smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	ZINC000734843477	1126106591	/nfs/dbraw/zinc/10/65/91/1126106591.db2.gz	LDZLVRHBCDVASH-AZUAARDMSA-N	1	0	412.427	3.286	20	10		HGCDRO
O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F	ZINC001200423834	1126156239	/nfs/dbraw/zinc/15/62/39/1126156239.db2.gz	NFZRFQMTFAXGTN-RTWAWAEBSA-N	1	0	408.464	3.272	20	10		HGCDRO
COc1cc(C)cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1O	ZINC001308866599	1126168548	/nfs/dbraw/zinc/16/85/48/1126168548.db2.gz	VNEXQCULXGUQHB-FQEVSTJZSA-N	1	0	406.320	3.481	20	10		HGCDRO
COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(O)c1OC	ZINC001462473229	1126197605	/nfs/dbraw/zinc/19/76/05/1126197605.db2.gz	OQWIOXYJXJQNMV-LJQANCHMSA-N	1	0	410.308	3.255	20	10		HGCDRO
COc1cc(O)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1OC	ZINC001474627062	1126204848	/nfs/dbraw/zinc/20/48/48/1126204848.db2.gz	ZSMJLRBVHLOUBL-FQEVSTJZSA-N	1	0	422.319	3.182	20	10		HGCDRO
O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F	ZINC001200423835	1126156439	/nfs/dbraw/zinc/15/64/39/1126156439.db2.gz	NFZRFQMTFAXGTN-SFTDATJTSA-N	1	0	408.464	3.272	20	10		HGCDRO
COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(O)c1OC	ZINC001462473227	1126197550	/nfs/dbraw/zinc/19/75/50/1126197550.db2.gz	OQWIOXYJXJQNMV-IBGZPJMESA-N	1	0	410.308	3.255	20	10		HGCDRO
COc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(O)c1OC	ZINC001182880773	1126153155	/nfs/dbraw/zinc/15/31/55/1126153155.db2.gz	KPDMMCCOQAOXOL-HXUWFJFHSA-N	1	0	422.319	3.182	20	10		HGCDRO
C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC001308117416	1126163362	/nfs/dbraw/zinc/16/33/62/1126163362.db2.gz	JFOWLKXDFXUZLL-NRFANRHFSA-N	1	0	419.363	3.369	20	10		HGCDRO
COc1cc(Br)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O	ZINC000734845662	1126106787	/nfs/dbraw/zinc/10/67/87/1126106787.db2.gz	YVPXDSZZDJZEMD-OAHLLOKOSA-N	1	0	405.292	3.338	20	10		HGCDRO
C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC001308117417	1126163331	/nfs/dbraw/zinc/16/33/31/1126163331.db2.gz	JFOWLKXDFXUZLL-OAQYLSRUSA-N	1	0	419.363	3.369	20	10		HGCDRO
COc1cc(O)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1OC	ZINC001474627063	1126204817	/nfs/dbraw/zinc/20/48/17/1126204817.db2.gz	ZSMJLRBVHLOUBL-HXUWFJFHSA-N	1	0	422.319	3.182	20	10		HGCDRO
O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F	ZINC001200423831	1126156357	/nfs/dbraw/zinc/15/63/57/1126156357.db2.gz	NFZRFQMTFAXGTN-LEWJYISDSA-N	1	0	408.464	3.272	20	10		HGCDRO
COc1cc(C)cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1O	ZINC001308866601	1126168592	/nfs/dbraw/zinc/16/85/92/1126168592.db2.gz	VNEXQCULXGUQHB-HXUWFJFHSA-N	1	0	406.320	3.481	20	10		HGCDRO
COc1cc(Br)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O	ZINC000734845661	1126106820	/nfs/dbraw/zinc/10/68/20/1126106820.db2.gz	YVPXDSZZDJZEMD-HNNXBMFYSA-N	1	0	405.292	3.338	20	10		HGCDRO
O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	ZINC000734843479	1126106563	/nfs/dbraw/zinc/10/65/63/1126106563.db2.gz	LDZLVRHBCDVASH-QUCCMNQESA-N	1	0	412.427	3.286	20	10		HGCDRO
COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(O)c1OC	ZINC001182880772	1126153055	/nfs/dbraw/zinc/15/30/55/1126153055.db2.gz	KPDMMCCOQAOXOL-FQEVSTJZSA-N	1	0	422.319	3.182	20	10		HGCDRO
O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F	ZINC001200423833	1126156412	/nfs/dbraw/zinc/15/64/12/1126156412.db2.gz	NFZRFQMTFAXGTN-NHCUHLMSSA-N	1	0	408.464	3.272	20	10		HGCDRO
O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	ZINC000734843480	1126106581	/nfs/dbraw/zinc/10/65/81/1126106581.db2.gz	LDZLVRHBCDVASH-UYAOXDASSA-N	1	0	412.427	3.286	20	10		HGCDRO
O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	ZINC000734843478	1126106612	/nfs/dbraw/zinc/10/66/12/1126106612.db2.gz	LDZLVRHBCDVASH-ICSRJNTNSA-N	1	0	412.427	3.286	20	10		HGCDRO