smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(Oc2ccc(CNC(=O)c3ccccc3I)cc2)CC1	ZINC000216932055	569879854	/nfs/dbraw/zinc/87/98/54/569879854.db2.gz	LFBYOMOQZWDOLP-UHFFFAOYSA-N	0	3	450.320	3.694	40	70		JHIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccc(Cl)cc2Cl)cc1	ZINC000216804808	569879377	/nfs/dbraw/zinc/87/93/77/569879377.db2.gz	MIYKNNSDCGGNRC-UHFFFAOYSA-N	0	3	484.449	3.703	40	70		JHIBHN
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2Cl)cc1	ZINC000217022459	569879825	/nfs/dbraw/zinc/87/98/25/569879825.db2.gz	CZKFCIPQVQSCRX-UHFFFAOYSA-N	0	3	450.004	3.911	40	70		JHIBHN
CN1CCC(Oc2ccc(CNC(=O)c3ccc(I)cc3)cc2)CC1	ZINC000216931947	569879882	/nfs/dbraw/zinc/87/98/82/569879882.db2.gz	FSHJCMYHPUVNTF-UHFFFAOYSA-N	0	3	450.320	3.694	40	70		JHIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(CCCCc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300470	563169261	/nfs/dbraw/zinc/16/92/61/563169261.db2.gz	UNPYAIBSBRQQBR-UHFFFAOYSA-N	0	3	465.982	3.749	40	70		JHIBHN
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000218095710	569882733	/nfs/dbraw/zinc/88/27/33/569882733.db2.gz	HJDYTPQRSBDNJD-VGYAKCNGSA-N	0	3	475.589	3.785	40	70		JHIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000216801592	569879445	/nfs/dbraw/zinc/87/94/45/569879445.db2.gz	FNPQOESXASPGKP-UHFFFAOYSA-N	0	3	484.449	3.703	40	70		JHIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccccc2S(=O)(=O)F)c(Cl)c1	ZINC000043307569	563169414	/nfs/dbraw/zinc/16/94/14/563169414.db2.gz	QTRXPJLNGNXMDJ-UHFFFAOYSA-N	0	3	465.982	3.749	40	70		JHIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300593	563169255	/nfs/dbraw/zinc/16/92/55/563169255.db2.gz	JDKSXAPFLFCYJH-UHFFFAOYSA-N	0	3	465.982	3.749	40	70		JHIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000044181853	563171866	/nfs/dbraw/zinc/17/18/66/563171866.db2.gz	XQQDBGQOOHDDFC-UHFFFAOYSA-N	0	3	465.982	3.749	40	70		JHIBHN
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccc(Cl)cc2)c(C)c1	ZINC000216809261	569879459	/nfs/dbraw/zinc/87/94/59/569879459.db2.gz	JBSXHKJKJMVGES-UHFFFAOYSA-N	0	3	478.058	3.667	40	70		JHIBHN
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000218095778	569882708	/nfs/dbraw/zinc/88/27/08/569882708.db2.gz	HJDYTPQRSBDNJD-RLSPIHMPSA-N	0	3	475.589	3.785	40	70		JHIBHN
CN1CCC(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216803692	569879358	/nfs/dbraw/zinc/87/93/58/569879358.db2.gz	JHQRWGLEWRMFNR-UHFFFAOYSA-N	0	3	488.412	3.534	40	70		JHIBHN