smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1[nH+]c2cc(C)ccc2cc1/C=C(/C#N)C(N)=O	ZINC000033405206	263979617	/nfs/dbraw/zinc/97/96/17/263979617.db2.gz	SYPLOYPHKMSNCI-GDNBJRDFSA-N	1	2	308.385	2.782	50	50		DFGALO
Cc1ccccc1OCC(=O)N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000013113549	425748172	/nfs/dbraw/zinc/74/81/72/425748172.db2.gz	NBOZOVOAXHMYCH-UHFFFAOYSA-N	1	2	311.385	2.590	50	50		DFGALO
N#CC(C(=O)C[NH+]1CCCC1)=C1NC(c2ccccc2)=CS1	ZINC000025514456	264019650	/nfs/dbraw/zinc/01/96/50/264019650.db2.gz	RJPDSGKVYSTUER-VKAVYKQESA-N	1	2	311.410	2.721	50	50		DFGALO
N#CC1=C(N)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(F)cc1	ZINC000009244686	264021283	/nfs/dbraw/zinc/02/12/83/264021283.db2.gz	DFYFZIWGYVYMMC-OAHLLOKOSA-N	1	2	305.316	2.884	50	50	aggregator	DFGALO
N#C/C(=C\C=C\c1ccccc1)C(=O)NCCCn1cc[nH+]c1	ZINC000006309631	264016653	/nfs/dbraw/zinc/01/66/53/264016653.db2.gz	AHAUGBAGBZNWNT-JWTPKGPHSA-N	1	2	306.369	2.553	50	50		DFGALO
COc1ccc([C@H]2C(C#N)=C(N)Nc3[nH+]c4ccccc4n32)cc1	ZINC000013122638	264003048	/nfs/dbraw/zinc/00/30/48/264003048.db2.gz	GKQXKVDOJPDFAD-INIZCTEOSA-N	1	2	317.352	2.754	50	50	aggregator	DFGALO
COc1ccc([C@@H]2C(C#N)=C(N)Nc3[nH+]c4ccccc4n32)cc1	ZINC000013122637	264003141	/nfs/dbraw/zinc/00/31/41/264003141.db2.gz	GKQXKVDOJPDFAD-MRXNPFEDSA-N	1	2	317.352	2.754	50	50	aggregator	DFGALO
CN(C)c1ccc(C=[NH+]NC(=O)c2cccc3cc[nH]c32)cc1	ZINC000013110493	398387248	/nfs/dbraw/zinc/38/72/48/398387248.db2.gz	CTOKMIQHFQQZTC-UHFFFAOYSA-N	1	2	306.369	2.998	50	50		DFGALO
N#CC1=C(N)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(F)cc1	ZINC000013121706	264021671	/nfs/dbraw/zinc/02/16/71/264021671.db2.gz	DFYFZIWGYVYMMC-HNNXBMFYSA-N	1	2	305.316	2.884	50	50	aggregator	DFGALO
Cc1cccc(OCC(=O)N[NH+]=Cc2ccc(N(C)C)cc2)c1	ZINC000013114988	425748868	/nfs/dbraw/zinc/74/88/68/425748868.db2.gz	PFVRSUIRLIOBGD-UHFFFAOYSA-N	1	2	311.385	2.590	50	50		DFGALO
C[C@@H](Oc1ccccc1)C(=O)N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000006183389	398353302	/nfs/dbraw/zinc/35/33/02/398353302.db2.gz	CEPTYZLDUHLMNU-CQSZACIVSA-N	1	2	311.385	2.670	50	50		DFGALO
CCCC[C@H](CC)COC(=O)/C(C#N)=C\C=C1/OCC[N@@H+]1C	ZINC000299804283	266039875	/nfs/dbraw/zinc/03/98/75/266039875.db2.gz	PFAFVNWEHFTOLZ-VVEFGSQUSA-N	1	2	306.406	2.999	50	50		DFGALO
CCCC[C@H](CC)COC(=O)/C(C#N)=C\C=C1/OCC[N@H+]1C	ZINC000299804283	266039878	/nfs/dbraw/zinc/03/98/78/266039878.db2.gz	PFAFVNWEHFTOLZ-VVEFGSQUSA-N	1	2	306.406	2.999	50	50		DFGALO
Cc1ccc2cc(/C=C(\C#N)C(N)=O)c(N3CCCCC3)[nH+]c2c1	ZINC000025330034	264010832	/nfs/dbraw/zinc/01/08/32/264010832.db2.gz	AAISUDVSXFOHOW-LFIBNONCSA-N	1	2	320.396	2.926	50	50		DFGALO
Cc1ccc2cc(/C=C(/C#N)C(N)=O)c(N3CCCCC3)[nH+]c2c1	ZINC000020407916	264011328	/nfs/dbraw/zinc/01/13/28/264011328.db2.gz	AAISUDVSXFOHOW-WJDWOHSUSA-N	1	2	320.396	2.926	50	50		DFGALO
C[C@H](Oc1ccccc1)C(=O)N[NH+]=Cc1ccc(N(C)C)cc1	ZINC000006182817	398353320	/nfs/dbraw/zinc/35/33/20/398353320.db2.gz	CEPTYZLDUHLMNU-AWEZNQCLSA-N	1	2	311.385	2.670	50	50		DFGALO
N#C/C(=C\c1c[nH+]c2ccccn12)C(=O)NCc1ccccc1	ZINC000096298490	264901248	/nfs/dbraw/zinc/90/12/48/264901248.db2.gz	LSKZRKXMEPVSFQ-XNTDXEJSSA-N	1	2	302.337	2.558	50	50		DFGALO