFIEMO
Cc1[nH+]ccn1C[C@H]1CCCN1[C@H](C(N)=O)c1cccc(Br)c1	ZINC000160684826	551584395	/nfs/dbraw/zinc/58/43/95/551584395.db2.gz	RHOAKWLYLYZYQP-CVEARBPZSA-N	1	1	377.286	2.645	10	70		GFIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000160447950	551580398	/nfs/dbraw/zinc/58/03/98/551580398.db2.gz	MSTQWONSKOJBFD-MRXNPFEDSA-N	1	1	386.945	2.740	10	70		GFIEMO
O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@@H]1COCC[NH2+]1	ZINC000159511590	551566396	/nfs/dbraw/zinc/56/63/96/551566396.db2.gz	VJGZUWNRHRYCTI-INIZCTEOSA-N	1	1	391.265	2.846	10	70		GFIEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@@H]1C	ZINC000161214819	551591439	/nfs/dbraw/zinc/59/14/39/551591439.db2.gz	CNDCHIVEBLTYPP-LSDHHAIUSA-N	1	1	383.330	2.685	10	70		GFIEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21	ZINC000160263932	551578384	/nfs/dbraw/zinc/57/83/84/551578384.db2.gz	IAMYHCVKQVWSKJ-DGCLKSJQSA-N	1	1	390.281	2.599	10	70		GFIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1sccc1Br	ZINC000160312556	551578896	/nfs/dbraw/zinc/57/88/96/551578896.db2.gz	HQNSCGVARVUNFN-LLVKDONJSA-N	1	1	381.361	2.909	10	70		GFIEMO