smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)N1CCN(S(=O)(=O)c2sc(C(=O)[O-])c(C)c2C(=O)[O-])CC1	ZINC000014118739	530136693	/nfs/dbraw/zinc/13/66/93/530136693.db2.gz	MXPCBPLKKBXDEW-UHFFFAOYSA-N	-2	0	390.439	0.696	50	0		GCAARL
COC(=O)c1sc(S(=O)(=O)[N-]CCCC(=O)[O-])c(C(=O)OC)c1C	ZINC000001795965	530945235	/nfs/dbraw/zinc/94/52/35/530945235.db2.gz	ZHOILYMEWCDLPD-UHFFFAOYSA-N	-2	0	379.412	0.773	50	0		GCAARL
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000018190312	570808140	/nfs/dbraw/zinc/80/81/40/570808140.db2.gz	CSFFTSRVLXCIIG-GHMZBOCLSA-N	-2	0	390.314	0.409	50	0		GCAARL
Cn1cc([C@@H](C(=O)[O-])N2CCN(S(C)(=O)=O)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354454	205014176	/nfs/dbraw/zinc/01/41/76/205014176.db2.gz	KATMAZZWJMSEON-HNNXBMFYSA-N	-2	0	395.437	0.579	50	0		GCAARL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-]	ZINC000036356939	205014278	/nfs/dbraw/zinc/01/42/78/205014278.db2.gz	KIXHHKSQNCXERV-HNNXBMFYSA-N	-2	0	395.437	0.579	50	0		GCAARL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C=O)CC1)cn2CC(=O)[O-]	ZINC000036365754	205015224	/nfs/dbraw/zinc/01/52/24/205015224.db2.gz	FOJQTDAWKWJSFZ-KRWDZBQOSA-N	-2	0	375.381	0.634	50	0		GCAARL
CC(C)(C(=O)[O-])c1cnc(N2CC[C@@H](CC(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161969	136184700	/nfs/dbraw/zinc/18/47/00/136184700.db2.gz	MZSAXBHISPRTQG-LBPRGKRZSA-N	-2	0	378.429	0.976	50	0		GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000005765543	206217158	/nfs/dbraw/zinc/21/71/58/206217158.db2.gz	OHKOGUYZJXTSFX-FNOROQBZSA-N	-2	0	384.435	0.548	50	0	in-vitro	GCAARL
CC(C)(C(=O)[O-])c1cnc(N2CCC(C(=O)[O-])CC2)nc1N1CCOCC1	ZINC000096150020	136184477	/nfs/dbraw/zinc/18/44/77/136184477.db2.gz	IWWXOGRKAFSKLD-UHFFFAOYSA-N	-2	0	378.429	0.976	50	0		GCAARL
Cn1cc([C@@H](C(=O)[O-])N2CCN(S(C)(=O)=O)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359986	570642551	/nfs/dbraw/zinc/64/25/51/570642551.db2.gz	HCROCZODVXRRHU-HNNXBMFYSA-N	-2	0	395.437	0.579	50	0		GCAARL
COc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C(=O)[O-])cc1OC	ZINC000044667895	570976444	/nfs/dbraw/zinc/97/64/44/570976444.db2.gz	NLSJOEVWLWQENC-UHFFFAOYSA-N	-2	0	383.382	0.640	50	0		GCAARL
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(CC(=O)[O-])CC(C)C	ZINC000299751546	962939344	/nfs/dbraw/zinc/93/93/44/962939344.db2.gz	QXRQAUMANMKJQN-UHFFFAOYSA-N	-2	0	380.445	0.829	50	0		GCAARL
Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC000001683644	530114702	/nfs/dbraw/zinc/11/47/02/530114702.db2.gz	GFPQSWFFPRQEHH-UHFFFAOYSA-N	-3	0	383.381	0.162	50	0		GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000003871880	209456654	/nfs/dbraw/zinc/45/66/54/209456654.db2.gz	FPPNZSSZRUTDAP-NJBDSQKTSA-N	-2	0	378.406	0.487	50	0	world	GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000003978033	204022051	/nfs/dbraw/zinc/02/20/51/204022051.db2.gz	FPPNZSSZRUTDAP-BBGACYKPSA-N	-2	0	378.406	0.487	50	0	world	GCAARL
CCn1cc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c(C(N)=O)n1	ZINC000241911232	206129205	/nfs/dbraw/zinc/12/92/05/206129205.db2.gz	UATSKWLOHWNDBS-UHFFFAOYSA-N	-2	0	382.398	0.438	50	0		GCAARL
Cc1cccc(Nc2nc(N)nc(CN3C[C@@]4(C(=O)[O-])C[C@@]4(C(=O)[O-])C3)n2)c1	ZINC001772700311	1187630409	/nfs/dbraw/zinc/63/04/09/1187630409.db2.gz	CEPLIWYIRYUIRH-HDICACEKSA-N	-2	0	384.396	0.867	50	0		GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000011616718	204348059	/nfs/dbraw/zinc/34/80/59/204348059.db2.gz	FPPNZSSZRUTDAP-ICUOPCATSA-N	-2	0	378.406	0.487	50	0		GCAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)[O-]	ZINC000002109729	570949784	/nfs/dbraw/zinc/94/97/84/570949784.db2.gz	SSZVGMXOKPZNCV-UHFFFAOYSA-N	-2	0	396.783	0.710	50	0	biogenic	GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3cccs3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000015449281	530139425	/nfs/dbraw/zinc/13/94/25/530139425.db2.gz	AKTWFEXJHLCYFM-KZFFXBSXSA-N	-2	0	384.435	0.548	50	0	in-man	GCAARL
CC(C)(C(=O)[O-])c1cnc(N2CCC[C@H](C(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161544	136184709	/nfs/dbraw/zinc/18/47/09/136184709.db2.gz	SGNLQGGKRVDUNB-LBPRGKRZSA-N	-2	0	378.429	0.976	50	0		GCAARL
CC(C)(C(=O)[O-])c1cnc(N2CCC[C@@H](C(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161546	136184749	/nfs/dbraw/zinc/18/47/49/136184749.db2.gz	SGNLQGGKRVDUNB-GFCCVEGCSA-N	-2	0	378.429	0.976	50	0		GCAARL
CC(N[C@H](Cc1c[nH]cn1)C(=O)[O-])=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000025183200	518476478	/nfs/dbraw/zinc/47/64/78/518476478.db2.gz	GZZVJYCLCVAPCV-XDPMZMSMSA-N	-2	0	397.391	0.860	50	0		GCAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)cc(C(N)=O)c1	ZINC000034878666	570342704	/nfs/dbraw/zinc/34/27/04/570342704.db2.gz	WDZXJFMOOIDHQR-UHFFFAOYSA-N	-2	0	393.377	0.392	50	0		GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000003871881	570885119	/nfs/dbraw/zinc/88/51/19/570885119.db2.gz	FPPNZSSZRUTDAP-ZHSDAYTOSA-N	-2	0	378.406	0.487	50	0		GCAARL
O=C([O-])CN1C(=O)/C(=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000001811549	531157683	/nfs/dbraw/zinc/15/76/83/531157683.db2.gz	RQSLTVUOPFHVJT-VAWYXSNFSA-N	-2	0	378.387	0.774	50	0		GCAARL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(C=O)CC1)cn2CC(=O)[O-]	ZINC000036365755	205015024	/nfs/dbraw/zinc/01/50/24/205015024.db2.gz	FOJQTDAWKWJSFZ-QGZVFWFLSA-N	-2	0	375.381	0.634	50	0		GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000004097358	206215256	/nfs/dbraw/zinc/21/52/56/206215256.db2.gz	OHKOGUYZJXTSFX-KIKITERTSA-N	-2	0	384.435	0.548	50	0	world	GCAARL
O=C([O-])CCCNC(=O)COc1ccccc1OCC(=O)NCCCC(=O)[O-]	ZINC000004173580	570974752	/nfs/dbraw/zinc/97/47/52/570974752.db2.gz	GORNYVQXMNECBC-UHFFFAOYSA-N	-2	0	396.396	0.406	50	0		GCAARL
CC[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-][C@H](CC)CO	ZINC000003466569	530430739	/nfs/dbraw/zinc/43/07/39/530430739.db2.gz	UNJMRZHCCOQXJU-HTQZYQBOSA-N	-2	0	382.301	0.667	50	0		GCAARL
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000018190313	207093306	/nfs/dbraw/zinc/09/33/06/207093306.db2.gz	CSFFTSRVLXCIIG-MNOVXSKESA-N	-2	0	390.314	0.409	50	0		GCAARL
O=C([O-])CCOCCOCCOCCOCCOCCOCCC(=O)[O-]	ZINC000079016464	208068882	/nfs/dbraw/zinc/06/88/82/208068882.db2.gz	YFBGEYNLLRKUTP-UHFFFAOYSA-N	-2	0	382.406	0.035	50	0		GCAARL
Cc1cc2ncc(C(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)c(=O)n2[n-]1	ZINC000102739601	570256639	/nfs/dbraw/zinc/25/66/39/570256639.db2.gz	DIQPKOQZYWYSCJ-UHFFFAOYSA-N	-2	0	384.396	0.591	50	0		GCAARL
Cn1c(=O)n(C)c(-c2c([O-])n(C)c(=O)n(C)c2=O)c1-c1ccc(C(=O)[O-])cc1	ZINC000604419770	570363659	/nfs/dbraw/zinc/36/36/59/570363659.db2.gz	YSYLLCSPNDZVOV-UHFFFAOYSA-N	-2	0	386.364	0.223	50	0		GCAARL
O=C([O-])c1n[nH]c(NC(Nc2nc(C(=O)[O-])n[nH]2)c2ccc3c(c2)OCO3)n1	ZINC000096602282	570774780	/nfs/dbraw/zinc/77/47/80/570774780.db2.gz	BXBVBKFRMBCICM-UHFFFAOYSA-N	-2	0	388.300	0.271	50	0		GCAARL
COc1cc2c(cc1[N-]S(C)(=O)=O)c(C(=O)[O-])c(C)n2S(C)(=O)=O	ZINC000006142930	530121537	/nfs/dbraw/zinc/12/15/37/530121537.db2.gz	ZWSSUMMBJMJFQJ-UHFFFAOYSA-N	-2	0	376.412	0.836	50	0		GCAARL
Cn1nnc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)n1	ZINC000127108371	530289951	/nfs/dbraw/zinc/28/99/51/530289951.db2.gz	ASYKLROCSLXJJF-UHFFFAOYSA-N	-2	0	380.155	0.611	50	0		GCAARL
O=C([O-])c1ccccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-]	ZINC000095374849	208170637	/nfs/dbraw/zinc/17/06/37/208170637.db2.gz	WIMXVBFWINFVIA-NSHDSACASA-N	-2	0	382.394	0.129	50	0		GCAARL
COc1ccc2c(C)c(CC(=O)N(CC(=O)[O-])CC(=O)[O-])c(=O)oc2c1C	ZINC000002098866	570941705	/nfs/dbraw/zinc/94/17/05/570941705.db2.gz	SRJGBCFAUYXUDU-UHFFFAOYSA-N	-2	0	377.349	0.959	50	0	biogenic	GCAARL
Cc1c(Br)cc(S(=O)(=O)[N-]c2nnn(C)n2)cc1C(=O)[O-]	ZINC000127105394	530289880	/nfs/dbraw/zinc/28/98/80/530289880.db2.gz	PZGZJUZATGYUAB-UHFFFAOYSA-N	-2	0	376.192	0.780	50	0		GCAARL
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12	ZINC000001673396	212254359	/nfs/dbraw/zinc/25/43/59/212254359.db2.gz	UBDHSURDYAETAL-UHFFFAOYSA-N	-3	0	383.381	0.162	50	0	in-vitro	GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000003831541	212078736	/nfs/dbraw/zinc/07/87/36/212078736.db2.gz	OHKOGUYZJXTSFX-MFYTUXHUSA-N	-2	0	384.435	0.548	50	0	in-vitro	GCAARL
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-]	ZINC000001669724	206387900	/nfs/dbraw/zinc/38/79/00/206387900.db2.gz	KMXMLAGYNHELHA-UHFFFAOYSA-N	-3	0	384.365	0.286	50	0		GCAARL
CN1C(=O)c2cc(S(=O)(=O)[O-])cc3c(N)c(S(=O)(=O)[O-])cc(c32)C1=O	ZINC000022023349	207245370	/nfs/dbraw/zinc/24/53/70/207245370.db2.gz	RTXPWVWJBBIFPD-UHFFFAOYSA-N	-2	0	386.363	0.141	50	0		GCAARL
CC(C)(C(=O)[O-])c1cnc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc1N1CCOCC1	ZINC000102003378	136189832	/nfs/dbraw/zinc/18/98/32/136189832.db2.gz	DGMFWNNPTKDOEW-PJXYFTJBSA-N	-2	0	376.413	0.442	50	0		GCAARL
COc1cc(OC)c(NC(=O)Cn2nnc(C(=O)[O-])c2C(=O)[O-])cc1Cl	ZINC000002687670	1199933594	/nfs/dbraw/zinc/93/35/94/1199933594.db2.gz	OJKSMDIFZAXMRR-UHFFFAOYSA-N	-2	0	384.732	0.984	50	0		GCAARL
CC[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-][C@@H](CC)CO	ZINC000003466558	530430457	/nfs/dbraw/zinc/43/04/57/530430457.db2.gz	UNJMRZHCCOQXJU-YUMQZZPRSA-N	-2	0	382.301	0.667	50	0		GCAARL
Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12	ZINC000001667552	206388497	/nfs/dbraw/zinc/38/84/97/206388497.db2.gz	RQVVDWMOCSOAJS-UHFFFAOYSA-N	-3	0	383.381	0.162	50	0		GCAARL
Cc1ccc(-n2nc(C(=O)N3CCc4[nH]cnc4[C@H]3C(=O)[O-])c([O-])cc2=O)cc1	ZINC000072476052	208029833	/nfs/dbraw/zinc/02/98/33/208029833.db2.gz	XGJWUPPNBYFETK-KRWDZBQOSA-N	-2	0	395.375	0.794	50	0		GCAARL
Cc1cc(=NC(=O)Cc2ccccc2C(=O)[O-])n([C@H]2CCS(=O)(=O)C2)[nH]1	ZINC000334159171	209095246	/nfs/dbraw/zinc/09/52/46/209095246.db2.gz	KTLSZVHVTNAHSN-ZDUSSCGKSA-N	-2	0	377.422	0.852	50	0		GCAARL
CC(C)(C(=O)[O-])c1cnc(N2CC[C@H](CC(=O)[O-])C2)nc1N1CCOCC1	ZINC000096161968	136184678	/nfs/dbraw/zinc/18/46/78/136184678.db2.gz	MZSAXBHISPRTQG-GFCCVEGCSA-N	-2	0	378.429	0.976	50	0		GCAARL
Cc1ccc(-n2nc(C(=O)N3CCc4[nH]cnc4[C@@H]3C(=O)[O-])c([O-])cc2=O)cc1	ZINC000072476051	222264717	/nfs/dbraw/zinc/26/47/17/222264717.db2.gz	XGJWUPPNBYFETK-QGZVFWFLSA-N	-2	0	395.375	0.794	50	0		GCAARL
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000018190319	207093976	/nfs/dbraw/zinc/09/39/76/207093976.db2.gz	CSFFTSRVLXCIIG-QWRGUYRKSA-N	-2	0	390.314	0.409	50	0		GCAARL
O=C([O-])c1ccccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-]	ZINC000095374850	208169769	/nfs/dbraw/zinc/16/97/69/208169769.db2.gz	WIMXVBFWINFVIA-LLVKDONJSA-N	-2	0	382.394	0.129	50	0		GCAARL
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F	ZINC000018190316	221389029	/nfs/dbraw/zinc/38/90/29/221389029.db2.gz	CSFFTSRVLXCIIG-WDEREUQCSA-N	-2	0	390.314	0.409	50	0		GCAARL
CC(N[C@@H](Cc1c[nH]cn1)C(=O)[O-])=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000025183191	518476303	/nfs/dbraw/zinc/47/63/03/518476303.db2.gz	GZZVJYCLCVAPCV-AYYGCFCKSA-N	-2	0	397.391	0.860	50	0		GCAARL
Cn1cc([C@H](C(=O)[O-])N2CCN(S(C)(=O)=O)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354456	570635535	/nfs/dbraw/zinc/63/55/35/570635535.db2.gz	KATMAZZWJMSEON-OAHLLOKOSA-N	-2	0	395.437	0.579	50	0		GCAARL
Cn1cc([C@H](C(=O)[O-])N2CCN(S(C)(=O)=O)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359987	570642738	/nfs/dbraw/zinc/64/27/38/570642738.db2.gz	HCROCZODVXRRHU-OAHLLOKOSA-N	-2	0	395.437	0.579	50	0		GCAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-]	ZINC000002113856	570950846	/nfs/dbraw/zinc/95/08/46/570950846.db2.gz	PGCZVTQDTCKHKJ-UHFFFAOYSA-N	-2	0	382.756	0.320	50	0	biogenic	GCAARL
Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000002243085	530115566	/nfs/dbraw/zinc/11/55/66/530115566.db2.gz	HKTWHHAJDJCUPC-UHFFFAOYSA-N	-3	0	383.381	0.162	50	0		GCAARL
O=S(=O)([O-])c1cc2cc(S(=O)(=O)[O-])c(O)cc2c(S(=O)(=O)[O-])c1	ZINC000002243083	530115812	/nfs/dbraw/zinc/11/58/12/530115812.db2.gz	ANYNWDCUWOSEFH-UHFFFAOYSA-N	-3	0	384.365	0.286	50	0		GCAARL
O=C([O-])COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1I	ZINC000000658601	212171111	/nfs/dbraw/zinc/17/11/11/212171111.db2.gz	ALXJLCAFBGOZNO-XBXARRHUSA-N	-2	0	388.117	0.935	50	0		GCAARL
O=C([O-])CCc1cc2n(n1)CCN(CC(=O)NCc1ccc(C(=O)[O-])o1)C2	ZINC000072426140	208021492	/nfs/dbraw/zinc/02/14/92/208021492.db2.gz	GDYFXAOUIYRLGO-UHFFFAOYSA-N	-2	0	376.369	0.324	50	0		GCAARL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-]	ZINC000036356940	207524232	/nfs/dbraw/zinc/52/42/32/207524232.db2.gz	KIXHHKSQNCXERV-OAHLLOKOSA-N	-2	0	395.437	0.579	50	0		GCAARL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000003831540	220667394	/nfs/dbraw/zinc/66/73/94/220667394.db2.gz	OHKOGUYZJXTSFX-KZFFXBSXSA-N	-2	0	384.435	0.548	50	0	world	GCAARL
COc1ccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)[n-]2)cc1OC	ZINC000012347391	221183721	/nfs/dbraw/zinc/18/37/21/221183721.db2.gz	KLIOEEHIOUMFTO-UHFFFAOYSA-N	-2	0	394.409	0.930	50	0		GCAARL
C[N@@H+]1CCN(Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)C[C@H]1C(=O)[O-]	ZINC000248030861	570440879	/nfs/dbraw/zinc/44/08/79/570440879.db2.gz	LARDJTJURATDCS-HNNXBMFYSA-N	-2	0	391.453	0.478	50	0		GCAARL
O=P([O-])([O-])OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	ZINC000003609266	570891781	/nfs/dbraw/zinc/89/17/81/570891781.db2.gz	GHJWNRRCRIGGIO-UHFFFAOYSA-N	-2	0	386.255	0.853	50	0	world	GCAARL
O=C([O-])C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-]	ZINC000002124599	570958098	/nfs/dbraw/zinc/95/80/98/570958098.db2.gz	SAGDIVIDRJDDCK-ZDUSSCGKSA-N	-2	0	375.333	0.705	50	0	biogenic	GCAARL