smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790828	336261810	/nfs/dbraw/zinc/26/18/10/336261810.db2.gz	QPMHKELJTIUNJX-QRWLVFNGSA-N	-1	0	307.393	4.734	20	10		DJCDRM
CC[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791048	336261762	/nfs/dbraw/zinc/26/17/62/336261762.db2.gz	OPLLKQCSVUSTRG-PXNSSMCTSA-N	-1	0	307.393	4.816	20	10		DJCDRM
Cc1ccc([C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790845	336261740	/nfs/dbraw/zinc/26/17/40/336261740.db2.gz	QPMHKELJTIUNJX-YWZLYKJASA-N	-1	0	307.393	4.734	20	10		DJCDRM
Cc1ccc([C@@H](C)N[C@@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235424	337203645	/nfs/dbraw/zinc/20/36/45/337203645.db2.gz	FMVGXCRXQDFHSL-RDTXWAMCSA-N	-1	0	324.449	4.597	20	10		DJCDRM
CC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791088	336261772	/nfs/dbraw/zinc/26/17/72/336261772.db2.gz	OPLLKQCSVUSTRG-YLJYHZDGSA-N	-1	0	307.393	4.816	20	10		DJCDRM
Cc1ccc([C@H](C)N[C@@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235444	337203522	/nfs/dbraw/zinc/20/35/22/337203522.db2.gz	FMVGXCRXQDFHSL-KBXCAEBGSA-N	-1	0	324.449	4.597	20	10		DJCDRM
Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])ccc1F	ZINC000061117632	184161884	/nfs/dbraw/zinc/16/18/84/184161884.db2.gz	VGRNXGPQLDWSOU-UHFFFAOYSA-N	-1	0	300.160	4.759	20	10		DJCDRM
Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790857	336261841	/nfs/dbraw/zinc/26/18/41/336261841.db2.gz	QPMHKELJTIUNJX-FOIQADDNSA-N	-1	0	307.393	4.734	20	10		DJCDRM
CC[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791063	336261765	/nfs/dbraw/zinc/26/17/65/336261765.db2.gz	OPLLKQCSVUSTRG-XLIONFOSSA-N	-1	0	307.393	4.816	20	10		DJCDRM
Cc1ccc([C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)c(O)c1	ZINC000192790874	336261783	/nfs/dbraw/zinc/26/17/83/336261783.db2.gz	QPMHKELJTIUNJX-MGPUTAFESA-N	-1	0	307.393	4.734	20	10		DJCDRM
Cc1ccc([C@@H](C)N[C@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235389	337203526	/nfs/dbraw/zinc/20/35/26/337203526.db2.gz	FMVGXCRXQDFHSL-KDOFPFPSSA-N	-1	0	324.449	4.597	20	10		DJCDRM
Cc1ccc([C@H](C)N[C@H](c2nccs2)c2ccccc2)c(O)c1	ZINC000185235408	337203532	/nfs/dbraw/zinc/20/35/32/337203532.db2.gz	FMVGXCRXQDFHSL-KSSFIOAISA-N	-1	0	324.449	4.597	20	10		DJCDRM
Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1F	ZINC000021803917	182291134	/nfs/dbraw/zinc/29/11/34/182291134.db2.gz	QPLUJCOTNOLBBL-UHFFFAOYSA-N	-1	0	300.160	4.759	20	10		DJCDRM
Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])c(F)c1	ZINC000020371609	182212625	/nfs/dbraw/zinc/21/26/25/182212625.db2.gz	JODOJAYDXYWADH-UHFFFAOYSA-N	-1	0	300.160	4.759	20	10		DJCDRM
Cc1csc(C2([NH2+][C@H](C)c3cc(Cl)ccc3O)CCC2)n1	ZINC000273528106	130132473	/nfs/dbraw/zinc/13/24/73/130132473.db2.gz	VTLONTXBLSBTJE-LLVKDONJSA-N	-1	0	322.861	4.541	20	10		DJCDRM
Cc1csc(C2([NH2+][C@@H](C)c3cc(Cl)ccc3O)CCC2)n1	ZINC000273528107	130132001	/nfs/dbraw/zinc/13/20/01/130132001.db2.gz	VTLONTXBLSBTJE-NSHDSACASA-N	-1	0	322.861	4.541	20	10		DJCDRM
CC[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)c1ccccc1O	ZINC000192791077	336261872	/nfs/dbraw/zinc/26/18/72/336261872.db2.gz	OPLLKQCSVUSTRG-FXAWDEMLSA-N	-1	0	307.393	4.816	20	10		DJCDRM