smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(C=Nc2cc[nH]n2)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000072175940	203182237	/nfs/dbraw/zinc/18/22/37/203182237.db2.gz	WWWOXRYQWXPRGG-SSZFMOIBSA-N	-1	0	329.363	3.157	1	10		EGCFRM
CCCOC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049066838	581094887	/nfs/dbraw/zinc/09/48/87/581094887.db2.gz	CJAXPEVRJYPGMK-UHFFFAOYSA-N	-1	0	331.733	3.441	1	10		EGCFRM
COc1cccc(N=Nc2c(N)[n-]n3c2nc2c(c3=O)CCCC2)c1	ZINC000102725477	204047264	/nfs/dbraw/zinc/04/72/64/204047264.db2.gz	BMAIUVFYUMWBIJ-MRCUWXFGSA-N	-1	0	338.371	3.320	1	10		EGCFRM
C[C@@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040465556	213308741	/nfs/dbraw/zinc/30/87/41/213308741.db2.gz	XTFJLUYMPYNUJZ-VNJZOLLTSA-N	-1	0	326.356	3.295	1	10		EGCFRM
Cc1nc2c(C(=O)NCCC3=CCCCC3)c[n-]n2c(=O)c1Cl	ZINC000004437678	210193200	/nfs/dbraw/zinc/19/32/00/210193200.db2.gz	FRGZLXDVWBJHRU-UHFFFAOYSA-N	-1	0	334.807	3.017	1	10		EGCFRM
Cc1cc(N=Cc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)n[nH]1	ZINC000072175185	216065263	/nfs/dbraw/zinc/06/52/63/216065263.db2.gz	YVEMKKJWGGYNSQ-LGMDPLHJSA-N	-1	0	343.390	3.465	1	10		EGCFRM
O=C([O-])CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000000025697	208550919	/nfs/dbraw/zinc/55/09/19/208550919.db2.gz	AHIJTWCJGCWHMT-UHFFFAOYSA-N	-1	0	333.343	3.078	1	10	in-vivo	EGCFRM
CC[C@@H]1CC(=O)c2c(cc([O-])c3c2C(=O)c2cccc(O)c2C3=O)C1	ZINC000013379071	560215818	/nfs/dbraw/zinc/21/58/18/560215818.db2.gz	YXEPHAVILJDRHK-VIFPVBQESA-N	-1	0	336.343	3.028	1	10	in-vitro	EGCFRM
CC[C@]1(C)C(=O)c2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O	ZINC000027979090	202162425	/nfs/dbraw/zinc/16/24/25/202162425.db2.gz	XDXSTWNRNGNHIG-CQSZACIVSA-N	-1	0	331.151	3.252	1	10		EGCFRM
O=C([O-])c1cc(-c2ccc(O)c(O)c2)nc2n[nH]c(-c3ccccc3)c21	ZINC000020134782	202033309	/nfs/dbraw/zinc/03/33/09/202033309.db2.gz	WZTYAOOSELRBHO-UHFFFAOYSA-N	-1	0	347.330	3.401	1	10		EGCFRM
CC[NH+](CC)Cc1c([O-])ccc2c(CCCCC(=O)[O-])cc(=O)oc21	ZINC000026150773	202139326	/nfs/dbraw/zinc/13/93/26/202139326.db2.gz	IGBRKNBGTQBMJS-UHFFFAOYSA-N	-1	0	347.411	3.138	1	10		EGCFRM
C[C@@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C	ZINC000013125731	201056716	/nfs/dbraw/zinc/05/67/16/201056716.db2.gz	UMGNGSNVYJDUQS-ZETCQYMHSA-N	-1	0	328.320	3.122	3	10		EGCFRM
CCOCc1cc(O)c(O)c(Br)c1Br	ZINC000013450397	201057467	/nfs/dbraw/zinc/05/74/67/201057467.db2.gz	KEOOZBGAPIEERQ-UHFFFAOYSA-N	-1	0	325.984	3.159	1	10		EGCFRM
CC[C@@]1(C)C(=O)c2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O	ZINC000027979083	202163425	/nfs/dbraw/zinc/16/34/25/202163425.db2.gz	XDXSTWNRNGNHIG-AWEZNQCLSA-N	-1	0	331.151	3.252	1	10		EGCFRM
O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4[nH]c3cc(O)c12	ZINC000101100279	219116477	/nfs/dbraw/zinc/11/64/77/219116477.db2.gz	LCEVOWBTRGTTAG-UHFFFAOYSA-N	-1	0	328.327	3.382	1	10	in-vivo	EGCFRM
Cc1[n-]n(C(N)=S)c(=O)c1/N=N/c1ccccc1C(F)(F)F	ZINC000169325775	533653067	/nfs/dbraw/zinc/65/30/67/533653067.db2.gz	QHJICCNZXUBFMC-ISLYRVAYSA-N	-1	0	329.307	3.011	1	10		EGCFRM
CC(C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064393143	1292054746	/nfs/dbraw/zinc/05/47/46/1292054746.db2.gz	OPMWPKGBXFCEOL-UHFFFAOYSA-N	-1	0	328.320	3.364	1	10		EGCFRM
O=C([O-])c1cc(-c2ccnn2-c2cccc(Cl)c2)cc(O)c1O	ZINC000049072790	213983771	/nfs/dbraw/zinc/98/37/71/213983771.db2.gz	CUYHFJIAGBFPCE-UHFFFAOYSA-N	-1	0	330.727	3.302	1	10		EGCFRM
CCOCc1cc(Br)c(O)c(O)c1Br	ZINC000038356134	213207891	/nfs/dbraw/zinc/20/78/91/213207891.db2.gz	VMBLTZAYZFEFDT-UHFFFAOYSA-N	-1	0	325.984	3.159	1	10		EGCFRM
CC(C)OC(=O)c1sc2c(cc(O)c([O-])c2[N+](=O)[O-])c1Cl	ZINC000049112311	581094878	/nfs/dbraw/zinc/09/48/78/581094878.db2.gz	POKYHCUJXGDDRU-UHFFFAOYSA-N	-1	0	331.733	3.439	1	10		EGCFRM
C[C@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040465561	213308618	/nfs/dbraw/zinc/30/86/18/213308618.db2.gz	XTFJLUYMPYNUJZ-PBAXFDQFSA-N	-1	0	326.356	3.295	1	10		EGCFRM
COc1cccc(N=Nc2c(N)[n-]n3c2nc2c(c3=O)CCCC2)c1	ZINC000101918351	219172643	/nfs/dbraw/zinc/17/26/43/219172643.db2.gz	BMAIUVFYUMWBIJ-QZQOTICOSA-N	-1	0	338.371	3.320	1	10		EGCFRM
Cn1c2c(c3ccc(CCCC(=O)[O-])cc3c1=O)C(=O)c1ccccc1-2	ZINC000095583255	218440635	/nfs/dbraw/zinc/44/06/35/218440635.db2.gz	BQKSNSVXYYPRHC-UHFFFAOYSA-N	-1	0	347.370	3.157	1	10		EGCFRM