smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/[NH+]=C2\CCCCCN2C)c(C#N)c1	ZINC000013111114	178359195	/nfs/dbraw/zinc/35/91/95/178359195.db2.gz	NOROOZYXBXRQNO-BMRADRMJSA-N	1	1	241.338	3.403	1	30		BGEFMO
C=CC[N@@H+]1CC[C@]2(C)c3ccccc3C[C@H]1[C@H]2C	ZINC000013742436	166359601	/nfs/dbraw/zinc/35/96/01/166359601.db2.gz	DCDPEUIZVWTSCT-COXVUDFISA-N	1	1	241.378	3.397	1	30		BGEFMO
C=CC[N@H+](c1ccncc1)n1ccc2ccccc21	ZINC000013745940	166348235	/nfs/dbraw/zinc/34/82/35/166348235.db2.gz	HPHYXLXHERUQOH-UHFFFAOYSA-N	1	1	249.317	3.492	1	30		BGEFMO
CC[C@H](C)[NH+]=CNc1ccc(-c2c[nH]cn2)cc1	ZINC000013822061	171246395	/nfs/dbraw/zinc/24/63/95/171246395.db2.gz	SKJJLZMUIPRNCX-NSHDSACASA-N	1	1	242.326	3.315	1	30		BGEFMO
C=CC[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1	ZINC000013832984	166357808	/nfs/dbraw/zinc/35/78/08/166357808.db2.gz	HJLHIMASSVYSEF-XJKSGUPXSA-N	1	1	245.366	3.178	1	30		BGEFMO
C=CC[N@H+]1CC[C@H]2c3ccccc3CC[C@H]2C1	ZINC000026164459	166359608	/nfs/dbraw/zinc/35/96/08/166359608.db2.gz	LQVKLIWEHOSMFM-GOEBONIOSA-N	1	1	227.351	3.224	1	30		BGEFMO
C=CC[N@@H+]1CC[C@]2(C)c3ccccc3C[C@H]1[C@@H]2C	ZINC000026746052	166359061	/nfs/dbraw/zinc/35/90/61/166359061.db2.gz	DCDPEUIZVWTSCT-JQFCIGGWSA-N	1	1	241.378	3.397	1	30		BGEFMO
C=C[C@]12[NH2+][C@H](Cc3ccccc31)c1ccccc12	ZINC000027888297	187208603	/nfs/dbraw/zinc/20/86/03/187208603.db2.gz	SNKVNNXKZIUUHR-SJORKVTESA-N	1	1	233.314	3.317	1	30		BGEFMO
CCCSC(Nc1cccc(C)c1)=[NH+]C	ZINC000028134014	169335374	/nfs/dbraw/zinc/33/53/74/169335374.db2.gz	KHWRIUZYYNCQCU-UHFFFAOYSA-N	1	1	222.357	3.345	1	30		BGEFMO
C=CC[N@H+]1CCc2ccsc2[C@@H]1C(C)C	ZINC000028246084	166359740	/nfs/dbraw/zinc/35/97/40/166359740.db2.gz	IUOZYCSUAHKCCP-LBPRGKRZSA-N	1	1	221.369	3.489	1	30		BGEFMO
C=CC[N@H+]1CCc2ccsc2[C@H]1C(C)C	ZINC000028246089	166357556	/nfs/dbraw/zinc/35/75/56/166357556.db2.gz	IUOZYCSUAHKCCP-GFCCVEGCSA-N	1	1	221.369	3.489	1	30		BGEFMO
CCCSC(Nc1ccccc1C)=[NH+]C	ZINC000028330700	169335172	/nfs/dbraw/zinc/33/51/72/169335172.db2.gz	XTMGLZQABBIJKD-UHFFFAOYSA-N	1	1	222.357	3.345	1	30		BGEFMO
CCCSC(Nc1ccc(C)cc1)=[NH+]C	ZINC000028342532	169335074	/nfs/dbraw/zinc/33/50/74/169335074.db2.gz	UWYQCBRUZXZLJZ-UHFFFAOYSA-N	1	1	222.357	3.345	1	30		BGEFMO
CCCSC(Nc1ccc(F)cc1)=[NH+]C	ZINC000028343045	169334820	/nfs/dbraw/zinc/33/48/20/169334820.db2.gz	NFVJBDNKWDUXQC-UHFFFAOYSA-N	1	1	226.320	3.176	1	30		BGEFMO
CCC[N@H+]1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]21	ZINC000028568414	169198645	/nfs/dbraw/zinc/19/86/45/169198645.db2.gz	QLIKRYHBUISCTR-HIFRSBDPSA-N	1	1	247.382	3.320	1	30		BGEFMO
C=CC[N@@H+]1CC[C@@]2(C)c3ccccc3C[C@@H]1[C@@H]2C	ZINC000034743347	166357930	/nfs/dbraw/zinc/35/79/30/166357930.db2.gz	DCDPEUIZVWTSCT-IAOVAPTHSA-N	1	1	241.378	3.397	1	30		BGEFMO
C=CC[N@H+]1CC[C@H]2C[C@@H](C1)c1ccccc12	ZINC000039221694	166358656	/nfs/dbraw/zinc/35/86/56/166358656.db2.gz	VUJAFSKGQJDINL-STQMWFEESA-N	1	1	213.324	3.149	1	30		BGEFMO
C[N@H+]1CCC[C@H]1/C=C1/C(=O)[C@@]2(C)CC[C@@H]1C2(C)C	ZINC000040709790	173047416	/nfs/dbraw/zinc/04/74/16/173047416.db2.gz	AKTIAMKUVHGFAN-UOYHUYMXSA-N	1	1	247.382	3.032	1	30		BGEFMO
C#C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)[N@@H+]2C	ZINC000040836355	187354436	/nfs/dbraw/zinc/35/44/36/187354436.db2.gz	XJBYWHGJCZEKEO-MWDXBVQZSA-N	1	1	239.362	3.195	1	30		BGEFMO
C#CC[N@H+]1CCc2ccccc2[C@@H]1C1CCC1	ZINC000045287762	188217045	/nfs/dbraw/zinc/21/70/45/188217045.db2.gz	YPVOXJDCZDZJRM-INIZCTEOSA-N	1	1	225.335	3.019	1	30		BGEFMO
C#CC[N@H+]1CCc2ccccc2[C@H]1C1CCC1	ZINC000045287765	188217065	/nfs/dbraw/zinc/21/70/65/188217065.db2.gz	YPVOXJDCZDZJRM-MRXNPFEDSA-N	1	1	225.335	3.019	1	30		BGEFMO