smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(NC2=[NH+]C[C@@H](c3ccccc3)S2)cc1	ZINC000006822956	170246502	/nfs/dbraw/zinc/24/65/02/170246502.db2.gz	ZKUXVDGYMKPMBR-INIZCTEOSA-N	1	2	282.412	4.314	10	30		CIEELO
N#CCOc1ccc([NH2+]C2CCCCCCC2)cc1	ZINC000020126403	171010541	/nfs/dbraw/zinc/01/05/41/171010541.db2.gz	ROSUIZCBELZVQY-UHFFFAOYSA-N	1	2	258.365	4.114	10	30		CIEELO
CC(C)c1ccc([C@H](C#N)[NH+]2CCCCCC2)cc1	ZINC000038086238	174096949	/nfs/dbraw/zinc/09/69/49/174096949.db2.gz	XWTMJCRKVWERFQ-KRWDZBQOSA-N	1	2	256.393	4.251	10	30		CIEELO
CC[C@@H](C)C[C@H](CC)[NH2+]c1ccc(OCC#N)cc1	ZINC000021817907	171333291	/nfs/dbraw/zinc/33/32/91/171333291.db2.gz	JVURXCAYLYVNBD-KGLIPLIRSA-N	1	2	260.381	4.216	10	30		CIEELO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cc(Cl)ccc1Cl	ZINC000251829850	334370495	/nfs/dbraw/zinc/37/04/95/334370495.db2.gz	ZFNNWPTVMNMEKU-BHDSKKPTSA-N	1	2	283.202	4.336	10	30		CIEELO
C[C@H]1C[NH+]=C(Nc2ccc(N=Cc3ccccc3)cc2)S1	ZINC000006043870	170171198	/nfs/dbraw/zinc/17/11/98/170171198.db2.gz	RJGWDUXOYVJSNK-HTMJNSLASA-N	1	2	295.411	4.340	10	30		CIEELO
CCOc1ccc(NC2=[NH+]C[C@@H](c3ccccc3)S2)cc1	ZINC000035082600	171968030	/nfs/dbraw/zinc/96/80/30/171968030.db2.gz	GLSNMPYNRIGOFC-INIZCTEOSA-N	1	2	298.411	4.151	10	30		CIEELO
CC(C)c1ccc([C@@H](C#N)[NH+]2CCCCCC2)cc1	ZINC000038086237	174096899	/nfs/dbraw/zinc/09/68/99/174096899.db2.gz	XWTMJCRKVWERFQ-QGZVFWFLSA-N	1	2	256.393	4.251	10	30		CIEELO
N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1ccco1	ZINC000187047424	329352042	/nfs/dbraw/zinc/35/20/42/329352042.db2.gz	NCPYUAKVHDSUKU-OAHLLOKOSA-N	1	2	286.762	4.142	10	30		CIEELO
N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1ccco1	ZINC000187047424	329352043	/nfs/dbraw/zinc/35/20/43/329352043.db2.gz	NCPYUAKVHDSUKU-OAHLLOKOSA-N	1	2	286.762	4.142	10	30		CIEELO
Cc1cc(N[C@H]2CCCc3sccc32)c(C#N)c(C)[nH+]1	ZINC000156576009	525302424	/nfs/dbraw/zinc/30/24/24/525302424.db2.gz	KJSVBENKTLCHNJ-AWEZNQCLSA-N	1	2	283.400	4.121	10	30		CIEELO
CC[C@H](C[C@@H](C)CC)[NH2+]c1ccc(OCC#N)cc1	ZINC000021817906	171333235	/nfs/dbraw/zinc/33/32/35/171333235.db2.gz	JVURXCAYLYVNBD-UONOGXRCSA-N	1	2	260.381	4.216	10	30		CIEELO
Cc1ccc(C=Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)o1	ZINC000005941618	170159907	/nfs/dbraw/zinc/15/99/07/170159907.db2.gz	WGJZPUYCMATRNT-RQZCQDPDSA-N	1	2	267.332	4.338	10	30		CIEELO
CC(C)c1[nH]c2ccc(N=Cc3ccccc3)cc2[nH+]1	ZINC000008618273	170342845	/nfs/dbraw/zinc/34/28/45/170342845.db2.gz	YRWKFQZASWBICF-WOJGMQOQSA-N	1	2	263.344	4.437	10	30		CIEELO
N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1ccco1	ZINC000187047406	329351815	/nfs/dbraw/zinc/35/18/15/329351815.db2.gz	NCPYUAKVHDSUKU-HNNXBMFYSA-N	1	2	286.762	4.142	10	30		CIEELO
N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1ccco1	ZINC000187047406	329351816	/nfs/dbraw/zinc/35/18/16/329351816.db2.gz	NCPYUAKVHDSUKU-HNNXBMFYSA-N	1	2	286.762	4.142	10	30		CIEELO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl	ZINC000054823833	330238687	/nfs/dbraw/zinc/23/86/87/330238687.db2.gz	CXCBIZWHHRBPSQ-RBZYPMLTSA-N	1	2	283.202	4.336	10	30		CIEELO
C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1Cl	ZINC000251492194	334362278	/nfs/dbraw/zinc/36/22/78/334362278.db2.gz	CXCBIZWHHRBPSQ-BHDSKKPTSA-N	1	2	283.202	4.336	10	30		CIEELO
C[C@@H]1C[NH+]=C(Nc2ccc(N=Cc3ccccc3)cc2)S1	ZINC000006043808	170171136	/nfs/dbraw/zinc/17/11/36/170171136.db2.gz	RJGWDUXOYVJSNK-RNEAKCBISA-N	1	2	295.411	4.340	10	30		CIEELO
CC(C)c1[nH]c2ccc(N=Cc3cccs3)cc2[nH+]1	ZINC000005911499	170154606	/nfs/dbraw/zinc/15/46/06/170154606.db2.gz	JIZINPQWDHHQSI-CXUHLZMHSA-N	1	2	269.373	4.498	10	30		CIEELO
CCc1ccc(NC2=[NH+]C[C@H](c3ccccc3)S2)cc1	ZINC000006822954	170246475	/nfs/dbraw/zinc/24/64/75/170246475.db2.gz	ZKUXVDGYMKPMBR-MRXNPFEDSA-N	1	2	282.412	4.314	10	30		CIEELO
CC[C@H](C)C[C@H](CC)[NH2+]c1ccc(OCC#N)cc1	ZINC000021817909	171333296	/nfs/dbraw/zinc/33/32/96/171333296.db2.gz	JVURXCAYLYVNBD-KBPBESRZSA-N	1	2	260.381	4.216	10	30		CIEELO
CC[C@H](C)[NH2+]C1(C#N)CCC(C(C)(C)CC)CC1	ZINC000038064695	174075162	/nfs/dbraw/zinc/07/51/62/174075162.db2.gz	FJEXVUSODYSIGC-HLIUYOAVSA-N	1	2	250.430	4.263	10	30		CIEELO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cc(Cl)ccc1Cl	ZINC000251829852	334370528	/nfs/dbraw/zinc/37/05/28/334370528.db2.gz	ZFNNWPTVMNMEKU-PKFCDNJMSA-N	1	2	283.202	4.336	10	30		CIEELO
CC[C@@H](CC#N)[N@H+](C)[C@@H](C)c1ccccc1Cl	ZINC000062014215	522464640	/nfs/dbraw/zinc/46/46/40/522464640.db2.gz	RUWJGIWZPBIJMQ-RYUDHWBXSA-N	1	2	250.773	4.025	10	30		CIEELO
CC[C@@H](CC#N)[N@@H+](C)[C@@H](C)c1ccccc1Cl	ZINC000062014215	522464650	/nfs/dbraw/zinc/46/46/50/522464650.db2.gz	RUWJGIWZPBIJMQ-RYUDHWBXSA-N	1	2	250.773	4.025	10	30		CIEELO
CC[C@@H](C)C[C@@H](CC)[NH2+]c1ccc(OCC#N)cc1	ZINC000021817904	171333435	/nfs/dbraw/zinc/33/34/35/171333435.db2.gz	JVURXCAYLYVNBD-ZIAGYGMSSA-N	1	2	260.381	4.216	10	30		CIEELO
Clc1ccc2c(NN=Cc3ccccc3)cc[nH+]c2c1	ZINC000006346065	170194455	/nfs/dbraw/zinc/19/44/55/170194455.db2.gz	NWLRNZBSRSGYDK-YBFXNURJSA-N	1	2	281.746	4.334	10	30		CIEELO
CC(C)n1cc[nH+]c1CS[C@H](C)c1cccc(C#N)c1	ZINC000190806279	264969904	/nfs/dbraw/zinc/96/99/04/264969904.db2.gz	NOWGGQDWRYSNKT-CYBMUJFWSA-N	1	2	285.416	4.330	10	30		CIEELO
Cc1cc(N[C@@H]2CCCc3sccc32)c(C#N)c(C)[nH+]1	ZINC000156575885	525295236	/nfs/dbraw/zinc/29/52/36/525295236.db2.gz	KJSVBENKTLCHNJ-CQSZACIVSA-N	1	2	283.400	4.121	10	30		CIEELO
C=CCc1ccccc1OCCn1c(C)[nH+]c2ccccc21	ZINC000040224642	174208121	/nfs/dbraw/zinc/20/81/21/174208121.db2.gz	BLEZCYWVVBRLCI-UHFFFAOYSA-N	1	2	292.382	4.152	10	30		CIEELO
CC(C)n1cc[nH+]c1CSc1ccc(C#N)cc1Cl	ZINC000163312704	261312359	/nfs/dbraw/zinc/31/23/59/261312359.db2.gz	GJYHQKJXGCTBDU-UHFFFAOYSA-N	1	2	291.807	4.281	10	30		CIEELO
Cc1cc(Nc2ccsc2Cl)c(C#N)c(C)[nH+]1	ZINC000302489621	261352816	/nfs/dbraw/zinc/35/28/16/261352816.db2.gz	JKOZVGGIEWOIIS-UHFFFAOYSA-N	1	2	263.753	4.029	10	30		CIEELO
C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cc(Cl)ccc1Cl	ZINC000061891188	333475068	/nfs/dbraw/zinc/47/50/68/333475068.db2.gz	ZFNNWPTVMNMEKU-RBZYPMLTSA-N	1	2	283.202	4.336	10	30		CIEELO
CC[C@@H](C)[NH2+]C1(C#N)CCC(C(C)(C)CC)CC1	ZINC000038064694	174075443	/nfs/dbraw/zinc/07/54/43/174075443.db2.gz	FJEXVUSODYSIGC-VQCLRJIVSA-N	1	2	250.430	4.263	10	30		CIEELO
Cc1cc(C)c([C@H](C#N)[NH+]2CCCCCC2)c(C)c1	ZINC000038086112	174096863	/nfs/dbraw/zinc/09/68/63/174096863.db2.gz	XLLVDXQSZAHENR-INIZCTEOSA-N	1	2	256.393	4.053	10	30		CIEELO
C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1Cl	ZINC000251492199	334362293	/nfs/dbraw/zinc/36/22/93/334362293.db2.gz	CXCBIZWHHRBPSQ-PKFCDNJMSA-N	1	2	283.202	4.336	10	30		CIEELO
Cc1cc(N[C@@H](C)c2ccccc2Cl)c(C#N)c(C)[nH+]1	ZINC000156559626	525293272	/nfs/dbraw/zinc/29/32/72/525293272.db2.gz	NJIKGMIYLGKFQY-NSHDSACASA-N	1	2	285.778	4.397	10	30		CIEELO
C=CCOc1cccc(-c2c[nH+]cn2Cc2ccccc2)c1	ZINC000090750782	180035586	/nfs/dbraw/zinc/03/55/86/180035586.db2.gz	IJLFSKZQIKNGSZ-UHFFFAOYSA-N	1	2	290.366	4.163	10	30		CIEELO
C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl	ZINC000054823831	330238639	/nfs/dbraw/zinc/23/86/39/330238639.db2.gz	CXCBIZWHHRBPSQ-IMSIIYSGSA-N	1	2	283.202	4.336	10	30		CIEELO
CC(C)c1[nH]c2ccc(N=Cc3ccc(O)cc3)cc2[nH+]1	ZINC000005911477	170154426	/nfs/dbraw/zinc/15/44/26/170154426.db2.gz	QMOSQYAPRHMVFZ-VCHYOVAHSA-N	1	2	279.343	4.143	10	30		CIEELO
CC(C)c1[nH]c2ccc(N=Cc3ccccc3O)cc2[nH+]1	ZINC000005911491	170154585	/nfs/dbraw/zinc/15/45/85/170154585.db2.gz	BCSUWKSSAXOQSU-VCHYOVAHSA-N	1	2	279.343	4.143	10	30		CIEELO
Oc1ccc(Cl)cc1/C=[NH+]\CCC1=CCCCC1	ZINC000005943835	170159911	/nfs/dbraw/zinc/15/99/11/170159911.db2.gz	FQGOOIOTVZKCRQ-BOPFTXTBSA-N	1	2	263.768	4.355	10	30		CIEELO
Cc1cc(C)c([C@@H](C#N)[NH+]2CCCCCC2)c(C)c1	ZINC000038086111	174096659	/nfs/dbraw/zinc/09/66/59/174096659.db2.gz	XLLVDXQSZAHENR-MRXNPFEDSA-N	1	2	256.393	4.053	10	30		CIEELO
Cc1cc(N[C@H](C)c2ccccc2Cl)c(C#N)c(C)[nH+]1	ZINC000156559753	525301484	/nfs/dbraw/zinc/30/14/84/525301484.db2.gz	NJIKGMIYLGKFQY-LLVKDONJSA-N	1	2	285.778	4.397	10	30		CIEELO