smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([P@@](=O)([O-])O)cc1	ZINC000002163543	342716529	/nfs/dbraw/zinc/71/65/29/342716529.db2.gz	ORUZLAKPEKBACC-UHFFFAOYSA-N	-1	2	202.146	0.888	50	0		BCAALM
CCOc1ccc([P@](=O)([O-])O)cc1	ZINC000002163543	342716530	/nfs/dbraw/zinc/71/65/30/342716530.db2.gz	ORUZLAKPEKBACC-UHFFFAOYSA-N	-1	2	202.146	0.888	50	0		BCAALM
O=C([O-])c1cnc(NS(=O)(=O)C2CC2)s1	ZINC000720013793	537832293	/nfs/dbraw/zinc/83/22/93/537832293.db2.gz	NUCIKIMXOXMZGP-UHFFFAOYSA-N	-1	2	248.285	0.745	50	0		BCAALM
O=C([O-])c1c(O)c(=O)[nH]c2ccccc21	ZINC000027558673	369094999	/nfs/dbraw/zinc/09/49/99/369094999.db2.gz	NVHPOGJAGZDJGV-UHFFFAOYSA-N	-1	2	205.169	0.932	50	0		BCAALM
Cc1nc2cc[nH]n2c(=O)c1CCC(=O)[O-]	ZINC000105817690	180109011	/nfs/dbraw/zinc/10/90/11/180109011.db2.gz	CIIFPTCDAIMYKA-UHFFFAOYSA-N	-1	2	221.216	0.761	50	0		BCAALM
O=C([O-])C1(C(=O)O)Cc2ccccc2C1	ZINC000001698839	383925768	/nfs/dbraw/zinc/92/57/68/383925768.db2.gz	RYGAENQWIQPFAI-UHFFFAOYSA-N	-1	2	206.197	0.941	50	0		BCAALM
O=C([O-])c1cccc(-c2n[nH]c(=O)[nH]2)c1	ZINC000061811293	182575110	/nfs/dbraw/zinc/57/51/10/182575110.db2.gz	VMPNECGGXVTSGE-UHFFFAOYSA-N	-1	2	205.173	0.463	50	0		BCAALM
O=C([O-])CCCCCCC1=C(O)[C@H](O)CC1=O	ZINC000071774323	384178439	/nfs/dbraw/zinc/17/84/39/384178439.db2.gz	ASUMHSZQZHAHEA-WCBMZHEXSA-N	-1	2	242.271	0.931	50	0		BCAALM
Cc1nnc(Nc2cccc(C(=O)[O-])c2)[nH]c1=O	ZINC000005009329	384374922	/nfs/dbraw/zinc/37/49/22/384374922.db2.gz	PYYFLRSJKWQKGQ-UHFFFAOYSA-N	-1	2	246.226	0.915	50	0		BCAALM
Cc1cc(=O)n2nc(CCC(=O)[O-])[nH]c2n1	ZINC000013687237	178201864	/nfs/dbraw/zinc/20/18/64/178201864.db2.gz	NFFXYFDMOODOFS-UHFFFAOYSA-N	-1	2	222.204	0.156	50	0		BCAALM
C[C@@H](C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O	ZINC000006381974	342777226	/nfs/dbraw/zinc/77/72/26/342777226.db2.gz	QMVNDZXSEVJREA-UWTATZPHSA-N	-1	2	216.218	0.365	50	0		BCAALM
Cc1sc(NS(C)(=O)=O)nc1C(=O)[O-]	ZINC000011730769	342842692	/nfs/dbraw/zinc/84/26/92/342842692.db2.gz	CLQAQHCJFJHEOI-UHFFFAOYSA-N	-1	2	236.274	0.521	50	0		BCAALM
Cc1cc(C(=O)[O-])n(-c2nnc(C)c(=O)[nH]2)n1	ZINC000041125467	187264179	/nfs/dbraw/zinc/26/41/79/187264179.db2.gz	NDFJMDCCADTVOV-UHFFFAOYSA-N	-1	2	235.203	0.078	50	0		BCAALM
O=C([O-])c1cnc(NS(=O)(=O)C2CC2)o1	ZINC000725256581	538057971	/nfs/dbraw/zinc/05/79/71/538057971.db2.gz	WAULWRXONRJJKC-UHFFFAOYSA-N	-1	2	232.217	0.277	50	0		BCAALM
CCS(=O)(=O)Nc1ncc(C(=O)[O-])o1	ZINC000725256585	538058498	/nfs/dbraw/zinc/05/84/98/538058498.db2.gz	WIXPFXANCQGVRR-UHFFFAOYSA-N	-1	2	220.206	0.134	50	0		BCAALM
Cc1[nH]c(C)c([N+](=O)[O-])c(=O)c1C(=O)[O-]	ZINC000048532986	368377336	/nfs/dbraw/zinc/37/73/36/368377336.db2.gz	OFKMRZGBJBSIKU-UHFFFAOYSA-N	-1	2	212.161	0.598	50	0		BCAALM
CCc1c(C)nc2[nH]c(CC(=O)[O-])nn2c1=O	ZINC000008856161	372925419	/nfs/dbraw/zinc/92/54/19/372925419.db2.gz	JTIMELGNUKFPNL-UHFFFAOYSA-N	-1	2	236.231	0.328	50	0		BCAALM
O=C([O-])CCCCCCC1=C(O)[C@H](O)CC1=O	ZINC000071774322	182436929	/nfs/dbraw/zinc/43/69/29/182436929.db2.gz	ASUMHSZQZHAHEA-PSASIEDQSA-N	-1	2	242.271	0.931	50	0		BCAALM
O=C([O-])c1ccccc1-c1n[nH]c(=O)[nH]1	ZINC000042040646	182580392	/nfs/dbraw/zinc/58/03/92/182580392.db2.gz	LYKVXQYFBOHUKK-UHFFFAOYSA-N	-1	2	205.173	0.876	50	0		BCAALM
C[NH+]1CCC(c2[nH]cc(C(=O)[O-])[nH+]2)CC1	ZINC000685939212	538886541	/nfs/dbraw/zinc/88/65/41/538886541.db2.gz	CUETUFDDQYAABE-UHFFFAOYSA-N	-1	2	209.249	0.917	50	0		BCAALM
O=C([O-])c1cc(Nc2nncc(=O)[nH]2)ccc1O	ZINC000073647932	384260022	/nfs/dbraw/zinc/26/00/22/384260022.db2.gz	SQZJESGYHBDZBZ-UHFFFAOYSA-N	-1	2	248.198	0.725	50	0		BCAALM
COCCOc1ccccc1[P@@](=O)([O-])O	ZINC000009547412	174369982	/nfs/dbraw/zinc/36/99/82/174369982.db2.gz	SKGMVPAGMFDGBI-UHFFFAOYSA-N	-1	2	232.172	0.515	50	0		BCAALM
COCCOc1ccccc1[P@](=O)([O-])O	ZINC000009547412	174369983	/nfs/dbraw/zinc/36/99/83/174369983.db2.gz	SKGMVPAGMFDGBI-UHFFFAOYSA-N	-1	2	232.172	0.515	50	0		BCAALM
O=C([O-])c1cccc(-c2nc(=O)o[nH]2)c1	ZINC000082563981	526387039	/nfs/dbraw/zinc/38/70/39/526387039.db2.gz	GONPIMOBFQZFNS-UHFFFAOYSA-N	-1	2	206.157	0.728	50	0		BCAALM
Nc1ccc(Cl)cc1[P@@](=O)([O-])O	ZINC000002391171	342719759	/nfs/dbraw/zinc/71/97/59/342719759.db2.gz	UHCDKLNZOMPPFB-UHFFFAOYSA-N	-1	2	207.553	0.725	50	0		BCAALM
Nc1ccc(Cl)cc1[P@](=O)([O-])O	ZINC000002391171	342719760	/nfs/dbraw/zinc/71/97/60/342719760.db2.gz	UHCDKLNZOMPPFB-UHFFFAOYSA-N	-1	2	207.553	0.725	50	0		BCAALM
Nc1ncnc2[nH]c(C(F)(F)F)nc21	ZINC000001573667	383904874	/nfs/dbraw/zinc/90/48/74/383904874.db2.gz	LMWFSHBVFKCMHW-UHFFFAOYSA-N	-1	2	203.127	0.954	50	0		BCAALM
O=C([O-])C1=NN(Cc2ccccc2)C(=O)C1	ZINC000042411237	384216749	/nfs/dbraw/zinc/21/67/49/384216749.db2.gz	GITPJWYHCMCMOV-UHFFFAOYSA-N	-1	2	218.212	0.860	50	0		BCAALM
CO[C@H]1C(C(=O)[O-])=C(C(=O)O)CC1(C)C	ZINC000045071193	387273584	/nfs/dbraw/zinc/27/35/84/387273584.db2.gz	CXBRFPPQMJTAPC-ZETCQYMHSA-N	-1	2	214.217	0.897	50	0		BCAALM
CSC1=NC(=O)[C@@H](CC(=O)[O-])S1	ZINC000034927043	398017876	/nfs/dbraw/zinc/01/78/76/398017876.db2.gz	CDLKLJAEUQODBU-GSVOUGTGSA-N	-1	2	205.260	0.822	50	0		BCAALM
CC(C)c1cc(C(=O)[O-])nc2ncnn21	ZINC000004520801	167570647	/nfs/dbraw/zinc/57/06/47/167570647.db2.gz	NCBNAZDSHQXLRS-UHFFFAOYSA-N	-1	2	206.205	0.946	50	0		BCAALM
Nc1nc(NCc2nn[n-]n2)c2c([nH+]1)CCCC2	ZINC000095386960	644748863	/nfs/dbraw/zinc/74/88/63/644748863.db2.gz	XSNUVALAPGMNMN-UHFFFAOYSA-N	-1	2	246.278	0.063	50	0		BCAALM
Cc1ccc(-n2nc(C(=O)[O-])c(=O)cc2O)cc1	ZINC000019946616	178347553	/nfs/dbraw/zinc/34/75/53/178347553.db2.gz	MMJGOAVBFGJMFG-UHFFFAOYSA-N	-1	2	246.222	0.945	50	0		BCAALM
CCCc1c(O)nc(SCC(=O)[O-])[nH]c1=O	ZINC000009057262	342807450	/nfs/dbraw/zinc/80/74/50/342807450.db2.gz	KBUQJVWITUTFKU-UHFFFAOYSA-N	-1	2	244.272	0.605	50	0		BCAALM
Cc1cccc(-n2nc(C(=O)[O-])c(=O)cc2O)c1	ZINC000019946630	179001241	/nfs/dbraw/zinc/00/12/41/179001241.db2.gz	QZESRSHRXCXGDY-UHFFFAOYSA-N	-1	2	246.222	0.945	50	0		BCAALM
O=c1nc2[n-]nnn2c(O)c1Cc1ccccc1	ZINC000108876692	368385164	/nfs/dbraw/zinc/38/51/64/368385164.db2.gz	DACJGZUFRZLTOI-UHFFFAOYSA-N	-1	2	243.226	0.109	50	0		BCAALM
Cc1ccccc1-n1nc(C(=O)[O-])c(=O)cc1O	ZINC000019946613	179242422	/nfs/dbraw/zinc/24/24/22/179242422.db2.gz	MOJMOYQHPVIXAA-UHFFFAOYSA-N	-1	2	246.222	0.945	50	0		BCAALM
CCCCS(=O)(=O)Nc1ncc(C(=O)[O-])o1	ZINC000725256468	538058329	/nfs/dbraw/zinc/05/83/29/538058329.db2.gz	NTUOVFXSPVDKFC-UHFFFAOYSA-N	-1	2	248.260	0.915	50	0		BCAALM
O=C([O-])CC[P@@](=O)([O-])C[NH+]1CCOCC1	ZINC000000219327	384270215	/nfs/dbraw/zinc/27/02/15/384270215.db2.gz	WOEMKPIJQHJBGS-UHFFFAOYSA-N	-1	2	237.192	0.021	50	0		BCAALM
O=C([O-])CC[P@](=O)([O-])C[NH+]1CCOCC1	ZINC000000219327	384270225	/nfs/dbraw/zinc/27/02/25/384270225.db2.gz	WOEMKPIJQHJBGS-UHFFFAOYSA-N	-1	2	237.192	0.021	50	0		BCAALM
Cc1nnc(SCC(=O)[O-])[nH]c1=O	ZINC000016887529	384472079	/nfs/dbraw/zinc/47/20/79/384472079.db2.gz	VIUIJRBIRXZVGL-UHFFFAOYSA-N	-1	2	201.207	0.062	50	0		BCAALM
CC(C)[N@@H+](C)CC(=O)NC1=[NH+]CCS1	ZINC000058415026	385001884	/nfs/dbraw/zinc/00/18/84/385001884.db2.gz	PVDSHFVIVXTBRO-UHFFFAOYSA-N	-1	2	215.322	0.546	50	0		BCAALM
Cc1nc2cc[nH]n2c(=O)c1CCC(=O)[O-]	ZINC000040174037	343398073	/nfs/dbraw/zinc/39/80/73/343398073.db2.gz	PBCAZFFYIIIBPF-UHFFFAOYSA-N	-1	2	221.216	0.348	50	0		BCAALM
CCS(=O)(=O)Nc1ncc(C(=O)[O-])s1	ZINC000720013747	537832929	/nfs/dbraw/zinc/83/29/29/537832929.db2.gz	HKSIHHNWWLSFLD-UHFFFAOYSA-N	-1	2	236.274	0.603	50	0		BCAALM
O=C([O-])c1cccc(NC(=O)C=NO)c1	ZINC000254607395	388848404	/nfs/dbraw/zinc/84/84/04/388848404.db2.gz	UEFHWQBEGYESBT-UHFFFAOYSA-N	-1	2	208.173	0.783	50	0		BCAALM
CSc1n[nH]c(N)c1S(=O)(=O)C(C)C	ZINC000000125231	342675668	/nfs/dbraw/zinc/67/56/68/342675668.db2.gz	SEBINQGTUBTFET-UHFFFAOYSA-N	-1	2	235.334	0.896	50	0	in-vitro	BCAALM
CCOc1ccccc1[P@@](=O)([O-])O	ZINC000013630057	342869192	/nfs/dbraw/zinc/86/91/92/342869192.db2.gz	WFVRXVRYNFRUHQ-UHFFFAOYSA-N	-1	2	202.146	0.888	50	0		BCAALM
CCOc1ccccc1[P@](=O)([O-])O	ZINC000013630057	342869193	/nfs/dbraw/zinc/86/91/93/342869193.db2.gz	WFVRXVRYNFRUHQ-UHFFFAOYSA-N	-1	2	202.146	0.888	50	0		BCAALM
O=C([O-])c1ccc(CNc2nncc(=O)[nH]2)cc1	ZINC000007996455	356459822	/nfs/dbraw/zinc/45/98/22/356459822.db2.gz	VCPMLLUUQRKZPW-UHFFFAOYSA-N	-1	2	246.226	0.475	50	0		BCAALM
O=C([O-])Cc1cc(=O)n(-c2ccccn2)[nH]1	ZINC000003888776	384033946	/nfs/dbraw/zinc/03/39/46/384033946.db2.gz	YYYXDFWTQGTNRS-UHFFFAOYSA-N	-1	2	219.200	0.188	50	0		BCAALM
O=C([O-])Cn1c[nH+]c2ccc(C(=O)[O-])cc21	ZINC000012375068	384316712	/nfs/dbraw/zinc/31/67/12/384316712.db2.gz	AVVQLOBKRGNNRN-UHFFFAOYSA-N	-1	2	220.184	0.819	50	0		BCAALM
CCCS(=O)(=O)Nc1ncc(C(=O)[O-])o1	ZINC000725256461	582771562	/nfs/dbraw/zinc/77/15/62/582771562.db2.gz	NOAWOYZTRSUTMI-UHFFFAOYSA-N	-1	2	234.233	0.525	50	0		BCAALM
O=C([O-])CCCCCCC1=C(O)[C@@H](O)CC1=O	ZINC000101370103	398319246	/nfs/dbraw/zinc/31/92/46/398319246.db2.gz	ASUMHSZQZHAHEA-WPRPVWTQSA-N	-1	2	242.271	0.931	50	0		BCAALM
O=C([O-])C1=NNC(=O)[C@@H]1c1ccccc1	ZINC000100124661	384619052	/nfs/dbraw/zinc/61/90/52/384619052.db2.gz	GPBFDQSZZHMUQB-SSDOTTSWSA-N	-1	2	204.185	0.341	50	0		BCAALM
O=C([O-])Cn1cc(C(=O)O)c(=O)c2ccccc21	ZINC000026507566	384877597	/nfs/dbraw/zinc/87/75/97/384877597.db2.gz	HCHBTHLTTQIDOQ-UHFFFAOYSA-N	-1	2	247.206	0.784	50	0		BCAALM
O=C([O-])C[NH+](CC(=O)[O-])Cc1cccnc1	ZINC000057516431	384951283	/nfs/dbraw/zinc/95/12/83/384951283.db2.gz	QCUQDTRYJUMRMG-UHFFFAOYSA-N	-1	2	224.216	0.053	50	0		BCAALM
O=C([O-])CNC(=O)C(F)(F)C(F)(F)Cl	ZINC000002765349	385512701	/nfs/dbraw/zinc/51/27/01/385512701.db2.gz	CQBOHCJFEDAJRM-UHFFFAOYSA-N	-1	2	237.536	0.654	50	0		BCAALM
CC(C)c1cc(C(=O)[O-])nc2nncn21	ZINC000023118924	167569927	/nfs/dbraw/zinc/56/99/27/167569927.db2.gz	NQORKLAOQPASNL-UHFFFAOYSA-N	-1	2	206.205	0.946	50	0		BCAALM
Cc1nc(NS(C)(=O)=O)sc1C(=O)[O-]	ZINC000004384205	180021617	/nfs/dbraw/zinc/02/16/17/180021617.db2.gz	RDSIODJZQJVHRQ-UHFFFAOYSA-N	-1	2	236.274	0.521	50	0		BCAALM
Cc1nn2c(nc(C)c(CCC(=O)[O-])c2=O)[nH]1	ZINC000006645724	180059604	/nfs/dbraw/zinc/05/96/04/180059604.db2.gz	LMFJKBXQEDYGOZ-UHFFFAOYSA-N	-1	2	236.231	0.052	50	0		BCAALM
O=C([O-])C1=NNC(=O)[C@H]1c1ccccc1	ZINC000100124663	182428183	/nfs/dbraw/zinc/42/81/83/182428183.db2.gz	GPBFDQSZZHMUQB-ZETCQYMHSA-N	-1	2	204.185	0.341	50	0		BCAALM
CC(C)c1cc(C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000072323949	384207425	/nfs/dbraw/zinc/20/74/25/384207425.db2.gz	UWJWLUGHNCATSM-UHFFFAOYSA-N	-1	2	249.226	0.433	50	0		BCAALM
O=C([O-])CCCCc1c(=O)[nH]c(=O)[nH]c1O	ZINC000019624936	385274462	/nfs/dbraw/zinc/27/44/62/385274462.db2.gz	OWUMSRYPCPALIL-UHFFFAOYSA-N	-1	2	228.204	0.391	50	0		BCAALM
O=C([O-])c1cc2[nH]c[nH+]c2cc1C(=O)[O-]	ZINC000002598105	342725948	/nfs/dbraw/zinc/72/59/48/342725948.db2.gz	PIPQOFRJDBZPFR-UHFFFAOYSA-N	-1	2	206.157	0.959	50	0		BCAALM
C[C@H](C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O	ZINC000006381863	342777369	/nfs/dbraw/zinc/77/73/69/342777369.db2.gz	QMVNDZXSEVJREA-REOHCLBHSA-N	-1	2	216.218	0.365	50	0		BCAALM
CC(C)S(=O)(=O)Nc1ncc(C(=O)[O-])o1	ZINC000725256307	538056953	/nfs/dbraw/zinc/05/69/53/538056953.db2.gz	CNMJTEFZAKFQPE-UHFFFAOYSA-N	-1	2	234.233	0.523	50	0		BCAALM
O=c1cc(NCCCn2cc[nH+]c2)nc[nH]1	ZINC000096318739	384453260	/nfs/dbraw/zinc/45/32/60/384453260.db2.gz	WMTXIXPCFUXQLC-UHFFFAOYSA-N	-1	2	219.248	0.469	50	0		BCAALM
CSC1=NC(=O)[C@H](CC(=O)[O-])S1	ZINC000034927042	398017626	/nfs/dbraw/zinc/01/76/26/398017626.db2.gz	CDLKLJAEUQODBU-VKHMYHEASA-N	-1	2	205.260	0.822	50	0		BCAALM
Cc1nn2c(nc(C)c(CCC(=O)[O-])c2=O)[nH]1	ZINC000019577127	180113881	/nfs/dbraw/zinc/11/38/81/180113881.db2.gz	RMEQQPGKDISYGS-UHFFFAOYSA-N	-1	2	236.231	0.464	50	0		BCAALM
Cc1ncc(CO[P@@](=O)([O-])O)c(C=O)c1O	ZINC000001532514	180160367	/nfs/dbraw/zinc/16/03/67/180160367.db2.gz	NGVDGCNFYWLIFO-UHFFFAOYSA-N	-1	2	247.143	0.517	50	0	endogenous,world	BCAALM
Cc1ncc(CO[P@](=O)([O-])O)c(C=O)c1O	ZINC000001532514	180160370	/nfs/dbraw/zinc/16/03/70/180160370.db2.gz	NGVDGCNFYWLIFO-UHFFFAOYSA-N	-1	2	247.143	0.517	50	0	endogenous,world	BCAALM
CO[C@@H]1C(C(=O)[O-])=C(C(=O)O)CC1(C)C	ZINC000045071194	356372512	/nfs/dbraw/zinc/37/25/12/356372512.db2.gz	CXBRFPPQMJTAPC-SSDOTTSWSA-N	-1	2	214.217	0.897	50	0		BCAALM
CCCc1[nH+]c(C(=O)[O-])c(C(=O)[O-])n1C	ZINC000095919620	384408753	/nfs/dbraw/zinc/40/87/53/384408753.db2.gz	SOPOUOBOMXUMEW-UHFFFAOYSA-N	-1	2	212.205	0.769	50	0		BCAALM
O=C([O-])Cc1nn2c(nc3c(c2=O)CCCC3)[nH]1	ZINC000019094005	384509594	/nfs/dbraw/zinc/50/95/94/384509594.db2.gz	RYOJLOODBMTBPX-UHFFFAOYSA-N	-1	2	248.242	0.336	50	0		BCAALM
O=C([O-])CCc1cn(CCC(=O)[O-])c[nH+]1	ZINC000020057349	384571335	/nfs/dbraw/zinc/57/13/35/384571335.db2.gz	ZUWAYVXLWQLDRT-UHFFFAOYSA-N	-1	2	212.205	0.375	50	0		BCAALM
C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ncccc1O	ZINC000071916780	411835506	/nfs/dbraw/zinc/83/55/06/411835506.db2.gz	UPZOBOGZEGCHSN-SECBINFHSA-N	-1	2	235.287	1.210	50	0		BCAALM
O=C([O-])c1ccc(N2CCC[C@@H]2C(=O)[O-])[nH+]c1	ZINC000534588169	323154249	/nfs/dbraw/zinc/15/42/49/323154249.db2.gz	HLRDYKFHSIMKDV-MRVPVSSYSA-N	-1	2	236.227	0.833	50	0		BCAALM
O=C([O-])c1nn(-c2ccccc2)c(O)cc1=O	ZINC000019946609	342963920	/nfs/dbraw/zinc/96/39/20/342963920.db2.gz	MIJLFJUERDLGKF-UHFFFAOYSA-N	-1	2	232.195	0.636	50	0		BCAALM
O=C([O-])c1cccc2c1NC(=O)/C2=N\O	ZINC000108525431	343275430	/nfs/dbraw/zinc/27/54/30/343275430.db2.gz	LABFOEANYCTWFV-UHFFFAOYSA-N	-1	2	206.157	0.515	50	0		BCAALM
O=C([O-])C1(C(=O)O)CC2(C1)CCOCC2	ZINC000238690924	537822386	/nfs/dbraw/zinc/82/23/86/537822386.db2.gz	GCJNIDAPJWNQCP-UHFFFAOYSA-N	-1	2	214.217	0.733	50	0		BCAALM
Cc1nc2cc[nH]n2c(=O)c1CCC(=O)[O-]	ZINC000106782804	180086975	/nfs/dbraw/zinc/08/69/75/180086975.db2.gz	PIITUMRAQPNEPN-UHFFFAOYSA-N	-1	2	221.216	0.348	50	0		BCAALM
O=C([O-])CNc1cccc([NH2+]CC(=O)[O-])c1	ZINC000003845248	182468779	/nfs/dbraw/zinc/46/87/79/182468779.db2.gz	BBKYXHDUYXDDMX-UHFFFAOYSA-N	-1	2	224.216	0.680	50	0		BCAALM
CCOC(=O)Nc1snnc1C(=O)[O-]	ZINC000091695811	170244595	/nfs/dbraw/zinc/24/45/95/170244595.db2.gz	HGZIIOPOFXICLB-UHFFFAOYSA-N	-1	2	217.206	0.805	50	0		BCAALM
CS(=O)(=O)Nc1ncc(C(=O)[O-])s1	ZINC000146922163	583051035	/nfs/dbraw/zinc/05/10/35/583051035.db2.gz	GUPKFAAOHDTJRK-UHFFFAOYSA-N	-1	2	222.247	0.213	50	0		BCAALM
O=C([O-])CCCCCCC1=C(O)[C@@H](O)CC1=O	ZINC000101370101	398319174	/nfs/dbraw/zinc/31/91/74/398319174.db2.gz	ASUMHSZQZHAHEA-SCZZXKLOSA-N	-1	2	242.271	0.931	50	0		BCAALM
O=C([O-])c1c[nH]c(=O)c(Br)c1O	ZINC000040447927	343403504	/nfs/dbraw/zinc/40/35/04/343403504.db2.gz	FXQJLZRIESOXFV-UHFFFAOYSA-N	-1	2	234.005	0.954	50	0		BCAALM
CCCC[N@H+](CCC(=O)[O-])CP(=O)([O-])O	ZINC000003115745	384676552	/nfs/dbraw/zinc/67/65/52/384676552.db2.gz	AFBICPKJUFIBLU-UHFFFAOYSA-N	-1	2	239.208	0.698	50	0		BCAALM
CCCC[N@@H+](CCC(=O)[O-])CP(=O)([O-])O	ZINC000003115745	384676560	/nfs/dbraw/zinc/67/65/60/384676560.db2.gz	AFBICPKJUFIBLU-UHFFFAOYSA-N	-1	2	239.208	0.698	50	0		BCAALM
CCCC[NH+](CCC(=O)[O-])C[P@@](=O)([O-])O	ZINC000003115745	384676565	/nfs/dbraw/zinc/67/65/65/384676565.db2.gz	AFBICPKJUFIBLU-UHFFFAOYSA-N	-1	2	239.208	0.698	50	0		BCAALM
CCCC[NH+](CCC(=O)[O-])C[P@](=O)([O-])O	ZINC000003115745	384676570	/nfs/dbraw/zinc/67/65/70/384676570.db2.gz	AFBICPKJUFIBLU-UHFFFAOYSA-N	-1	2	239.208	0.698	50	0		BCAALM
O=C([O-])Cc1ccc(Nc2nncc(=O)[nH]2)cc1	ZINC000011991551	384766366	/nfs/dbraw/zinc/76/63/66/384766366.db2.gz	MHUWFBITRFEOQS-UHFFFAOYSA-N	-1	2	246.226	0.536	50	0		BCAALM
O=C([O-])C[NH2+]c1ccc(O)c(S(=O)(=O)[O-])c1	ZINC000004532224	384989265	/nfs/dbraw/zinc/98/92/65/384989265.db2.gz	XGCATGAPZLONAK-UHFFFAOYSA-N	-1	2	247.228	0.135	50	0		BCAALM
CS(=O)(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000004384203	397924364	/nfs/dbraw/zinc/92/43/64/397924364.db2.gz	FOYGOEJLNFZKGH-UHFFFAOYSA-N	-1	2	236.274	0.142	50	0		BCAALM
COc1cccc(-c2cc(=O)n(CC(=O)[O-])[nH]2)c1	ZINC000067172454	175233594	/nfs/dbraw/zinc/23/35/94/175233594.db2.gz	MRKYJDCMRQITPF-UHFFFAOYSA-N	-1	2	248.238	0.937	50	0		BCAALM
Cc1nc2[nH]c(CC(=O)[O-])nn2c(=O)c1Cl	ZINC000004911660	177517190	/nfs/dbraw/zinc/51/71/90/177517190.db2.gz	QMZGDRDIXJTJCK-UHFFFAOYSA-N	-1	2	242.622	0.007	50	0		BCAALM