smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Br)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O	ZINC000734844156	1126106836	/nfs/dbraw/zinc/10/68/36/1126106836.db2.gz	WTZYZQBYVQQTDZ-PBHICJAKSA-N	1	0	434.252	3.787	20	10		IHCDRO
COc1cc(Br)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O	ZINC000734844158	1126106771	/nfs/dbraw/zinc/10/67/71/1126106771.db2.gz	WTZYZQBYVQQTDZ-WMLDXEAASA-N	1	0	434.252	3.787	20	10		IHCDRO
CN(C)c1cc(F)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1F	ZINC001560532879	1126211719	/nfs/dbraw/zinc/21/17/19/1126211719.db2.gz	ZBWNESUJHWBMNK-FQEVSTJZSA-N	1	0	425.317	3.803	20	10		IHCDRO
CN1CCc2nc(Cl)nc(N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)c2C1	ZINC001164910466	721568522	/nfs/dbraw/zinc/56/85/22/721568522.db2.gz	WZWUMJCYMJZSRS-UHFFFAOYSA-N	1	0	446.986	3.953	20	10		IHCDRO
COc1cc(Br)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O	ZINC000734844157	1126106861	/nfs/dbraw/zinc/10/68/61/1126106861.db2.gz	WTZYZQBYVQQTDZ-RHSMWYFYSA-N	1	0	434.252	3.787	20	10		IHCDRO
COc1cc(Br)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O	ZINC000734844159	1126106826	/nfs/dbraw/zinc/10/68/26/1126106826.db2.gz	WTZYZQBYVQQTDZ-YOEHRIQHSA-N	1	0	434.252	3.787	20	10		IHCDRO
OC[C@]1([NH2+]Cc2ccc(Br)cc2O)CCc2cc(Br)ccc2C1	ZINC001206661414	1126159668	/nfs/dbraw/zinc/15/96/68/1126159668.db2.gz	WNJUPGITJUENLO-SFHVURJKSA-N	1	0	441.163	3.927	20	10		IHCDRO
CN(C)c1cc(F)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1F	ZINC001560532880	1126211726	/nfs/dbraw/zinc/21/17/26/1126211726.db2.gz	ZBWNESUJHWBMNK-HXUWFJFHSA-N	1	0	425.317	3.803	20	10		IHCDRO
OC[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCc2cc(Br)ccc2C1	ZINC001206661413	1126159614	/nfs/dbraw/zinc/15/96/14/1126159614.db2.gz	WNJUPGITJUENLO-GOSISDBHSA-N	1	0	441.163	3.927	20	10		IHCDRO
c1cncc(-c2cccc3c2C2(CN3c3ccc(CN4CCOCC4)cn3)CC[NH2+]CC2)c1	ZINC001164910864	721568483	/nfs/dbraw/zinc/56/84/83/721568483.db2.gz	XMQMGBCRXLEZEF-UHFFFAOYSA-N	1	0	441.579	3.749	20	10		IHCDRO