smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216790953	569879288	/nfs/dbraw/zinc/87/92/88/569879288.db2.gz	LTHUJPQJPQJHGB-UHFFFAOYSA-N	1	2	457.383	2.906	40	70		JFIBLO
Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216844002	569879774	/nfs/dbraw/zinc/87/97/74/569879774.db2.gz	QGIVCVODKGPZKI-UHFFFAOYSA-N	1	2	457.581	2.702	40	70		JFIBLO
COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784503	569879282	/nfs/dbraw/zinc/87/92/82/569879282.db2.gz	KRWZBYMMKOLLKO-UHFFFAOYSA-N	1	2	468.373	2.646	40	70		JFIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216790891	569879311	/nfs/dbraw/zinc/87/93/11/569879311.db2.gz	XJDQJJRZEGFFDN-UHFFFAOYSA-N	1	2	457.383	2.906	40	70		JFIBLO
Cc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c1	ZINC000216879606	569879863	/nfs/dbraw/zinc/87/98/63/569879863.db2.gz	GAUNQTRMVKSNQU-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216786189	569879293	/nfs/dbraw/zinc/87/92/93/569879293.db2.gz	VNDHFWQLRSVJRY-UHFFFAOYSA-N	1	2	489.594	2.841	40	70		JFIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216793964	569879427	/nfs/dbraw/zinc/87/94/27/569879427.db2.gz	PUTTUSWHEPWGRK-UHFFFAOYSA-N	1	2	450.992	2.951	40	70		JFIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCCc1ccc(Cl)cc1	ZINC000216864204	569879768	/nfs/dbraw/zinc/87/97/68/569879768.db2.gz	ZEDCVORLZIJULN-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216858130	569879806	/nfs/dbraw/zinc/87/98/06/569879806.db2.gz	LKRTXVTWPUTTPH-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000216871890	569879762	/nfs/dbraw/zinc/87/97/62/569879762.db2.gz	GZEFHWDROGHTNZ-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216858086	569879782	/nfs/dbraw/zinc/87/97/82/569879782.db2.gz	AEJLRRBWIPDXFM-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000216787911	569879295	/nfs/dbraw/zinc/87/92/95/569879295.db2.gz	IAEIHQFLMFLIGQ-UHFFFAOYSA-N	1	2	457.474	2.902	40	70		JFIBLO
CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(S(=O)(=O)NC)c2)cc1	ZINC000216792309	569879301	/nfs/dbraw/zinc/87/93/01/569879301.db2.gz	UGUSPLNDESLEMZ-UHFFFAOYSA-N	1	2	488.610	2.556	40	70		JFIBLO
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216871822	569879730	/nfs/dbraw/zinc/87/97/30/569879730.db2.gz	TYISOJGGMNIUPE-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791086	569879297	/nfs/dbraw/zinc/87/92/97/569879297.db2.gz	ILFUPMCHCRLNGE-UHFFFAOYSA-N	1	2	456.490	2.618	40	70		JFIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCCc1ccccc1Cl	ZINC000216864174	569879728	/nfs/dbraw/zinc/87/97/28/569879728.db2.gz	QWNUQXREHRBYOG-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)CC1	ZINC000216887020	569879843	/nfs/dbraw/zinc/87/98/43/569879843.db2.gz	OHFQODLMRMDJFZ-UHFFFAOYSA-N	1	2	450.004	2.780	40	70		JFIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216794143	569879360	/nfs/dbraw/zinc/87/93/60/569879360.db2.gz	TWVMOVLXGQJQEV-UHFFFAOYSA-N	1	2	454.955	2.781	40	70		JFIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216793837	569879394	/nfs/dbraw/zinc/87/93/94/569879394.db2.gz	FXSUMSIEEDHSKY-UHFFFAOYSA-N	1	2	481.416	2.751	40	70		JFIBLO
Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216879538	569879812	/nfs/dbraw/zinc/87/98/12/569879812.db2.gz	SOZQHKSVPRRYIO-UHFFFAOYSA-N	1	2	450.004	2.947	40	70		JFIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216794583	569879368	/nfs/dbraw/zinc/87/93/68/569879368.db2.gz	UGOVUYZPSGQCET-UHFFFAOYSA-N	1	2	466.991	2.651	40	70		JFIBLO
COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1Cl	ZINC000216785283	569879269	/nfs/dbraw/zinc/87/92/69/569879269.db2.gz	OUXKDEKUOOWOMO-UHFFFAOYSA-N	1	2	453.948	2.546	40	70		JFIBLO
COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784902	569879276	/nfs/dbraw/zinc/87/92/76/569879276.db2.gz	IRPAGHARMBFXRL-UHFFFAOYSA-N	1	2	457.474	2.902	40	70		JFIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(Br)cc1	ZINC000216787519	569879325	/nfs/dbraw/zinc/87/93/25/569879325.db2.gz	MUESHDPJYLOUAI-UHFFFAOYSA-N	1	2	468.373	2.646	40	70		JFIBLO
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1Cl	ZINC000216788305	569879333	/nfs/dbraw/zinc/87/93/33/569879333.db2.gz	NJBOBSPLWOOQJY-UHFFFAOYSA-N	1	2	453.948	2.546	40	70		JFIBLO
CCCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1	ZINC000216788999	569879335	/nfs/dbraw/zinc/87/93/35/569879335.db2.gz	OBPHXPDZUFOXRO-UHFFFAOYSA-N	1	2	489.594	2.841	40	70		JFIBLO
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216795895	569879371	/nfs/dbraw/zinc/87/93/71/569879371.db2.gz	IHOFSKIITRNPCY-UHFFFAOYSA-N	1	2	467.613	2.556	40	70		JFIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1	ZINC000216886964	569879827	/nfs/dbraw/zinc/87/98/27/569879827.db2.gz	NZICUZYVEDYYEQ-UHFFFAOYSA-N	1	2	450.004	2.780	40	70		JFIBLO