smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4C([O-])=C[N+]#N)[C@@H]3CC[C@@H]12	ZINC000169369896	206252872	/nfs/dbraw/zinc/25/28/72/206252872.db2.gz	VYFIQXXVEPQANM-VZCAXEHESA-N	0	1	357.498	3.336	1	10		FGCFMN
COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1	ZINC000045191167	208327836	/nfs/dbraw/zinc/32/78/36/208327836.db2.gz	XVLOPOLQURRPGC-VOJFVSQTSA-N	0	1	351.830	3.275	1	10		FGCFMN
COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1	ZINC000045191176	208327742	/nfs/dbraw/zinc/32/77/42/208327742.db2.gz	XVLOPOLQURRPGC-ADLMAVQZSA-N	0	1	351.830	3.275	1	10		FGCFMN
O=c1c2cc(O)c(O)c(O)c2nc(-c2ccccc2)n1Cc1ccccc1	ZINC000096285600	209150674	/nfs/dbraw/zinc/15/06/74/209150674.db2.gz	JQFLKAJQKGNCSW-UHFFFAOYSA-N	0	1	360.369	3.229	1	10		FGCFMN
COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c1	ZINC000045191170	208326453	/nfs/dbraw/zinc/32/64/53/208326453.db2.gz	XVLOPOLQURRPGC-ZMZPIMSZSA-N	0	1	351.830	3.275	1	10		FGCFMN
CC(C)C(=O)Oc1cc(=O)c2c(O)cc(-c3ccc(O)c(O)c3)oc-2c1	ZINC000064447501	212037094	/nfs/dbraw/zinc/03/70/94/212037094.db2.gz	LYMSWBFVESOLER-UHFFFAOYSA-N	0	1	356.330	3.138	1	10		FGCFMN
COc1ccc(N2CCN(CC[C@@H]3c4ccccc4C(=O)N3C)CC2)cc1	ZINC000029243705	536698944	/nfs/dbraw/zinc/69/89/44/536698944.db2.gz	JSGIEHICMIFPBV-OAQYLSRUSA-N	0	1	365.477	3.034	1	10		FGCFMN
NC(=O)C1CC[NH+](Cc2c3cc(Cc4ccccc4)oc3ccc2[O-])CC1	ZINC000103262348	222329499	/nfs/dbraw/zinc/32/94/99/222329499.db2.gz	TUGRBQOPMQPTAJ-UHFFFAOYSA-N	0	1	364.445	3.427	1	10		FGCFMN
O=C(/C=C/c1cccnc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1	ZINC000058580950	221121706	/nfs/dbraw/zinc/12/17/06/221121706.db2.gz	JEQUFOMACVFUTB-ONEGZZNKSA-N	0	1	365.216	3.398	1	10		FGCFMN
C[N@H+]1CCCC[C@H]1c1c([O-])cc2oc(C3=CC[C@@H](O)C=C3)cc(=O)c2c1[O-]	ZINC000069482286	291068994	/nfs/dbraw/zinc/06/89/94/291068994.db2.gz	DRAZRISCPQMUES-KBPBESRZSA-N	0	1	369.417	3.065	1	10	biogenic,in-vitro	FGCFMN
O=c1oc2cc(/C=C/c3ccc(O)cc3)oc(=O)c2c2cc(O)c(O)cc12	ZINC000014589300	560222610	/nfs/dbraw/zinc/22/26/10/560222610.db2.gz	PHNDPMPVQSECSJ-ZZXKWVIFSA-N	0	1	364.309	3.187	1	10	biogenic,in-vitro	FGCFMN
CC(C)(C)c1cc(C=C2SC(NC(=N)N)=NC2=O)cc(C(C)(C)C)c1O	ZINC000013734178	581095078	/nfs/dbraw/zinc/09/50/78/581095078.db2.gz	HFGVQPHQMVEBSM-LCYFTJDESA-N	0	1	374.510	3.441	1	10		FGCFMN
CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4C([O-])=C[N+]#N)[C@@H]3CC[C@@H]12	ZINC000169369897	222568015	/nfs/dbraw/zinc/56/80/15/222568015.db2.gz	VYFIQXXVEPQANM-VMAJUSJQSA-N	0	1	357.498	3.336	1	10		FGCFMN
COc1c(Oc2ccc(O)c(O)c2)oc2c(C)c(O)c(C)c(O)c2c1=O	ZINC000095486286	291070147	/nfs/dbraw/zinc/07/01/47/291070147.db2.gz	QFSVMALFWLWANL-UHFFFAOYSA-N	0	1	360.318	3.033	1	10	biogenic,in-vitro	FGCFMN
COc1cccc([C@H]2N[C@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@@H]2C)c1O	ZINC000013142245	220059892	/nfs/dbraw/zinc/05/98/92/220059892.db2.gz	LWFFAIDGWKLELR-VVDPLQPHSA-N	0	1	371.433	3.342	1	10		FGCFMN