smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2occc2c(OC)c(C(=O)C2=CN3OC(C)=N[C@@H]3N=C2)c1O	ZINC000040878075	205083888	/nfs/dbraw/zinc/08/38/88/205083888.db2.gz	XZOJINOJOBVKGC-KRWDZBQOSA-N	0	2	357.322	2.256	1	30		FEEFLN
CCOC(=O)C1=C(N)Oc2ccc(CC)cc2[C@H]1C(C#N)C(=O)OCC	ZINC000029464668	204901161	/nfs/dbraw/zinc/90/11/61/204901161.db2.gz	NJPLTYJHRHWLJC-HIFRSBDPSA-N	0	2	358.394	2.161	1	30		FEEFLN
CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1S/C(=N/C)NC1=O	ZINC000045257781	205119130	/nfs/dbraw/zinc/11/91/30/205119130.db2.gz	VVQKZVOKNDVDFG-SECBINFHSA-N	0	2	369.468	2.088	1	30		FEEFLN
CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H]1S/C(=N/C)NC1=O	ZINC000045257781	205119133	/nfs/dbraw/zinc/11/91/33/205119133.db2.gz	VVQKZVOKNDVDFG-SECBINFHSA-N	0	2	369.468	2.088	1	30		FEEFLN
COc1c2occc2c(OC)c(C(=O)C2=CN3OC(C)=N[C@H]3N=C2)c1O	ZINC000040878079	205084073	/nfs/dbraw/zinc/08/40/73/205084073.db2.gz	XZOJINOJOBVKGC-QGZVFWFLSA-N	0	2	357.322	2.256	1	30		FEEFLN
CCCCCCCCCCCCNC(=O)[C@@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000038155351	208197760	/nfs/dbraw/zinc/19/77/60/208197760.db2.gz	BDKXPSCUPFJXEP-AWEZNQCLSA-N	0	2	352.412	2.460	1	30		FEEFLN
CCCCCCCCCCCCNC(=O)[C@@H]([NH3+])CO[P@](=O)([O-])O	ZINC000038155351	208197764	/nfs/dbraw/zinc/19/77/64/208197764.db2.gz	BDKXPSCUPFJXEP-AWEZNQCLSA-N	0	2	352.412	2.460	1	30		FEEFLN
C=CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000026944605	132306924	/nfs/dbraw/zinc/30/69/24/132306924.db2.gz	SQBJAHAACMVOOI-UHFFFAOYSA-N	0	2	371.412	2.482	1	30		FEEFLN
COc1cc(-c2nc(=S)n3nc(C)[nH]c3c2C#N)cc(OC)c1OC	ZINC000096932753	222142665	/nfs/dbraw/zinc/14/26/65/222142665.db2.gz	OFKJNMUSHITNGV-UHFFFAOYSA-N	0	2	357.395	2.286	1	30		FEEFLN
CCOC(=O)[C@@H](C#N)[C@@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1	ZINC000003611270	204108620	/nfs/dbraw/zinc/10/86/20/204108620.db2.gz	MMZNADDZFWQHHX-QPUJVOFHSA-N	0	2	360.844	2.061	1	30		FEEFLN
CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1S/C(=N/C)NC1=O	ZINC000045257786	205118583	/nfs/dbraw/zinc/11/85/83/205118583.db2.gz	VVQKZVOKNDVDFG-VIFPVBQESA-N	0	2	369.468	2.088	1	30		FEEFLN
CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H]1S/C(=N/C)NC1=O	ZINC000045257786	205118587	/nfs/dbraw/zinc/11/85/87/205118587.db2.gz	VVQKZVOKNDVDFG-VIFPVBQESA-N	0	2	369.468	2.088	1	30		FEEFLN
CCOC(=O)[C@@H](C#N)[C@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1	ZINC000003611266	204108061	/nfs/dbraw/zinc/10/80/61/204108061.db2.gz	MMZNADDZFWQHHX-UFBFGSQYSA-N	0	2	360.844	2.061	1	30		FEEFLN