smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NC(=O)CCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000043307764	563169452	/nfs/dbraw/zinc/16/94/52/563169452.db2.gz	WOKPARJRGNUMDA-UHFFFAOYSA-N	1	0	460.535	2.410	40	70		JEIBRO
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC[NH+](C)CC2)cc1OC	ZINC000216800709	569879440	/nfs/dbraw/zinc/87/94/40/569879440.db2.gz	BQZGTRGSFSDHQY-UHFFFAOYSA-N	1	0	475.611	2.148	40	70		JEIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043871764	563171214	/nfs/dbraw/zinc/17/12/14/563171214.db2.gz	AEHVUROEVKHVAH-UHFFFAOYSA-N	1	0	460.535	2.492	40	70		JEIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043307421	563169233	/nfs/dbraw/zinc/16/92/33/563169233.db2.gz	BYLGMGAZOFKLLC-UHFFFAOYSA-N	1	0	460.535	2.492	40	70		JEIBRO
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C)CC1	ZINC000216821211	569879606	/nfs/dbraw/zinc/87/96/06/569879606.db2.gz	ZGIBSNQVYPCJRE-IBGZPJMESA-N	1	0	466.003	2.449	40	70		JEIBRO
COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000216800899	569879411	/nfs/dbraw/zinc/87/94/11/569879411.db2.gz	YQCDYBVSHKQJBY-UHFFFAOYSA-N	1	0	477.583	2.118	40	70		JEIBRO
COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1	ZINC000216812950	569879462	/nfs/dbraw/zinc/87/94/62/569879462.db2.gz	YLMUMYYXZRZRGG-UHFFFAOYSA-N	1	0	461.584	2.418	40	70		JEIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCC(=O)Nc2ccccc2S(=O)(=O)F)cc1	ZINC000043300614	563169344	/nfs/dbraw/zinc/16/93/44/563169344.db2.gz	MCOVTUHRINHXFP-UHFFFAOYSA-N	1	0	460.535	2.492	40	70		JEIBRO
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC[NH+](C)CC2)cc1C	ZINC000216811914	569879530	/nfs/dbraw/zinc/87/95/30/569879530.db2.gz	OGIRUGQZNFAHID-UHFFFAOYSA-N	1	0	459.612	2.447	40	70		JEIBRO
Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCc2ccccc2C1	ZINC000217568903	569880298	/nfs/dbraw/zinc/88/02/98/569880298.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	1	0	472.589	2.430	40	70		JEIBRO
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1Cl	ZINC000216820177	569879588	/nfs/dbraw/zinc/87/95/88/569879588.db2.gz	ALXBEJGNNXLNBI-FQEVSTJZSA-N	1	0	466.003	2.449	40	70		JEIBRO
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C)CC1	ZINC000216821250	569879624	/nfs/dbraw/zinc/87/96/24/569879624.db2.gz	ZGIBSNQVYPCJRE-LJQANCHMSA-N	1	0	466.003	2.449	40	70		JEIBRO
COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)OC(C)(C)OC2=O)cc1	ZINC000217469613	569880071	/nfs/dbraw/zinc/88/00/71/569880071.db2.gz	CANLEWXPTZODFA-RBUKOAKNSA-N	1	0	466.534	2.341	40	70		JEIBRO
COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2)cc1OC	ZINC000216800531	569879424	/nfs/dbraw/zinc/87/94/24/569879424.db2.gz	UEEZZICSJBAMCA-UHFFFAOYSA-N	1	0	461.584	2.105	40	70		JEIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300452	563169337	/nfs/dbraw/zinc/16/93/37/563169337.db2.gz	QADXPABWHTZYHG-UHFFFAOYSA-N	1	0	482.925	2.201	40	70		JEIBRO
COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)C2CCCCC2)cc1OC	ZINC000216801074	569879395	/nfs/dbraw/zinc/87/93/95/569879395.db2.gz	BWNNVBDJVGNRDI-UHFFFAOYSA-N	1	0	453.605	2.238	40	70		JEIBRO
COc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1	ZINC000216813451	569879516	/nfs/dbraw/zinc/87/95/16/569879516.db2.gz	CGBDVECITYWZPC-UHFFFAOYSA-N	1	0	461.584	2.418	40	70		JEIBRO
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1Cl	ZINC000216820209	569879556	/nfs/dbraw/zinc/87/95/56/569879556.db2.gz	ALXBEJGNNXLNBI-HXUWFJFHSA-N	1	0	466.003	2.449	40	70		JEIBRO