smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccccc3I)cc2)CC1	ZINC000216932055	569879853	/nfs/dbraw/zinc/87/98/53/569879853.db2.gz	LFBYOMOQZWDOLP-UHFFFAOYSA-N	1	0	450.320	3.694	40	70		JHIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccc(Cl)cc2Cl)cc1	ZINC000216804808	569879376	/nfs/dbraw/zinc/87/93/76/569879376.db2.gz	MIYKNNSDCGGNRC-UHFFFAOYSA-N	1	0	484.449	3.703	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)c(Cl)c2)c1	ZINC000043307596	563169439	/nfs/dbraw/zinc/16/94/39/563169439.db2.gz	CPIZNVKCRSRNEQ-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2Cl)cc1	ZINC000217022459	569879824	/nfs/dbraw/zinc/87/98/24/569879824.db2.gz	CZKFCIPQVQSCRX-UHFFFAOYSA-N	1	0	450.004	3.911	40	70		JHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(I)cc3)cc2)CC1	ZINC000216931947	569879881	/nfs/dbraw/zinc/87/98/81/569879881.db2.gz	FSHJCMYHPUVNTF-UHFFFAOYSA-N	1	0	450.320	3.694	40	70		JHIBRO
O=C(Cc1cn(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc12)N1CCCCCC1	ZINC000217528950	569880258	/nfs/dbraw/zinc/88/02/58/569880258.db2.gz	QQGAORAAWOGFMB-JTHBVZDNSA-N	1	0	458.606	3.825	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c1	ZINC000043845607	563171170	/nfs/dbraw/zinc/17/11/70/563171170.db2.gz	FWXSKQKTXSXNAF-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(CCCCc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300470	563169256	/nfs/dbraw/zinc/16/92/56/563169256.db2.gz	UNPYAIBSBRQQBR-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000218095710	569882731	/nfs/dbraw/zinc/88/27/31/569882731.db2.gz	HJDYTPQRSBDNJD-VGYAKCNGSA-N	1	0	475.589	3.785	40	70		JHIBRO
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC3CC[NH+](C)CC3)c2)cc1	ZINC000217021870	569879822	/nfs/dbraw/zinc/87/98/22/569879822.db2.gz	CNZRNASPWKSHEQ-UHFFFAOYSA-N	1	0	450.004	3.911	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c1	ZINC000043307511	563169403	/nfs/dbraw/zinc/16/94/03/563169403.db2.gz	VOKDNZNHYBZQDV-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000216801592	569879444	/nfs/dbraw/zinc/87/94/44/569879444.db2.gz	FNPQOESXASPGKP-UHFFFAOYSA-N	1	0	484.449	3.703	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccccc2S(=O)(=O)F)c(Cl)c1	ZINC000043307569	563169408	/nfs/dbraw/zinc/16/94/08/563169408.db2.gz	QTRXPJLNGNXMDJ-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300593	563169250	/nfs/dbraw/zinc/16/92/50/563169250.db2.gz	JDKSXAPFLFCYJH-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
CN(c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216939838	569879849	/nfs/dbraw/zinc/87/98/49/569879849.db2.gz	ODRLKJJZACXWGZ-UHFFFAOYSA-N	1	0	450.004	3.627	40	70		JHIBRO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CC[NH+](C)CC3)c(Cl)c2)cc1	ZINC000217022065	569879860	/nfs/dbraw/zinc/87/98/60/569879860.db2.gz	LFNXJVCINPBPML-UHFFFAOYSA-N	1	0	450.004	3.911	40	70		JHIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000044181853	563171863	/nfs/dbraw/zinc/17/18/63/563171863.db2.gz	XQQDBGQOOHDDFC-UHFFFAOYSA-N	1	0	465.982	3.749	40	70		JHIBRO
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccc(Cl)cc2)c(C)c1	ZINC000216809261	569879458	/nfs/dbraw/zinc/87/94/58/569879458.db2.gz	JBSXHKJKJMVGES-UHFFFAOYSA-N	1	0	478.058	3.667	40	70		JHIBRO
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000218095778	569882706	/nfs/dbraw/zinc/88/27/06/569882706.db2.gz	HJDYTPQRSBDNJD-RLSPIHMPSA-N	1	0	475.589	3.785	40	70		JHIBRO
C[NH+]1CCC(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216803692	569879357	/nfs/dbraw/zinc/87/93/57/569879357.db2.gz	JHQRWGLEWRMFNR-UHFFFAOYSA-N	1	0	488.412	3.534	40	70		JHIBRO