smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(c1cc(C#N)c(Br)cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000603293634	651477758	/nfs/dbraw/zinc/47/77/58/651477758.db2.gz	TWOLALSKVFSHHL-OAHLLOKOSA-N	1	3	378.318	2.320	20	30		GEEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883116736	653828699	/nfs/dbraw/zinc/82/86/99/653828699.db2.gz	CQMFIZWTHCTBFV-LBPRGKRZSA-N	1	3	397.321	2.109	20	30		GEEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883116736	653828702	/nfs/dbraw/zinc/82/87/02/653828702.db2.gz	CQMFIZWTHCTBFV-LBPRGKRZSA-N	1	3	397.321	2.109	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1COc2cc(F)c(Br)cc21	ZINC000261719848	645596796	/nfs/dbraw/zinc/59/67/96/645596796.db2.gz	NHRSQXQOSQACHZ-YGRLFVJLSA-N	1	3	385.281	2.410	20	30		GEEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1C#N	ZINC000597942776	652794037	/nfs/dbraw/zinc/79/40/37/652794037.db2.gz	OHNMCYVLPPEPOJ-ZDUSSCGKSA-N	1	3	381.318	2.323	20	30		GEEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1C#N	ZINC000597942776	652794040	/nfs/dbraw/zinc/79/40/40/652794040.db2.gz	OHNMCYVLPPEPOJ-ZDUSSCGKSA-N	1	3	381.318	2.323	20	30		GEEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)cc1C#N	ZINC000597942978	652793707	/nfs/dbraw/zinc/79/37/07/652793707.db2.gz	ROKCADCKKFHGRL-AWEZNQCLSA-N	1	3	395.345	2.251	20	30		GEEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)cc1C#N	ZINC000597942978	652793712	/nfs/dbraw/zinc/79/37/12/652793712.db2.gz	ROKCADCKKFHGRL-AWEZNQCLSA-N	1	3	395.345	2.251	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)c2c(c1)OCCO2	ZINC000261988583	645615017	/nfs/dbraw/zinc/61/50/17/645615017.db2.gz	LAXFXVCQPPSSBZ-CYBMUJFWSA-N	1	3	397.317	2.109	20	30		GEEDHO
CN(c1cc(C#N)c(Br)cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000603293633	651477743	/nfs/dbraw/zinc/47/77/43/651477743.db2.gz	TWOLALSKVFSHHL-HNNXBMFYSA-N	1	3	378.318	2.320	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1COc2cc(F)c(Br)cc21	ZINC000261719844	645596572	/nfs/dbraw/zinc/59/65/72/645596572.db2.gz	NHRSQXQOSQACHZ-IINYFYTJSA-N	1	3	385.281	2.410	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)c(OC)c(OC)c1	ZINC000303971734	647278428	/nfs/dbraw/zinc/27/84/28/647278428.db2.gz	DXQJBZUTQQEBTE-ZDUSSCGKSA-N	1	3	399.333	2.355	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1cc(Br)ccc1C	ZINC000303973109	647278307	/nfs/dbraw/zinc/27/83/07/647278307.db2.gz	GQANNLXHHSIPGP-AWEZNQCLSA-N	1	3	396.333	2.085	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)c(OC)c(OC)c1	ZINC000303971733	647278383	/nfs/dbraw/zinc/27/83/83/647278383.db2.gz	DXQJBZUTQQEBTE-CYBMUJFWSA-N	1	3	399.333	2.355	20	30		GEEDHO
C=CCOc1c(Br)cc(CNCCN2CC[NH2+]CC2)cc1OC	ZINC000414860203	532835469	/nfs/dbraw/zinc/83/54/69/532835469.db2.gz	BZIGUSKNAYEHFQ-UHFFFAOYSA-N	1	3	384.318	2.017	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cn2cc(Br)cc(C)c2n1	ZINC000262361674	645628492	/nfs/dbraw/zinc/62/84/92/645628492.db2.gz	IVZDICSKZQXAEU-HNNXBMFYSA-N	1	3	393.333	2.294	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1Br	ZINC000303991114	647279330	/nfs/dbraw/zinc/27/93/30/647279330.db2.gz	ZGOZZXCDTKYURZ-CYBMUJFWSA-N	1	3	399.333	2.355	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1COc2cc(F)c(Br)cc21	ZINC000261719846	645596603	/nfs/dbraw/zinc/59/66/03/645596603.db2.gz	NHRSQXQOSQACHZ-QMTHXVAHSA-N	1	3	385.281	2.410	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(c(Br)c1)OCO2	ZINC000261986744	645615061	/nfs/dbraw/zinc/61/50/61/645615061.db2.gz	KEOVHOYFCHEDEF-GFCCVEGCSA-N	1	3	383.290	2.066	20	30		GEEDHO
C[NH+]1CCC(N2CCC(NC(=O)Nc3nc(Cl)c(C#N)s3)CC2)CC1	ZINC000888417504	654082704	/nfs/dbraw/zinc/08/27/04/654082704.db2.gz	HTLMSIDTDDAPKQ-UHFFFAOYSA-N	1	3	382.921	2.348	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc2c(c(Br)c1)OCO2	ZINC000261986745	645614741	/nfs/dbraw/zinc/61/47/41/645614741.db2.gz	KEOVHOYFCHEDEF-LBPRGKRZSA-N	1	3	383.290	2.066	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1cc(Br)ccc1C	ZINC000303973110	647278346	/nfs/dbraw/zinc/27/83/46/647278346.db2.gz	GQANNLXHHSIPGP-CQSZACIVSA-N	1	3	396.333	2.085	20	30		GEEDHO
C=CCOc1c(Br)cc(CNCCN2CC[NH2+]CC2)cc1OCC	ZINC000414859423	532835537	/nfs/dbraw/zinc/83/55/37/532835537.db2.gz	AVGVFDCVTMNEIV-UHFFFAOYSA-N	1	3	398.345	2.407	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1Br	ZINC000303991115	647279024	/nfs/dbraw/zinc/27/90/24/647279024.db2.gz	ZGOZZXCDTKYURZ-ZDUSSCGKSA-N	1	3	399.333	2.355	20	30		GEEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cn2cc(Br)cc(C)c2n1	ZINC000262361677	645629027	/nfs/dbraw/zinc/62/90/27/645629027.db2.gz	IVZDICSKZQXAEU-OAHLLOKOSA-N	1	3	393.333	2.294	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1COc2cc(F)c(Br)cc21	ZINC000261719842	645596825	/nfs/dbraw/zinc/59/68/25/645596825.db2.gz	NHRSQXQOSQACHZ-HZMBPMFUSA-N	1	3	385.281	2.410	20	30		GEEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)c2c(c1)OCCO2	ZINC000261988587	645614885	/nfs/dbraw/zinc/61/48/85/645614885.db2.gz	LAXFXVCQPPSSBZ-ZDUSSCGKSA-N	1	3	397.317	2.109	20	30		GEEDHO