smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+]1CC[C@H]2c3cccc(C#N)c3CC[C@@H]21	ZINC000026665592	166358963	/nfs/dbraw/zinc/35/89/63/166358963.db2.gz	ZOXQOLDAOFYVMZ-HOTGVXAUSA-N	1	1	238.334	2.848	1	30		BFEFMO
C=CC[N@@H+]1C[C@H]2C[C@@]2(c2ccc(C)cc2)C1	ZINC000027552030	166361257	/nfs/dbraw/zinc/36/12/57/166361257.db2.gz	WNFJMANZFHWBJK-CABCVRRESA-N	1	1	213.324	2.754	1	30		BFEFMO
C[N@H+]1CCCC[C@H]1/C=C1\CCCCC1=O	ZINC000013554131	173007875	/nfs/dbraw/zinc/00/78/75/173007875.db2.gz	DEYDTFXUHYVURR-IIANPFDCSA-N	1	1	207.317	2.540	1	30		BFEFMO
C[N@H+]1CCCC[C@H]1/C=C1/CCCCC1=O	ZINC000013554135	173008079	/nfs/dbraw/zinc/00/80/79/173008079.db2.gz	DEYDTFXUHYVURR-WEHUKYGOSA-N	1	1	207.317	2.540	1	30		BFEFMO
N#Cc1ccc([C@H]2CCCc3c[nH+]cn32)c(F)c1	ZINC000103231349	181130157	/nfs/dbraw/zinc/13/01/57/181130157.db2.gz	SENWRDHZQKBEPY-CQSZACIVSA-N	1	1	241.269	2.820	1	30		BFEFMO
C#CC[N@@H+](C)[C@H](C)[C@@H](F)c1ccccc1	ZINC000073160010	166160693	/nfs/dbraw/zinc/16/06/93/166160693.db2.gz	LUGLODFDTPSDMS-DGCLKSJQSA-N	1	1	205.276	2.651	1	30		BFEFMO
C#CC[N@H+](C)[C@H](C)[C@@H](F)c1ccccc1	ZINC000073160010	166160695	/nfs/dbraw/zinc/16/06/95/166160695.db2.gz	LUGLODFDTPSDMS-DGCLKSJQSA-N	1	1	205.276	2.651	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2Cc3c(cccc3OC)C[C@H]21	ZINC000013826569	166359576	/nfs/dbraw/zinc/35/95/76/166359576.db2.gz	ASEDQXVCNPLEIO-UKRRQHHQSA-N	1	1	243.350	2.670	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3cccc(OC)c3CC[C@H]21	ZINC000000004906	166357548	/nfs/dbraw/zinc/35/75/48/166357548.db2.gz	ZRAGXRIXRXDXCR-DZGCQCFKSA-N	1	1	243.350	2.985	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2Cc3cccc(OC)c3C[C@H]21	ZINC000013826588	166358196	/nfs/dbraw/zinc/35/81/96/166358196.db2.gz	RRAWYIITFCQESJ-UKRRQHHQSA-N	1	1	243.350	2.670	1	30		BFEFMO
C#CC[N@@H+](CCF)[C@H](C)Cc1ccccc1	ZINC000073160008	188047685	/nfs/dbraw/zinc/04/76/85/188047685.db2.gz	ZKSBNFGJRLFTMX-CYBMUJFWSA-N	1	1	219.303	2.522	1	30		BFEFMO
C#CC[N@H+](CCF)[C@H](C)Cc1ccccc1	ZINC000073160008	188047687	/nfs/dbraw/zinc/04/76/87/188047687.db2.gz	ZKSBNFGJRLFTMX-CYBMUJFWSA-N	1	1	219.303	2.522	1	30		BFEFMO
C=CC[N@H+]1CC[C@@H]2c3cccc(C#N)c3CC[C@@H]21	ZINC000026665598	166359543	/nfs/dbraw/zinc/35/95/43/166359543.db2.gz	ZOXQOLDAOFYVMZ-CVEARBPZSA-N	1	1	238.334	2.848	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2c3cccc(OC)c3CC[C@@H]21	ZINC000013738284	166359583	/nfs/dbraw/zinc/35/95/83/166359583.db2.gz	ZRAGXRIXRXDXCR-HIFRSBDPSA-N	1	1	243.350	2.985	1	30		BFEFMO
C#CC[C@H]1C[N@@H+](C)CCc2cc(Cl)c(O)cc21	ZINC000027317406	187207448	/nfs/dbraw/zinc/20/74/48/187207448.db2.gz	MJBXDMCRKLENIA-NSHDSACASA-N	1	1	249.741	2.640	1	30		BFEFMO
C=CC[N@@H+]1C[C@@H]2C[C@]2(c2ccc(C)cc2)C1	ZINC000027552033	166361626	/nfs/dbraw/zinc/36/16/26/166361626.db2.gz	WNFJMANZFHWBJK-LSDHHAIUSA-N	1	1	213.324	2.754	1	30		BFEFMO
C#CC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1	ZINC000013682207	166204631	/nfs/dbraw/zinc/20/46/31/166204631.db2.gz	RRFLDGUEDAERPR-OAHLLOKOSA-N	1	1	241.334	2.665	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2Cc3cccc(OC)c3C[C@@H]21	ZINC000013826559	166358736	/nfs/dbraw/zinc/35/87/36/166358736.db2.gz	RRAWYIITFCQESJ-HIFRSBDPSA-N	1	1	243.350	2.670	1	30		BFEFMO
C[N@H+]1CCC=C(c2c[nH]c3ccc(C#N)cc23)C1	ZINC000026745903	187254566	/nfs/dbraw/zinc/25/45/66/187254566.db2.gz	WVVCLAHKAJICIB-UHFFFAOYSA-N	1	1	237.306	2.758	1	30		BFEFMO
C#CC[N@@H+](C)[C@H](C)[C@@H]([18F])c1ccccc1	ZINC000102908082	166161289	/nfs/dbraw/zinc/16/12/89/166161289.db2.gz	LUGLODFDTPSDMS-DTIOTQPPSA-N	1	1	204.279	2.651	1	30		BFEFMO
C#CC[N@H+](C)[C@H](C)[C@@H]([18F])c1ccccc1	ZINC000102908082	166161292	/nfs/dbraw/zinc/16/12/92/166161292.db2.gz	LUGLODFDTPSDMS-DTIOTQPPSA-N	1	1	204.279	2.651	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2Cc3cccc(OC)c3C[C@@H]21	ZINC000013826909	166357500	/nfs/dbraw/zinc/35/75/00/166357500.db2.gz	RRAWYIITFCQESJ-ZFWWWQNUSA-N	1	1	243.350	2.670	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2Cc3c(cccc3OC)C[C@@H]21	ZINC000013826549	166358144	/nfs/dbraw/zinc/35/81/44/166358144.db2.gz	ASEDQXVCNPLEIO-HIFRSBDPSA-N	1	1	243.350	2.670	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2c3c(cccc3OC)CC[C@H]21	ZINC000013826494	166359724	/nfs/dbraw/zinc/35/97/24/166359724.db2.gz	VRRJFCMGNMFNOE-UONOGXRCSA-N	1	1	243.350	2.985	1	30		BFEFMO
C[N@H+]1CCCC[C@@H]1/C=C1\CCCCC1=O	ZINC000013554130	173004965	/nfs/dbraw/zinc/00/49/65/173004965.db2.gz	DEYDTFXUHYVURR-HCRIHEDKSA-N	1	1	207.317	2.540	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3c(cccc3OC)CC[C@H]21	ZINC000003790769	166357450	/nfs/dbraw/zinc/35/74/50/166357450.db2.gz	VRRJFCMGNMFNOE-ZIAGYGMSSA-N	1	1	243.350	2.985	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2Cc3c(cccc3OC)C[C@H]21	ZINC000013826565	166358232	/nfs/dbraw/zinc/35/82/32/166358232.db2.gz	ASEDQXVCNPLEIO-DZGCQCFKSA-N	1	1	243.350	2.670	1	30		BFEFMO
C=CC[N@@H+]1C[C@H]2c3c(cccc3OC)CC[C@H]21	ZINC000013826921	166362024	/nfs/dbraw/zinc/36/20/24/166362024.db2.gz	FLYJXYQYBLPWIJ-CHWSQXEVSA-N	1	1	229.323	2.595	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3c(cccc3OC)CC[C@@H]21	ZINC000013826492	166358294	/nfs/dbraw/zinc/35/82/94/166358294.db2.gz	VRRJFCMGNMFNOE-KGLIPLIRSA-N	1	1	243.350	2.985	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3cc(O)ccc3C[C@@H]1[C@H]2C	ZINC000027555677	166359415	/nfs/dbraw/zinc/35/94/15/166359415.db2.gz	ZOJJMIHMCCDEFD-SGIREYDYSA-N	1	1	243.350	2.928	1	30		BFEFMO
C[N@H+]1CCCC[C@@H]1/C=C1/CCCCC1=O	ZINC000013554134	173005055	/nfs/dbraw/zinc/00/50/55/173005055.db2.gz	DEYDTFXUHYVURR-NLYDNYMLSA-N	1	1	207.317	2.540	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2c3c(cccc3OC)CC[C@@H]21	ZINC000013826496	166358670	/nfs/dbraw/zinc/35/86/70/166358670.db2.gz	VRRJFCMGNMFNOE-KBPBESRZSA-N	1	1	243.350	2.985	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2Cc3c(cccc3OC)C[C@@H]21	ZINC000013826567	166359052	/nfs/dbraw/zinc/35/90/52/166359052.db2.gz	ASEDQXVCNPLEIO-ZFWWWQNUSA-N	1	1	243.350	2.670	1	30		BFEFMO
C[N@H+]1CCC[C@H]1/C=C1\CCc2ccccc2C1=O	ZINC000013554148	173047449	/nfs/dbraw/zinc/04/74/49/173047449.db2.gz	REQALFQZLCDGAX-CMPYXILNSA-N	1	1	241.334	2.836	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2c3cccc(OC)c3CC[C@H]21	ZINC000013826504	166357576	/nfs/dbraw/zinc/35/75/76/166357576.db2.gz	ZRAGXRIXRXDXCR-UKRRQHHQSA-N	1	1	243.350	2.985	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3c(O)cccc3CC[C@@H]21	ZINC000013826533	166358289	/nfs/dbraw/zinc/35/82/89/166358289.db2.gz	NLAWPJROLJRPAW-OLZOCXBDSA-N	1	1	229.323	2.682	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3cccc(OC)c3CC[C@@H]21	ZINC000000013943	166358643	/nfs/dbraw/zinc/35/86/43/166358643.db2.gz	ZRAGXRIXRXDXCR-ZFWWWQNUSA-N	1	1	243.350	2.985	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3cccc(O)c3CC[C@@H]21	ZINC000013826535	166358676	/nfs/dbraw/zinc/35/86/76/166358676.db2.gz	MHHLELSXRBTNRD-JSGCOSHPSA-N	1	1	229.323	2.682	1	30		BFEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NOCc1ccccc1)C2	ZINC000049054627	173205768	/nfs/dbraw/zinc/20/57/68/173205768.db2.gz	VTNOZEZJNIVGAV-GASCZTMLSA-N	1	1	244.338	2.816	1	30		BFEFMO
C#CC[C@@H]1C[N@@H+](C)CCc2cc(Cl)c(O)cc21	ZINC000027317409	166204854	/nfs/dbraw/zinc/20/48/54/166204854.db2.gz	MJBXDMCRKLENIA-LLVKDONJSA-N	1	1	249.741	2.640	1	30		BFEFMO
C=CC[N@@H+]1CC[C@H]2c3cc(O)ccc3C[C@@H]1[C@@H]2C	ZINC000027555679	166358322	/nfs/dbraw/zinc/35/83/22/166358322.db2.gz	ZOJJMIHMCCDEFD-DJSGYFEHSA-N	1	1	243.350	2.928	1	30		BFEFMO
C=CC[N@@H+]1CC[C@@H]2c3c(O)cccc3CC[C@@H]21	ZINC000026004509	166358378	/nfs/dbraw/zinc/35/83/78/166358378.db2.gz	NLAWPJROLJRPAW-STQMWFEESA-N	1	1	229.323	2.682	1	30		BFEFMO