smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1O	ZINC001233073816	978455898	/nfs/dbraw/zinc/45/58/98/978455898.db2.gz	CZKILUILJFBLQS-ZETCQYMHSA-N	-1	2	213.227	2.265	20	10		BECDLM
Oc1c(Cl)cccc1C[NH2+]CCF	ZINC000280847952	188031983	/nfs/dbraw/zinc/03/19/83/188031983.db2.gz	ZCBOBCSBDUPTTC-UHFFFAOYSA-N	-1	2	203.644	2.105	20	10		BECDLM
C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCOC1	ZINC000162818167	384692724	/nfs/dbraw/zinc/69/27/24/384692724.db2.gz	OBSHHSHJLVQNNC-SNVBAGLBSA-N	-1	2	241.718	2.266	20	10		BECDLM
Cc1ccc(C[N@@H+](C)Cc2nccn2C)c(O)c1	ZINC000877169406	590295904	/nfs/dbraw/zinc/29/59/04/590295904.db2.gz	OLCBBNNBXVQTSU-UHFFFAOYSA-N	-1	2	245.326	2.066	20	10		BECDLM
Oc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1	ZINC001138123811	990885905	/nfs/dbraw/zinc/88/59/05/990885905.db2.gz	MXKRVSOHNAPZFB-NHCYSSNCSA-N	-1	2	239.265	2.321	20	10		BECDLM
Oc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1	ZINC001138123810	990887065	/nfs/dbraw/zinc/88/70/65/990887065.db2.gz	MXKRVSOHNAPZFB-JBLDHEPKSA-N	-1	2	239.265	2.321	20	10		BECDLM
Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)nn1	ZINC000877702816	590395850	/nfs/dbraw/zinc/39/58/50/590395850.db2.gz	ISYHWHUFWAHBIV-UHFFFAOYSA-N	-1	2	241.294	2.006	20	10		BECDLM
C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCOC1	ZINC000162818306	384694246	/nfs/dbraw/zinc/69/42/46/384694246.db2.gz	OBSHHSHJLVQNNC-JTQLQIEISA-N	-1	2	241.718	2.266	20	10		BECDLM
C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1	ZINC000132473900	591711343	/nfs/dbraw/zinc/71/13/43/591711343.db2.gz	DWKUKKGLTNJGTP-VIFPVBQESA-N	-1	2	241.718	2.266	20	10		BECDLM
Oc1c(F)cc(Cl)cc1C[NH2+]CCF	ZINC000308502769	631413040	/nfs/dbraw/zinc/41/30/40/631413040.db2.gz	BERCBPJGPBRZQC-UHFFFAOYSA-N	-1	2	221.634	2.244	20	10		BECDLM
[O-]c1c(F)cccc1C[N@H+]1CC[C@@H](F)C1	ZINC000701672544	712026906	/nfs/dbraw/zinc/02/69/06/712026906.db2.gz	FBBKLQJCJCKQLH-SECBINFHSA-N	-1	2	213.227	2.075	20	10		BECDLM
C[C@H]1OCC[N@H+](Cc2cccc(F)c2O)[C@H]1C	ZINC000272287913	385167070	/nfs/dbraw/zinc/16/70/70/385167070.db2.gz	NTFOCUYGTNCSCZ-VHSXEESVSA-N	-1	2	239.290	2.141	20	10		BECDLM
CC1(C)C[N@H+](Cc2cccc(F)c2[O-])CCO1	ZINC000160200569	982517154	/nfs/dbraw/zinc/51/71/54/982517154.db2.gz	HYNHQAIQZDXODR-UHFFFAOYSA-N	-1	2	239.290	2.142	20	10		BECDLM
C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1	ZINC000132473686	591711391	/nfs/dbraw/zinc/71/13/91/591711391.db2.gz	DWKUKKGLTNJGTP-SECBINFHSA-N	-1	2	241.718	2.266	20	10		BECDLM
C[C@H]1CC[N@@H+]1Cc1c(O)ccc(F)c1F	ZINC001233332301	978567674	/nfs/dbraw/zinc/56/76/74/978567674.db2.gz	GOZDCGKYYCSUFS-ZETCQYMHSA-N	-1	2	213.227	2.265	20	10		BECDLM
C[C@@H]1CC[N@@H+]1Cc1c(O)ccc(F)c1F	ZINC001233332300	978565465	/nfs/dbraw/zinc/56/54/65/978565465.db2.gz	GOZDCGKYYCSUFS-SSDOTTSWSA-N	-1	2	213.227	2.265	20	10		BECDLM
CC[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1[O-]	ZINC000160200833	982516977	/nfs/dbraw/zinc/51/69/77/982516977.db2.gz	LXLUTTYAVBHROC-LLVKDONJSA-N	-1	2	239.290	2.142	20	10		BECDLM
Cc1nc([C@@H](C)[N@H+](C)Cc2ccccc2O)no1	ZINC000278542576	180033682	/nfs/dbraw/zinc/03/36/82/180033682.db2.gz	GLZWMVHCLARWBE-SECBINFHSA-N	-1	2	247.298	2.277	20	10		BECDLM
CC[C@H]1COCC[N@@H+]1Cc1cccc(F)c1[O-]	ZINC000160200956	982515015	/nfs/dbraw/zinc/51/50/15/982515015.db2.gz	LXLUTTYAVBHROC-NSHDSACASA-N	-1	2	239.290	2.142	20	10		BECDLM
C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(F)c1O	ZINC000272287917	385166421	/nfs/dbraw/zinc/16/64/21/385166421.db2.gz	NTFOCUYGTNCSCZ-ZJUUUORDSA-N	-1	2	239.290	2.141	20	10		BECDLM
Cc1nc(C[N@@H+](C)Cc2ccc(C)cc2O)no1	ZINC000877642504	583341442	/nfs/dbraw/zinc/34/14/42/583341442.db2.gz	YCARNRRFSSSXEU-UHFFFAOYSA-N	-1	2	247.298	2.024	20	10		BECDLM
Cc1nocc1C[N@@H+]1Cc2cccc(O)c2C1	ZINC000877702900	590396211	/nfs/dbraw/zinc/39/62/11/590396211.db2.gz	JIORKONSISWTKW-UHFFFAOYSA-N	-1	2	230.267	2.204	20	10		BECDLM
[O-]c1c(F)cccc1C[N@H+]1CC[C@H](F)C1	ZINC000701672545	712026825	/nfs/dbraw/zinc/02/68/25/712026825.db2.gz	FBBKLQJCJCKQLH-VIFPVBQESA-N	-1	2	213.227	2.075	20	10		BECDLM