smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1c(O)c([O-])c2c(c1C=O)[C@H](O)[C@H]1[C@]2(C)CCCC1(C)C	ZINC000014966693	291005837	/nfs/dbraw/zinc/00/58/37/291005837.db2.gz	IIYLPCIYUBWRSS-ILZDJORESA-N	-1	3	332.440	4.165	1	10	biogenic,in-vitro	EICFHM
CC(=O)N[C@H](c1cccs1)c1cc(Cl)c2ccccc2c1[O-]	ZINC000036380895	202324202	/nfs/dbraw/zinc/32/42/02/202324202.db2.gz	GLWRKEARHQYZAI-INIZCTEOSA-N	-1	3	331.824	4.486	3	10		EICFHM
CC(C)c1cc2c(c(O)c1[O-])[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O	ZINC000014774386	291005843	/nfs/dbraw/zinc/00/58/43/291005843.db2.gz	WDKBIUNFLNEEEH-XOBRGWDASA-N	-1	3	330.424	4.071	1	10	biogenic,in-vitro	EICFHM
COc1cc([O-])c2c(c1C)C(=O)N1c3ccc(Cl)cc3CC[C@H]21	ZINC000028951010	202179476	/nfs/dbraw/zinc/17/94/76/202179476.db2.gz	KJBQUAUKONJUOX-CYBMUJFWSA-N	-1	3	329.783	4.010	1	10		EICFHM
O=C1c2ccccc2C(=O)c2c([O-])cc(-c3ccc(Cl)cc3)cc21	ZINC000096934746	218902190	/nfs/dbraw/zinc/90/21/90/218902190.db2.gz	UKAMCOBCIOYFLS-UHFFFAOYSA-N	-1	3	334.758	4.488	1	10		EICFHM
COc1cccc(C2=NC(C)(C)N[C@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000004729713	210262926	/nfs/dbraw/zinc/26/29/26/210262926.db2.gz	QCROZAMTXGFGND-KRWDZBQOSA-N	-1	3	344.842	4.314	1	10		EICFHM
Cc1cccc(C2=NN=C(c3ccc(Br)cc3)C2)c1[O-]	ZINC000066080394	215007581	/nfs/dbraw/zinc/00/75/81/215007581.db2.gz	ZBBCBKVXXGHTSY-UHFFFAOYSA-N	-1	3	329.197	4.060	1	10		EICFHM
CC(=O)N[C@@H](c1c[nH]c2ccccc21)c1c([O-])ccc2ccccc21	ZINC000098082295	219081365	/nfs/dbraw/zinc/08/13/65/219081365.db2.gz	RFITULLQMVLNLL-NRFANRHFSA-N	-1	3	330.387	4.252	1	10		EICFHM
CC(=O)N[C@H](c1c[nH]c2ccccc21)c1c([O-])ccc2ccccc21	ZINC000098082296	219080989	/nfs/dbraw/zinc/08/09/89/219080989.db2.gz	RFITULLQMVLNLL-OAQYLSRUSA-N	-1	3	330.387	4.252	1	10		EICFHM
[O-]c1ccccc1[C@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1	ZINC000072113293	216011459	/nfs/dbraw/zinc/01/14/59/216011459.db2.gz	PYEGVOIFSLPTBA-HXUWFJFHSA-N	-1	3	331.419	4.191	1	10		EICFHM
CCCCSc1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[n-]1	ZINC000103264501	219279307	/nfs/dbraw/zinc/27/93/07/219279307.db2.gz	WJLMDWBACOUGTJ-UHFFFAOYSA-N	-1	3	336.416	4.231	1	10		EICFHM
CC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2ccccc2c1[O-]	ZINC000036388624	213093221	/nfs/dbraw/zinc/09/32/21/213093221.db2.gz	GLWRKEARHQYZAI-MRXNPFEDSA-N	-1	3	331.824	4.486	3	10		EICFHM
[O-]c1ccccc1[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1	ZINC000072113292	216011814	/nfs/dbraw/zinc/01/18/14/216011814.db2.gz	PYEGVOIFSLPTBA-FQEVSTJZSA-N	-1	3	331.419	4.191	1	10		EICFHM
CCOc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2)cc1	ZINC000004143143	210132145	/nfs/dbraw/zinc/13/21/45/210132145.db2.gz	ONBFAYWEOYFREZ-IBGZPJMESA-N	-1	3	332.403	4.383	1	10		EICFHM
CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccccc2c1[O-]	ZINC000036388616	213093327	/nfs/dbraw/zinc/09/33/27/213093327.db2.gz	OFYVKXDSUAGNIB-KRWDZBQOSA-N	-1	3	329.783	4.407	3	10		EICFHM
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2)c(OC)c1	ZINC000096938896	218903813	/nfs/dbraw/zinc/90/38/13/218903813.db2.gz	ZCKKVHSULJQUQN-SFHVURJKSA-N	-1	3	348.402	4.001	1	10		EICFHM
CC1(C)C=Cc2c(ccc3c(=O)cc(-c4ccc([O-])c(O)c4)oc32)O1	ZINC000070455401	291005845	/nfs/dbraw/zinc/00/58/45/291005845.db2.gz	SUIZLTPVUQLVLF-UHFFFAOYSA-N	-1	3	336.343	4.055	1	10	biogenic,in-vitro	EICFHM
COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc([O-])c1O	ZINC000073200359	216363171	/nfs/dbraw/zinc/36/31/71/216363171.db2.gz	ANIWSIKUYFSRCQ-UHFFFAOYSA-N	-1	3	335.359	4.026	1	10		EICFHM
CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccccc2c1[O-]	ZINC000036380901	213092221	/nfs/dbraw/zinc/09/22/21/213092221.db2.gz	OFYVKXDSUAGNIB-QGZVFWFLSA-N	-1	3	329.783	4.407	3	10		EICFHM
COc1ccc(OC)c([N-]N=C2C(=O)Nc3ccccc3C2=O)c1	ZINC000254017993	536831565	/nfs/dbraw/zinc/83/15/65/536831565.db2.gz	QALMVSCMQMHCML-UHFFFAOYSA-N	-1	3	325.324	4.079	1	10		EICFHM
COc1cccc(C2=NC(C)(C)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000004729714	210262216	/nfs/dbraw/zinc/26/22/16/210262216.db2.gz	QCROZAMTXGFGND-QGZVFWFLSA-N	-1	3	344.842	4.314	1	10		EICFHM