smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1C=NNc1nnc(SCCC(=O)Nc2cccc(N3CCCC3=O)c2)[n-]1	ZINC000020274681	555749628	/nfs/dbraw/zinc/74/96/28/555749628.db2.gz	BCKOXOLHYISPNM-BUVRLJJBSA-N	-1	3	479.566	3.507	10	30		JHEEHM
COc1ccccc1C=[NH+][N-]c1nnc(SCCC(=O)Nc2cccc(N3CCCC3=O)c2)[n-]1	ZINC000020274681	555749631	/nfs/dbraw/zinc/74/96/31/555749631.db2.gz	BCKOXOLHYISPNM-BUVRLJJBSA-N	-1	3	479.566	3.507	10	30		JHEEHM
COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)[n-]2)c1	ZINC000020157462	555676220	/nfs/dbraw/zinc/67/62/20/555676220.db2.gz	KPEWHYZSJOCTFI-ROTLSHHCSA-N	-1	3	467.580	3.802	10	30		JHEEHM
COc1cccc(C(C)=[NH+][N-]c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)[n-]2)c1	ZINC000020157462	555676221	/nfs/dbraw/zinc/67/62/21/555676221.db2.gz	KPEWHYZSJOCTFI-ROTLSHHCSA-N	-1	3	467.580	3.802	10	30		JHEEHM
C=C(C)[C@H](CCC(C)(C)O)Cc1c([O-])cc(OC)c2c1O[C@H](c1ccc(O)cc1O)[C@H](O)C2=O	ZINC000013817014	555629717	/nfs/dbraw/zinc/62/97/17/555629717.db2.gz	YWHHRFNOJTVNBI-LBEFLKDASA-N	-1	3	472.534	3.775	10	30	biogenic	JHEEHM
CCOc1cc(C=[NH+][N-]c2nnc(SCC(=O)NCc3ccc(C(F)(F)F)cc3)[n-]2)ccc1O	ZINC000020175754	555681685	/nfs/dbraw/zinc/68/16/85/555681685.db2.gz	ZTDQRBVZUSEYRY-KBKYJPHKSA-N	-1	3	494.499	3.782	10	30		JHEEHM
CCOc1cc(C=NNc2nnc(SCC(=O)NCc3ccc(C(F)(F)F)cc3)[n-]2)ccc1O	ZINC000020175754	555681689	/nfs/dbraw/zinc/68/16/89/555681689.db2.gz	ZTDQRBVZUSEYRY-KBKYJPHKSA-N	-1	3	494.499	3.782	10	30		JHEEHM
CCCCCCCn1c(NN=Cc2cc(Br)ccc2[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000261493211	570170222	/nfs/dbraw/zinc/17/02/22/570170222.db2.gz	FDABBENJMHBBFQ-WSDLNYQXSA-N	-1	3	477.363	3.720	10	30		JHEEHM
COc1ccc(C=NN=C2SCC([O-])=C2NCc2ccc(OC)c(Br)c2)cc1	ZINC000020247881	555742428	/nfs/dbraw/zinc/74/24/28/555742428.db2.gz	SHWUHZKVPYIYSK-IFFLJZBCSA-N	-1	3	462.369	3.673	10	30		JHEEHM
O=C(CSc1nnc([N-][NH+]=Cc2ccc(Br)cc2)[n-]1)c1ccc2c(c1)OCO2	ZINC000020457370	527049209	/nfs/dbraw/zinc/04/92/09/527049209.db2.gz	XMRJQZMEARTIKV-DNTJNYDQSA-N	-1	3	460.313	3.717	10	30		JHEEHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1	ZINC000009373277	527392454	/nfs/dbraw/zinc/39/24/54/527392454.db2.gz	CUWINULYBRRGTA-FYJGNVAPSA-N	-1	3	453.505	3.821	10	30		JHEEHM
Cc1csc(NC(=O)CSc2nnc([N-][NH+]=Cc3cccc(Br)c3)[n-]2)n1	ZINC000020427013	526385913	/nfs/dbraw/zinc/38/59/13/526385913.db2.gz	XBXPTVRTFMIODA-UBKPWBPPSA-N	-1	3	452.363	3.509	10	30		JHEEHM
COc1ccc(C=NN=C2SCC([O-])=C2NCc2ccc(OC)c(Br)c2)cc1	ZINC000103603654	569836699	/nfs/dbraw/zinc/83/66/99/569836699.db2.gz	SHWUHZKVPYIYSK-KFQDUJLBSA-N	-1	3	462.369	3.673	10	30		JHEEHM