smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323475	172126452	/nfs/dbraw/zinc/12/64/52/172126452.db2.gz	DALMASPWAKGCJH-ARYYTZDLSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323475	172126454	/nfs/dbraw/zinc/12/64/54/172126454.db2.gz	DALMASPWAKGCJH-ARYYTZDLSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[NH+](C)[C@@H](CCc1[nH]c(C[C@H]([NH3+])C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000013532339	560218813	/nfs/dbraw/zinc/21/88/13/560218813.db2.gz	GFBGZDGVFNNXRE-IUCAKERBSA-N	1	2	284.316	-0.689	1	0	in-vitro	CBAFLO
C[C@H](O)[C@@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100388209	574418197	/nfs/dbraw/zinc/41/81/97/574418197.db2.gz	GDUDUWGYZVHEIT-YLWLKBPMSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
C[C@H](O)[C@@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100388209	574418198	/nfs/dbraw/zinc/41/81/98/574418198.db2.gz	GDUDUWGYZVHEIT-YLWLKBPMSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
CC[C@H](C)[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771149	574418521	/nfs/dbraw/zinc/41/85/21/574418521.db2.gz	PFUZINYUQIJPNG-LKEWCRSYSA-N	1	2	259.306	-0.805	1	0	endogenous,in-vitro	CBAFLO
C[C@H]([C@H](O)c1ccccc1)[N@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323472	172126028	/nfs/dbraw/zinc/12/60/28/172126028.db2.gz	DALMASPWAKGCJH-UKHFBKCJSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323472	172126029	/nfs/dbraw/zinc/12/60/29/172126029.db2.gz	DALMASPWAKGCJH-UKHFBKCJSA-N	1	2	297.351	-0.521	2	0		CBAFLO
CCc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000045302881	175355914	/nfs/dbraw/zinc/35/59/14/175355914.db2.gz	OODFDDNYAJVSSI-PRULPYPASA-N	1	2	279.296	-0.395	1	0		CBAFLO
[NH3+][C@H](CCC(=O)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000095617782	571796060	/nfs/dbraw/zinc/79/60/60/571796060.db2.gz	XWHWNYMBZXDFRP-GHMZBOCLSA-N	1	2	293.323	-0.609	1	0	endogenous,in-man	CBAFLO
O=c1[nH]cnc2c(C[NH+]3CC(CO)(CO)C3)c[nH]c21	ZINC000014977911	581101372	/nfs/dbraw/zinc/10/13/72/581101372.db2.gz	YYJBQFBSERVXHQ-UHFFFAOYSA-N	1	2	264.285	-0.550	1	0		CBAFLO
CC(C)C[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617757	185016370	/nfs/dbraw/zinc/01/63/70/185016370.db2.gz	GSRPWCGECLOSNH-YUMQZZPRSA-N	1	2	259.306	-0.805	1	0	endogenous,in-man	CBAFLO
O=C1[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CC[NH+]1CCOCC1	ZINC000064527127	527119176	/nfs/dbraw/zinc/11/91/76/527119176.db2.gz	WMJYGJFARJIVNA-USZNOCQGSA-N	1	2	280.324	-0.519	1	0		CBAFLO
CC[C@@H](C)[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771151	574418524	/nfs/dbraw/zinc/41/85/24/574418524.db2.gz	PFUZINYUQIJPNG-BHNWBGBOSA-N	1	2	259.306	-0.805	1	0	endogenous,in-vitro	CBAFLO
CC(C)C[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000095617759	185016246	/nfs/dbraw/zinc/01/62/46/185016246.db2.gz	GSRPWCGECLOSNH-SFYZADRCSA-N	1	2	259.306	-0.805	1	0	endogenous,in-man	CBAFLO
C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323469	172126473	/nfs/dbraw/zinc/12/64/73/172126473.db2.gz	DALMASPWAKGCJH-IUCIJCHOSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323469	172126477	/nfs/dbraw/zinc/12/64/77/172126477.db2.gz	DALMASPWAKGCJH-IUCIJCHOSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[C@@H](O)[C@@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100388203	574418185	/nfs/dbraw/zinc/41/81/85/574418185.db2.gz	GDUDUWGYZVHEIT-SVGQVSJJSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
C[C@@H](O)[C@@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100388203	574418186	/nfs/dbraw/zinc/41/81/86/574418186.db2.gz	GDUDUWGYZVHEIT-SVGQVSJJSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
CC(=O)N[C@H]1[C@H]([NH+]2CCC2)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000014944930	581098722	/nfs/dbraw/zinc/09/87/22/581098722.db2.gz	NBJSIQRSLYGYHV-HBNTYKKESA-N	1	2	253.302	-0.693	1	0		CBAFLO
Nc1nc2c(C[NH+](CCO)CCO)c[nH]c2c(=O)[nH]1	ZINC000034802527	581100444	/nfs/dbraw/zinc/10/04/44/581100444.db2.gz	RQFCXZOEUWEVIX-UHFFFAOYSA-N	1	2	267.289	-0.968	1	0		CBAFLO
Cc1nc2c(ccn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(N)[nH+]1	ZINC000096902849	185128751	/nfs/dbraw/zinc/12/87/51/185128751.db2.gz	LDNDODQBCHXFEA-IVZWLZJFSA-N	1	2	264.285	-0.037	1	0		CBAFLO
Nc1nc(NCCC[C@@]([NH3+])(C(=O)[O-])C(F)F)nc(N)[nH+]1	ZINC000040395326	174252602	/nfs/dbraw/zinc/25/26/02/174252602.db2.gz	JWMAXRFNPYDNPF-VIFPVBQESA-N	1	2	291.262	-0.725	1	0		CBAFLO
Nc1nc(N)[nH+]c(NCCC[C@@]([NH3+])(C(=O)[O-])C(F)F)n1	ZINC000040395326	174252604	/nfs/dbraw/zinc/25/26/04/174252604.db2.gz	JWMAXRFNPYDNPF-VIFPVBQESA-N	1	2	291.262	-0.725	1	0		CBAFLO
CC[C@@H](C)[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000025666089	571740885	/nfs/dbraw/zinc/74/08/85/571740885.db2.gz	IDXZDKMBEXLFMB-FKTZTGRPSA-N	1	2	268.317	-0.105	1	0	endogenous,in-vitro	CBAFLO
C[C@H](O)C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100386865	571805896	/nfs/dbraw/zinc/80/58/96/571805896.db2.gz	MWFRRQKSRNTJCI-CAHLUQPWSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
NC1([NH3+])C=C([S@@](=O)c2ccccc2)C=CC1(O)O	ZINC000086862224	220199032	/nfs/dbraw/zinc/19/90/32/220199032.db2.gz	IPIWBTVXVUYXDQ-GOSISDBHSA-N	1	2	266.322	-0.458	2	0		CBAFLO
CC[C@@H](C)[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000006024682	574412648	/nfs/dbraw/zinc/41/26/48/574412648.db2.gz	IDXZDKMBEXLFMB-SZEHBUNVSA-N	1	2	268.317	-0.105	1	0	endogenous,in-man	CBAFLO
Cn1c2ccccc2nc1C[N@@H+]1C[C@H](O)[C@H](O)[C@H]1CO	ZINC000040430879	174259995	/nfs/dbraw/zinc/25/99/95/174259995.db2.gz	KJIDXMUFCYWOOR-MBNYWOFBSA-N	1	2	277.324	-0.528	1	0		CBAFLO
Cn1c2ccccc2nc1C[N@H+]1C[C@H](O)[C@H](O)[C@H]1CO	ZINC000040430879	174259997	/nfs/dbraw/zinc/25/99/97/174259997.db2.gz	KJIDXMUFCYWOOR-MBNYWOFBSA-N	1	2	277.324	-0.528	1	0		CBAFLO
C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323478	290197911	/nfs/dbraw/zinc/19/79/11/290197911.db2.gz	DALMASPWAKGCJH-NUPQKNFTSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035323478	290197913	/nfs/dbraw/zinc/19/79/13/290197913.db2.gz	DALMASPWAKGCJH-NUPQKNFTSA-N	1	2	297.351	-0.521	2	0		CBAFLO
C[C@H](O)C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100386873	574417716	/nfs/dbraw/zinc/41/77/16/574417716.db2.gz	MWFRRQKSRNTJCI-FSPLSTOPSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
C[C@@H](O)[C@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100388213	574418221	/nfs/dbraw/zinc/41/82/21/574418221.db2.gz	GDUDUWGYZVHEIT-XRGYYRRGSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
C[C@@H](O)[C@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100388213	574418222	/nfs/dbraw/zinc/41/82/22/574418222.db2.gz	GDUDUWGYZVHEIT-XRGYYRRGSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
CC(C)C[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617758	185016390	/nfs/dbraw/zinc/01/63/90/185016390.db2.gz	GSRPWCGECLOSNH-JGVFFNPUSA-N	1	2	259.306	-0.805	1	0	endogenous,in-man	CBAFLO
Nc1nc(NCCC[C@]([NH3+])(C(=O)[O-])C(F)F)nc(N)[nH+]1	ZINC000040395325	174252718	/nfs/dbraw/zinc/25/27/18/174252718.db2.gz	JWMAXRFNPYDNPF-SECBINFHSA-N	1	2	291.262	-0.725	1	0		CBAFLO
Nc1nc(N)[nH+]c(NCCC[C@]([NH3+])(C(=O)[O-])C(F)F)n1	ZINC000040395325	174252719	/nfs/dbraw/zinc/25/27/19/174252719.db2.gz	JWMAXRFNPYDNPF-SECBINFHSA-N	1	2	291.262	-0.725	1	0		CBAFLO
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000034273693	571750535	/nfs/dbraw/zinc/75/05/35/571750535.db2.gz	LNCFUHAPNTYMJB-RKDXNWHRSA-N	1	2	252.274	-0.645	1	0	endogenous,in-man	CBAFLO
[NH3+][C@H](CCC(=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000095617781	571796143	/nfs/dbraw/zinc/79/61/43/571796143.db2.gz	XWHWNYMBZXDFRP-MNOVXSKESA-N	1	2	293.323	-0.609	1	0	endogenous,in-man	CBAFLO
CC[C@H](C)[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617756	574417017	/nfs/dbraw/zinc/41/70/17/574417017.db2.gz	PFUZINYUQIJPNG-ACLDMZEESA-N	1	2	259.306	-0.805	1	0	endogenous,in-man	CBAFLO
Cc1[nH+]cnc2c1ccn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O	ZINC000095563358	185010756	/nfs/dbraw/zinc/01/07/56/185010756.db2.gz	LLAWFVVUPYICOG-UTUOFQBUSA-N	1	2	261.281	-0.065	1	0		CBAFLO
CC[C@@H](C)[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771147	574418514	/nfs/dbraw/zinc/41/85/14/574418514.db2.gz	PFUZINYUQIJPNG-ZXFLCMHBSA-N	1	2	259.306	-0.805	1	0	endogenous,in-vitro	CBAFLO
[NH3+][C@@H](CCC(=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000095617779	571796200	/nfs/dbraw/zinc/79/62/00/571796200.db2.gz	XWHWNYMBZXDFRP-QWRGUYRKSA-N	1	2	293.323	-0.609	1	0	endogenous,in-man	CBAFLO
[NH3+][C@H](Cc1ccccc1)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617780	571796287	/nfs/dbraw/zinc/79/62/87/571796287.db2.gz	XWHWNYMBZXDFRP-WDEREUQCSA-N	1	2	293.323	-0.609	1	0	endogenous,in-man	CBAFLO
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000034273694	571750608	/nfs/dbraw/zinc/75/06/08/571750608.db2.gz	LNCFUHAPNTYMJB-BDAKNGLRSA-N	1	2	252.274	-0.645	1	0	endogenous,in-man	CBAFLO
C[C@@H](O)C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100386871	574417762	/nfs/dbraw/zinc/41/77/62/574417762.db2.gz	MWFRRQKSRNTJCI-VDTYLAMSSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
C[C@H](O)[C@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100388218	571809598	/nfs/dbraw/zinc/80/95/98/571809598.db2.gz	GDUDUWGYZVHEIT-XNCJUZBTSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
C[C@H](O)[C@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100388218	571809603	/nfs/dbraw/zinc/80/96/03/571809603.db2.gz	GDUDUWGYZVHEIT-XNCJUZBTSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
NC1([NH3+])C=C([S@](=O)c2ccccc2)C=CC1(O)O	ZINC000086862222	220199142	/nfs/dbraw/zinc/19/91/42/220199142.db2.gz	IPIWBTVXVUYXDQ-SFHVURJKSA-N	1	2	266.322	-0.458	2	0		CBAFLO
C[NH+](C)[C@H](CCc1[nH]c(C[C@H]([NH3+])C(=O)[O-])c[nH+]1)C(=O)[O-]	ZINC000013532342	560218819	/nfs/dbraw/zinc/21/88/19/560218819.db2.gz	GFBGZDGVFNNXRE-DTWKUNHWSA-N	1	2	284.316	-0.689	1	0	in-vitro	CBAFLO
CC(C)C[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000095617760	185016205	/nfs/dbraw/zinc/01/62/05/185016205.db2.gz	GSRPWCGECLOSNH-HTQZYQBOSA-N	1	2	259.306	-0.805	1	0	endogenous,in-man	CBAFLO
CCOCn1c(N)c(C(N)=O)c2c1nc[nH+]c2N	ZINC000005844913	170146833	/nfs/dbraw/zinc/14/68/33/170146833.db2.gz	XSIVWMZRTYXSLI-UHFFFAOYSA-N	1	2	250.262	-0.311	1	0		CBAFLO
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(F)c2c1nc[nH+]c2N	ZINC000006716094	170232129	/nfs/dbraw/zinc/23/21/29/170232129.db2.gz	YOAGQSGRMBEQCY-YUTYNTIBSA-N	1	2	298.274	-0.846	1	0		CBAFLO
CC[C@H](C)[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000013514839	574413300	/nfs/dbraw/zinc/41/33/00/574413300.db2.gz	PFUZINYUQIJPNG-ZKWXMUAHSA-N	1	2	259.306	-0.805	1	0	endogenous,in-man	CBAFLO
C[C@@H](O)C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100386858	574417658	/nfs/dbraw/zinc/41/76/58/574417658.db2.gz	MWFRRQKSRNTJCI-IYSWYEEDSA-N	1	2	256.262	-0.938	1	0	endogenous,in-vitro	CBAFLO
CC[C@H](C)[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771152	574418529	/nfs/dbraw/zinc/41/85/29/574418529.db2.gz	PFUZINYUQIJPNG-OOZYFLPDSA-N	1	2	259.306	-0.805	1	0	endogenous,in-vitro	CBAFLO
CNc1[nH+]cnc2c1cnn2COC[C@@H](O)CO	ZINC000006481963	170205049	/nfs/dbraw/zinc/20/50/49/170205049.db2.gz	ZOQCRVXKHYDEIH-ZETCQYMHSA-N	1	2	253.262	-0.805	1	0		CBAFLO