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(=O)C[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000003781460	206293128	/nfs/dbraw/zinc/29/31/28/206293128.db2.gz	MVRLGJKFVUDFCR-KJEVXHAQSA-N	0	1	375.429	-0.472	1	0	investigational	GBAFMN
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O	ZINC000013802896	581097562	/nfs/dbraw/zinc/09/75/62/581097562.db2.gz	HVSTYIIEVDSSJN-CGTJXYLNSA-N	0	1	391.468	-0.107	1	0		GBAFMN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]41	ZINC000040394719	560078886	/nfs/dbraw/zinc/07/88/86/560078886.db2.gz	IRGXOUHTTCDCTK-BVPSEFMXSA-N	0	1	380.393	-0.497	1	0	biogenic,in-vitro	GBAFMN
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]41	ZINC000040410517	205065462	/nfs/dbraw/zinc/06/54/62/205065462.db2.gz	IRGXOUHTTCDCTK-ZTJWCXPSSA-N	0	1	380.393	-0.497	1	0	biogenic,in-vitro	GBAFMN
CN1CCN(c2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@](C)(O)[C@@]2(C)F)CC1	ZINC000058581093	136155516	/nfs/dbraw/zinc/15/55/16/136155516.db2.gz	PSSMTGGTMNSOKD-HSHDSVGOSA-N	0	1	380.424	-0.053	1	0		GBAFMN
CC(C)c1cc(=O)c2c([O-])cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1	ZINC000070455114	291094127	/nfs/dbraw/zinc/09/41/27/291094127.db2.gz	SSCRSMIEYROIGW-LHKMKVQPSA-N	0	1	382.365	-0.199	1	0	biogenic,in-vitro	GBAFMN
CCCc1cc(=O)c2c([O-])cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1	ZINC000070455119	291094713	/nfs/dbraw/zinc/09/47/13/291094713.db2.gz	HHSVKVXBLDSRCL-LHKMKVQPSA-N	0	1	382.365	-0.370	1	0	biogenic,in-vitro	GBAFMN
COC(=O)CCC[NH+](CCn1cnc2c1nc[nH]c2=O)CC[P@](=O)([O-])O	ZINC000095574115	211278130	/nfs/dbraw/zinc/27/81/30/211278130.db2.gz	KUXXFYBBWZPEAU-UHFFFAOYSA-N	0	1	387.333	-0.448	1	0		GBAFMN
COC(=O)CCC[NH+](CCn1cnc2c1nc[nH]c2=O)CC[P@@](=O)([O-])O	ZINC000095574115	211278127	/nfs/dbraw/zinc/27/81/27/211278127.db2.gz	KUXXFYBBWZPEAU-UHFFFAOYSA-N	0	1	387.333	-0.448	1	0		GBAFMN
COC(=O)CCC[N@@H+](CCn1cnc2c1nc[nH]c2=O)CCP(=O)([O-])O	ZINC000095574115	211278125	/nfs/dbraw/zinc/27/81/25/211278125.db2.gz	KUXXFYBBWZPEAU-UHFFFAOYSA-N	0	1	387.333	-0.448	1	0		GBAFMN
CC(=O)c1cccc(N[C@H]2[C@H](N)[C@]3(NC(=O)O[C@H]3C)[C@@](C)(O)[C@@]2(O)CO)c1	ZINC000095592806	222358288	/nfs/dbraw/zinc/35/82/88/222358288.db2.gz	UOMDPQUUOZDSTP-CEFUOXIISA-N	0	1	379.413	-0.648	1	0		GBAFMN
CCN(C(=O)CN)[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000095607401	222359704	/nfs/dbraw/zinc/35/97/04/222359704.db2.gz	XWLQZIOLUPQASH-IONNQARKSA-N	0	1	381.501	-0.190	1	0		GBAFMN
CCN(C(=O)CN)[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000095607402	222359660	/nfs/dbraw/zinc/35/96/60/222359660.db2.gz	XWLQZIOLUPQASH-VXNVDRBHSA-N	0	1	381.501	-0.190	1	0		GBAFMN
CCN(C(=O)CN)[C@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	ZINC000095607403	211282337	/nfs/dbraw/zinc/28/23/37/211282337.db2.gz	XWLQZIOLUPQASH-APPZFPTMSA-N	0	1	381.501	-0.190	1	0		GBAFMN
CCOC(=O)c1ccc(NS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	ZINC000015952739	210180296	/nfs/dbraw/zinc/18/02/96/210180296.db2.gz	YZZZNFOAGQGERC-UHFFFAOYSA-N	0	1	382.398	-0.356	3	0		GBAFMN