smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc2c(c1)C(=N[O-])c1cc(S(N)(=O)=O)ccc1-2	ZINC000003109784	206159765	/nfs/dbraw/zinc/15/97/65/206159765.db2.gz	AAUWIESHYVTZBJ-UHFFFAOYSA-N	-1	0	353.381	0.188	50	30		FCEARM
CCCCNC(=O)N=S(=O)([O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000040116194	487812560	/nfs/dbraw/zinc/81/25/60/487812560.db2.gz	UBYWKENEVIYKQK-UHFFFAOYSA-N	-1	0	363.461	0.929	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cnc(C4CC4)nc3)C[C@H]2C1=O	ZINC000072433156	488380889	/nfs/dbraw/zinc/38/08/89/488380889.db2.gz	VLPPYOZQXKXIQA-SCLBCKFNSA-N	-1	0	356.382	0.525	50	30		FCEARM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC2(C[C@H](C(=O)[O-])[N@H+](C)C2)CC1	ZINC000091845718	488470916	/nfs/dbraw/zinc/47/09/16/488470916.db2.gz	WZXOWBYBJLFDCU-CQSZACIVSA-N	-1	0	358.398	0.566	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CC[C@]2(C1)CCCN(CCO)C2=O	ZINC000091725161	205689826	/nfs/dbraw/zinc/68/98/26/205689826.db2.gz	HEDHOHSUACRKSS-SFHVURJKSA-N	-1	0	358.398	0.414	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC2(C[C@H](C(=O)[O-])[N@H+](C)C2)CC1	ZINC000091908083	488471779	/nfs/dbraw/zinc/47/17/79/488471779.db2.gz	OMAVTXOAHSPAQY-CQSZACIVSA-N	-1	0	358.398	0.566	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@H+](C)C2)CC1	ZINC000091908086	488471837	/nfs/dbraw/zinc/47/18/37/488471837.db2.gz	OMAVTXOAHSPAQY-AWEZNQCLSA-N	-1	0	358.398	0.566	50	30		FCEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCCC(=O)N2)cc1	ZINC000077101324	205036788	/nfs/dbraw/zinc/03/67/88/205036788.db2.gz	DVRNZTNLNOGOKI-LBPRGKRZSA-N	-1	0	371.440	0.912	50	30		FCEARM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@H+](C)C2)CC1	ZINC000091845721	488470603	/nfs/dbraw/zinc/47/06/03/488470603.db2.gz	WZXOWBYBJLFDCU-AWEZNQCLSA-N	-1	0	358.398	0.566	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1	ZINC000095518941	488486171	/nfs/dbraw/zinc/48/61/71/488486171.db2.gz	QHLOHQGQDNNYOG-LBPRGKRZSA-N	-1	0	368.397	0.669	50	30		FCEARM
Cn1c2ccc(/C=N/N=C3\NC(=O)[C@@H](CC(=O)[O-])S3)cc2n(C)c1=O	ZINC000005648798	204220145	/nfs/dbraw/zinc/22/01/45/204220145.db2.gz	JDKJKELRAGWSJZ-PFJSLNBISA-N	-1	0	361.383	0.273	50	30		FCEARM
CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc(C#N)c(=O)[n-]c2C)C1	ZINC000218949082	206376094	/nfs/dbraw/zinc/37/60/94/206376094.db2.gz	UEEAAHXGQVNABH-KLPPZKSPSA-N	-1	0	356.386	0.335	50	30		FCEARM
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])s1	ZINC000002867351	487470525	/nfs/dbraw/zinc/47/05/25/487470525.db2.gz	BIFRHHQKSGTYHJ-NSHDSACASA-N	-1	0	367.427	0.502	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2C1=O	ZINC000072463111	488381323	/nfs/dbraw/zinc/38/13/23/488381323.db2.gz	MXQHVRZTFJMPRZ-IFXJQAMLSA-N	-1	0	356.378	0.793	50	30		FCEARM
COc1nccc(N2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)c1C#N	ZINC000096140347	488489425	/nfs/dbraw/zinc/48/94/25/488489425.db2.gz	HKYZWWQPVGRJDN-KZULUSFZSA-N	-1	0	356.382	0.721	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101231558	488494418	/nfs/dbraw/zinc/49/44/18/488494418.db2.gz	VENHGZUYBNFIJA-NSHDSACASA-N	-1	0	357.326	0.775	50	30		FCEARM
Cc1cc2ncc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(=O)n2[n-]1	ZINC000102854847	488498709	/nfs/dbraw/zinc/49/87/09/488498709.db2.gz	KQQRJROGDLLGPW-UHFFFAOYSA-N	-1	0	363.381	0.560	50	30		FCEARM
NC(=S)C(=NNc1ccc(O)c(C(=O)[O-])c1)C(=O)N1CCOCC1	ZINC000254559041	527107072	/nfs/dbraw/zinc/10/70/72/527107072.db2.gz	USXPZZTYMBOVRN-UHFFFAOYSA-N	-1	0	352.372	0.003	50	30		FCEARM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1	ZINC000007988686	206214753	/nfs/dbraw/zinc/21/47/53/206214753.db2.gz	JLDGYRVKUUNRIL-INIZCTEOSA-N	-1	0	351.428	0.489	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)COc3cccc(C)c3)C[C@H]2C1=O	ZINC000072473959	263424521	/nfs/dbraw/zinc/42/45/21/263424521.db2.gz	RCQJPJFTLZGPTI-HNAYVOBHSA-N	-1	0	358.394	0.931	50	30		FCEARM
COC(=O)[C@@H]1CCCN1S(=O)(=O)N=C([O-])Nc1nc(C)cc(C)n1	ZINC000075273011	488396508	/nfs/dbraw/zinc/39/65/08/488396508.db2.gz	WRXLGHQVPOMLRH-JTQLQIEISA-N	-1	0	357.392	0.302	50	30		FCEARM
Cc1ccc(S(=O)(=O)OCCOCCOCCOCC(=O)[O-])cc1	ZINC000096503345	229159811	/nfs/dbraw/zinc/15/98/11/229159811.db2.gz	BOUJNGOUZPSTFF-UHFFFAOYSA-N	-1	0	362.400	0.835	50	30		FCEARM
C[C@H](Oc1ccc(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1)C(=O)[O-]	ZINC000098004058	229159833	/nfs/dbraw/zinc/15/98/33/229159833.db2.gz	HHGMFHKZCXTGNZ-WDDYJBPVSA-N	-1	0	358.350	0.832	50	30		FCEARM
N#CC1=C([O-])NC(N2CCN(c3ncccn3)CC2)=NC12CCCCC2	ZINC000009419747	487525840	/nfs/dbraw/zinc/52/58/40/487525840.db2.gz	DVTCAQLRKGHSSE-CQSZACIVSA-N	-1	0	353.430	0.927	50	30		FCEARM
O=C1[N-]C(=O)C(=NNc2ccc([N+](=O)[O-])cc2Br)C(=O)N1	ZINC000006505561	204250905	/nfs/dbraw/zinc/25/09/05/204250905.db2.gz	KUPARBLYPGVVAU-UHFFFAOYSA-N	-1	0	356.092	0.491	50	30		FCEARM
CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cc(C#N)c(=O)[n-]c2C)C1	ZINC000218859733	206374640	/nfs/dbraw/zinc/37/46/40/206374640.db2.gz	UEEAAHXGQVNABH-UMSPYCQHSA-N	-1	0	356.386	0.335	50	30		FCEARM
O=C([O-])C[C@@H]1S/C(=N\N=C\c2ccc(N3CCOCC3)cc2)NC1=O	ZINC000004138684	487475035	/nfs/dbraw/zinc/47/50/35/487475035.db2.gz	FSEJBKICUFFJRC-VZWMTCDZSA-N	-1	0	362.411	0.919	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1	ZINC000220497310	488445406	/nfs/dbraw/zinc/44/54/06/488445406.db2.gz	QKUHHINHLVJAIG-HUUCEWRRSA-N	-1	0	354.366	0.916	50	30		FCEARM
O=C([O-])CCOCCOCCOCCOCCOCCOCCS	ZINC000096503489	488491720	/nfs/dbraw/zinc/49/17/20/488491720.db2.gz	RSFZNXGXOCUHLT-UHFFFAOYSA-N	-1	0	370.464	0.491	50	30		FCEARM
CC(C)(C)c1cc(C=[NH+][N-]c2nn[nH]n2)c(O)c(C=[NH+][N-]c2nnn[n-]2)c1	ZINC000225439742	518990486	/nfs/dbraw/zinc/99/04/86/518990486.db2.gz	ATXYGHVTOGSZJM-MBGCCUORSA-N	-1	0	370.381	0.608	50	30		FCEARM
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC000031372784	208012363	/nfs/dbraw/zinc/01/23/63/208012363.db2.gz	KTMLKBFMGWQTEK-UUOKFMHZSA-N	-1	0	370.222	0.124	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3csc(NC)n3)C[C@H]2C1=O	ZINC000072432925	488380981	/nfs/dbraw/zinc/38/09/81/488380981.db2.gz	RPXBBFVTCGVGCM-BJOHPYRUSA-N	-1	0	350.400	0.356	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101231565	488494527	/nfs/dbraw/zinc/49/45/27/488494527.db2.gz	NCRYBTXLDNUEKC-LLVKDONJSA-N	-1	0	357.326	0.775	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(O)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101761835	488496062	/nfs/dbraw/zinc/49/60/62/488496062.db2.gz	LCTJQCCBYHSZJY-JTQLQIEISA-N	-1	0	358.354	0.581	50	30		FCEARM
COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)n1	ZINC000048535655	534253196	/nfs/dbraw/zinc/25/31/96/534253196.db2.gz	KNMOOSKOIOQRTN-UHFFFAOYSA-N	-1	0	352.372	0.912	50	30		FCEARM
CCCCONC(=NS(=O)(=O)c1ncn[n-]1)Nc1nc(C)cc(C)n1	ZINC000008782790	528627383	/nfs/dbraw/zinc/62/73/83/528627383.db2.gz	DMRUFMFMMDFUGH-UHFFFAOYSA-N	-1	0	368.423	0.690	50	30		FCEARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NN=C(C#N)C(N)=O)cc2)n1	ZINC000009435147	207270623	/nfs/dbraw/zinc/27/06/23/207270623.db2.gz	OAAPVASPKVKYLU-BKUYFWCQSA-N	-1	0	373.398	0.671	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cccc4c3OCC4)C[C@H]2C1=O	ZINC000072409385	488380033	/nfs/dbraw/zinc/38/00/33/488380033.db2.gz	SMVNDXRGUQNZNQ-IFXJQAMLSA-N	-1	0	356.378	0.793	50	30		FCEARM
C=CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/c1ccc(S(N)(=O)=O)cc1	ZINC000101226311	488494484	/nfs/dbraw/zinc/49/44/84/488494484.db2.gz	OMVWFYHGOQIEOB-QPQCVSCISA-N	-1	0	369.424	0.926	50	30		FCEARM
C#CCNC(=O)CCc1nnc(-c2cc(OC)c(OC)c(OC)c2)[n-]c1=O	ZINC000034767984	518272644	/nfs/dbraw/zinc/27/26/44/518272644.db2.gz	WFJAQAHGNYDXLL-UHFFFAOYSA-N	-1	0	372.381	0.952	50	30		FCEARM
O=C1[N-]C(=O)C(=NNc2ccc(I)cc2)C(=O)N1	ZINC000004179709	207006052	/nfs/dbraw/zinc/00/60/52/207006052.db2.gz	RBDNFOKCTWMENJ-UHFFFAOYSA-N	-1	0	358.095	0.425	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(CCO)C2=O	ZINC000091725160	488468567	/nfs/dbraw/zinc/46/85/67/488468567.db2.gz	HEDHOHSUACRKSS-GOSISDBHSA-N	-1	0	358.398	0.414	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(O)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101761838	488496225	/nfs/dbraw/zinc/49/62/25/488496225.db2.gz	LCTJQCCBYHSZJY-SNVBAGLBSA-N	-1	0	358.354	0.581	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)[nH]c1=O	ZINC000101761830	488496251	/nfs/dbraw/zinc/49/62/51/488496251.db2.gz	ZLGWODUWWJXLCC-CYBMUJFWSA-N	-1	0	355.398	0.933	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3nnnn3-c3ccccc3)C[C@H]2C1=O	ZINC000077520085	206680916	/nfs/dbraw/zinc/68/09/16/206680916.db2.gz	PCFXDVCJEBMDKF-SUMWQHHRSA-N	-1	0	354.370	0.198	50	30		FCEARM
COc1ccc(N2CCN(C(=N[O-])c3nonc3N)CC2)c([N+](=O)[O-])c1	ZINC000252614614	488519137	/nfs/dbraw/zinc/51/91/37/488519137.db2.gz	JKVDGQCOPOKKKY-UHFFFAOYSA-N	-1	0	363.334	0.527	50	30		FCEARM
CC(C)(O)C#Cc1ccc(C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])s1	ZINC000002867352	487470533	/nfs/dbraw/zinc/47/05/33/487470533.db2.gz	BIFRHHQKSGTYHJ-LLVKDONJSA-N	-1	0	367.427	0.502	50	30		FCEARM
COc1ccc(N2CCN(/C(=N/[O-])c3nonc3N)CC2)c([N+](=O)[O-])c1	ZINC000015188301	487576846	/nfs/dbraw/zinc/57/68/46/487576846.db2.gz	JKVDGQCOPOKKKY-JQIJEIRASA-N	-1	0	363.334	0.527	50	30		FCEARM
N#Cc1cc(C(=O)[N-]S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000072310660	488379489	/nfs/dbraw/zinc/37/94/89/488379489.db2.gz	UYGIWBSBCPOLGI-UHFFFAOYSA-N	-1	0	364.427	0.465	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O	ZINC000101761819	488496218	/nfs/dbraw/zinc/49/62/18/488496218.db2.gz	YEGRTYSKQXJMSX-GFCCVEGCSA-N	-1	0	372.381	0.884	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101761786	488496341	/nfs/dbraw/zinc/49/63/41/488496341.db2.gz	XXQTUCZIGKJJLV-NSHDSACASA-N	-1	0	372.381	0.884	50	30		FCEARM
N#Cc1cccc(NC(=O)CN2[N-]S(=O)(=O)c3ccccc3C2=O)c1	ZINC000003456455	487471145	/nfs/dbraw/zinc/47/11/45/487471145.db2.gz	FBMKVAHRGFYTPJ-UHFFFAOYSA-N	-1	0	356.363	0.846	50	30		FCEARM
COC(=O)[C@@]1(C(=NO)/C(=N\[O-])[C@@]2(C(=O)OC)CCCC2=O)CCCC1=O	ZINC000006145294	487494212	/nfs/dbraw/zinc/49/42/12/487494212.db2.gz	CZZWHXMPZMJNCG-MCIYFUDISA-N	-1	0	368.342	0.472	50	30		FCEARM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1nc(S(C)(=O)=O)n2ccccc12	ZINC000101735927	488495854	/nfs/dbraw/zinc/49/58/54/488495854.db2.gz	HFUJQWSDOBPABW-JTQLQIEISA-N	-1	0	371.378	0.677	50	30		FCEARM
COc1ccc(Cc2n[n-]c(NN=Cc3c[nH]cn3)nc2=O)cc1OC	ZINC000008169719	524162608	/nfs/dbraw/zinc/16/26/08/524162608.db2.gz	GQNRYKJWPDOSGU-UFWORHAWSA-N	-1	0	355.358	0.942	50	30		FCEARM
O=C(N=S(=O)([O-])c1ccc(Cl)cc1)NC12CN3CN(CN(C3)C1)C2	ZINC000019324832	220249031	/nfs/dbraw/zinc/24/90/31/220249031.db2.gz	LVRXBPYRTOTDKH-UHFFFAOYSA-N	-1	0	371.850	0.090	50	30		FCEARM
NC1=NC(=O)C(=NNc2ccc(Br)cc2C(=O)[O-])C(=O)N1	ZINC000001237198	210337805	/nfs/dbraw/zinc/33/78/05/210337805.db2.gz	HHNRWGBUYJXGGX-UHFFFAOYSA-N	-1	0	354.120	0.727	50	30		FCEARM
COC(=O)[C@H]1CCCN1S(=O)(=O)N=C([O-])Nc1nc(C)cc(C)n1	ZINC000075273008	488396471	/nfs/dbraw/zinc/39/64/71/488396471.db2.gz	WRXLGHQVPOMLRH-SNVBAGLBSA-N	-1	0	357.392	0.302	50	30		FCEARM
COc1nc(C)nc(N(C)C([O-])=NS(=O)(=O)N2CCCCCC2)n1	ZINC000022779792	663457651	/nfs/dbraw/zinc/45/76/51/663457651.db2.gz	FWUWXPURHIMEFA-UHFFFAOYSA-N	-1	0	358.424	0.660	50	30		FCEARM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)Cc2ccccc2)cc1	ZINC000042303176	211777635	/nfs/dbraw/zinc/77/76/35/211777635.db2.gz	QLAAZXWCDBNZGI-UHFFFAOYSA-N	-1	0	357.391	0.722	50	30		FCEARM
NC(=O)C1=C([O-])[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4C[C@H]3C[C@H]2CC1=O	ZINC000001649503	210364399	/nfs/dbraw/zinc/36/43/99/210364399.db2.gz	ZXFCRFYULUUSDW-OWXODZSWSA-N	-1	0	371.345	0.581	50	30	investigational	FCEARM
N#Cc1c2cc(SCC(=O)[O-])nc(N)c2c(N)nc1N1CCOCC1	ZINC000023805594	132909650	/nfs/dbraw/zinc/90/96/50/132909650.db2.gz	XCAFFCYYJBCTNK-UHFFFAOYSA-N	-1	0	360.399	0.679	50	30		FCEARM
COC(=O)c1cc(NN=C2C(=O)[N-]C(=S)NC2=O)cc(C(=O)OC)c1	ZINC000006016604	487492776	/nfs/dbraw/zinc/49/27/76/487492776.db2.gz	YSERIJRQJIZSKO-UHFFFAOYSA-N	-1	0	364.339	0.399	50	30		FCEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CSCCC(=O)N2)cc1	ZINC000077101325	488408904	/nfs/dbraw/zinc/40/89/04/488408904.db2.gz	DVRNZTNLNOGOKI-GFCCVEGCSA-N	-1	0	371.440	0.912	50	30		FCEARM
COc1nccc(N2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)c1C#N	ZINC000092107771	488474613	/nfs/dbraw/zinc/47/46/13/488474613.db2.gz	LZXWSEHYNMNTEH-GTNSWQLSSA-N	-1	0	359.386	0.466	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cnn4ccccc34)C[C@H]2C1=O	ZINC000072447651	210066037	/nfs/dbraw/zinc/06/60/37/210066037.db2.gz	TWMYRFRMXVGFQP-SCLBCKFNSA-N	-1	0	354.366	0.506	50	30		FCEARM
O=C(c1ccccc1NN=C1C(=O)[N-]C(=O)NC1=O)N1CCCCCC1	ZINC000004309731	487476151	/nfs/dbraw/zinc/47/61/51/487476151.db2.gz	SFZUWDYXZRKQKO-UHFFFAOYSA-N	-1	0	357.370	0.837	50	30		FCEARM
COC(=O)[C@]1(C(=NO)/C(=N\[O-])[C@@]2(C(=O)OC)CCCC2=O)CCCC1=O	ZINC000005669619	487489465	/nfs/dbraw/zinc/48/94/65/487489465.db2.gz	CZZWHXMPZMJNCG-WLNUUSRZSA-N	-1	0	368.342	0.472	50	30		FCEARM
C[C@@H](Oc1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1)C(=O)[O-]	ZINC000025251702	525920388	/nfs/dbraw/zinc/92/03/88/525920388.db2.gz	HHGMFHKZCXTGNZ-OALRPVAKSA-N	-1	0	358.350	0.832	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101231561	210104223	/nfs/dbraw/zinc/10/42/23/210104223.db2.gz	VENHGZUYBNFIJA-LLVKDONJSA-N	-1	0	357.326	0.775	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(N(C)C)cc3)C2)c(=O)[nH]c1=O	ZINC000101761823	210105059	/nfs/dbraw/zinc/10/50/59/210105059.db2.gz	ZLGWODUWWJXLCC-ZDUSSCGKSA-N	-1	0	355.398	0.933	50	30		FCEARM
CS(=O)(=O)Nc1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC000033006940	487790005	/nfs/dbraw/zinc/79/00/05/487790005.db2.gz	PWFHWYLLFXBEDF-UHFFFAOYSA-N	-1	0	352.416	0.792	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCn2nc([C@@H](O)C3CC3)cc2C1	ZINC000222883301	488447541	/nfs/dbraw/zinc/44/75/41/488447541.db2.gz	NFZJFHVNVAUDNX-INIZCTEOSA-N	-1	0	353.382	0.851	50	30		FCEARM
C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](O)C[C@H]3CO)cc2[n-]c1=S	ZINC000366612528	489197874	/nfs/dbraw/zinc/19/78/74/489197874.db2.gz	ZOGDXUVDBYARCI-NWDGAFQWSA-N	-1	0	361.423	0.439	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)NCCc3ccccc3)C[C@H]2C1=O	ZINC000072457115	210065202	/nfs/dbraw/zinc/06/52/02/210065202.db2.gz	HXLUDFMDTADOJX-HNAYVOBHSA-N	-1	0	357.410	0.970	50	30		FCEARM
N#CC1=C([O-])NC(N2CCN(c3ncccn3)CC2)=NC12CCCCC2	ZINC000013653741	487564133	/nfs/dbraw/zinc/56/41/33/487564133.db2.gz	DVTCAQLRKGHSSE-AWEZNQCLSA-N	-1	0	353.430	0.927	50	30		FCEARM
COc1ccc(N2CCN(/C(=N\[O-])c3nonc3N)CC2)c([N+](=O)[O-])c1	ZINC000100560444	536675728	/nfs/dbraw/zinc/67/57/28/536675728.db2.gz	JKVDGQCOPOKKKY-PEZBUJJGSA-N	-1	0	363.334	0.527	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(S(=O)(=O)c3cccs3)C[C@H]2C1=O	ZINC000072426665	210066446	/nfs/dbraw/zinc/06/64/46/210066446.db2.gz	VFEDYYNULSKHSG-IINYFYTJSA-N	-1	0	356.425	0.468	50	30		FCEARM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1nc(S(C)(=O)=O)n2ccccc12	ZINC000101735932	488495850	/nfs/dbraw/zinc/49/58/50/488495850.db2.gz	HFUJQWSDOBPABW-SNVBAGLBSA-N	-1	0	371.378	0.677	50	30		FCEARM
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N/c1ccc(S(N)(=O)=O)cc1	ZINC000101226314	488494544	/nfs/dbraw/zinc/49/45/44/488494544.db2.gz	OMVWFYHGOQIEOB-KTEBKFLVSA-N	-1	0	369.424	0.926	50	30		FCEARM
C=CCn1c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=O	ZINC000004027359	487473758	/nfs/dbraw/zinc/47/37/58/487473758.db2.gz	PEQINJFKRBXYTN-LBPRGKRZSA-N	-1	0	360.322	0.705	50	30	biogenic	FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(F)cc(C#N)c3)C[C@H]2C1=O	ZINC000072428747	488380683	/nfs/dbraw/zinc/38/06/83/488380683.db2.gz	WEYXJLQYODOWGR-KBXCAEBGSA-N	-1	0	357.341	0.869	50	30		FCEARM
CCOC(=O)c1ccc(N=Nc2c(=N)[n-]n(S(C)(=O)=O)c2N)cc1	ZINC000016949218	220198211	/nfs/dbraw/zinc/19/82/11/220198211.db2.gz	WMVVMDHOHMYGHP-MASBFAJXSA-N	-1	0	352.376	0.366	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101761787	222284257	/nfs/dbraw/zinc/28/42/57/222284257.db2.gz	XXQTUCZIGKJJLV-LLVKDONJSA-N	-1	0	372.381	0.884	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](c2nccn2CC(N)=O)C1	ZINC000095518942	488486489	/nfs/dbraw/zinc/48/64/89/488486489.db2.gz	QHLOHQGQDNNYOG-GFCCVEGCSA-N	-1	0	368.397	0.669	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=O	ZINC000101761792	222283364	/nfs/dbraw/zinc/28/33/64/222283364.db2.gz	ULGKRNVXFUULCX-LBPRGKRZSA-N	-1	0	372.381	0.884	50	30		FCEARM
CS(=O)(=O)n1[n-]c(=N)c(N=Nc2ccc(Br)cc2)c1N	ZINC000004478181	487478481	/nfs/dbraw/zinc/47/84/81/487478481.db2.gz	DMKQVKOXTAFDIO-YBPNIDACSA-N	-1	0	359.209	0.951	50	30		FCEARM
COc1cc([N+](=O)[O-])cc(/C=N/CCNC(=O)c2nonc2N)c1[O-]	ZINC000019849904	522973638	/nfs/dbraw/zinc/97/36/38/522973638.db2.gz	KOJMRJHAHFNZAS-GIDUJCDVSA-N	-1	0	350.291	0.123	50	30		FCEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(I)cc1	ZINC000005595913	487489160	/nfs/dbraw/zinc/48/91/60/487489160.db2.gz	GFIRCEYVSNLJPC-UHFFFAOYSA-N	-1	0	374.163	0.590	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1	ZINC000219796790	488444854	/nfs/dbraw/zinc/44/48/54/488444854.db2.gz	YLIYCTXQLVRIRC-HUUCEWRRSA-N	-1	0	354.366	0.916	50	30		FCEARM
C[C@@H](Oc1ccc(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1)C(=O)[O-]	ZINC000098004059	533922738	/nfs/dbraw/zinc/92/27/38/533922738.db2.gz	HHGMFHKZCXTGNZ-DHHDDZJSSA-N	-1	0	358.350	0.832	50	30		FCEARM
COc1cc(/C=C/C(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc(OC)c1O	ZINC000005341857	487488115	/nfs/dbraw/zinc/48/81/15/487488115.db2.gz	QMISSRAMVWXTGB-AATRIKPKSA-N	-1	0	362.338	0.409	50	30		FCEARM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000033330777	487794641	/nfs/dbraw/zinc/79/46/41/487794641.db2.gz	JWRMJGJADMAOIN-UHFFFAOYSA-N	-1	0	364.383	0.088	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3onc4ccccc43)C[C@H]2C1=O	ZINC000072438865	488381189	/nfs/dbraw/zinc/38/11/89/488381189.db2.gz	WFQCIMYLVGRCNY-KPZWWZAWSA-N	-1	0	355.350	0.999	50	30		FCEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(c3cc(C(=O)NC4CC4)ccn3)C[C@H]2C1=O	ZINC000077523019	488414949	/nfs/dbraw/zinc/41/49/49/488414949.db2.gz	CRRSZVVYTVMVGB-IFXJQAMLSA-N	-1	0	370.409	0.509	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=O	ZINC000101231563	222265488	/nfs/dbraw/zinc/26/54/88/222265488.db2.gz	NCRYBTXLDNUEKC-NSHDSACASA-N	-1	0	357.326	0.775	50	30		FCEARM
O=C([O-])C[C@H]1S/C(=N\N=C\c2ccc(N3CCOCC3)cc2)NC1=O	ZINC000004138686	487475162	/nfs/dbraw/zinc/47/51/62/487475162.db2.gz	FSEJBKICUFFJRC-VGSSETLESA-N	-1	0	362.411	0.919	50	30		FCEARM
Cn1c2ccc(/C=N/N=C3\NC(=O)[C@H](CC(=O)[O-])S3)cc2n(C)c1=O	ZINC000004755515	487480258	/nfs/dbraw/zinc/48/02/58/487480258.db2.gz	JDKJKELRAGWSJZ-JRUYLCMPSA-N	-1	0	361.383	0.273	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=O	ZINC000101239037	488494431	/nfs/dbraw/zinc/49/44/31/488494431.db2.gz	ZZWUGEQIVBPBHW-JTQLQIEISA-N	-1	0	356.338	0.596	50	30		FCEARM
COC(=O)[C@@]1(C(=NO)/C(=N\[O-])[C@]2(C(=O)OC)CCCC2=O)CCCC1=O	ZINC000018054230	220221677	/nfs/dbraw/zinc/22/16/77/220221677.db2.gz	CZZWHXMPZMJNCG-BGHCIBGPSA-N	-1	0	368.342	0.472	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O	ZINC000101761815	222283709	/nfs/dbraw/zinc/28/37/09/222283709.db2.gz	YEGRTYSKQXJMSX-LBPRGKRZSA-N	-1	0	372.381	0.884	50	30		FCEARM
C=CCn1c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=O	ZINC000002145188	487470212	/nfs/dbraw/zinc/47/02/12/487470212.db2.gz	PEQINJFKRBXYTN-GFCCVEGCSA-N	-1	0	360.322	0.705	50	30	biogenic	FCEARM
O=C1[N-]C(=O)C(=NNc2cc([N+](=O)[O-])ccc2Br)C(=O)N1	ZINC000005631215	487488960	/nfs/dbraw/zinc/48/89/60/487488960.db2.gz	WVKJXVHHLKFCBY-UHFFFAOYSA-N	-1	0	356.092	0.491	50	30		FCEARM
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CCC#N)CC1	ZINC000032961961	487787914	/nfs/dbraw/zinc/78/79/14/487787914.db2.gz	AODKTXANRZIKEG-UHFFFAOYSA-N	-1	0	352.416	0.792	50	30		FCEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCn2nc([C@H](O)C3CC3)cc2C1	ZINC000222883360	488447573	/nfs/dbraw/zinc/44/75/73/488447573.db2.gz	NFZJFHVNVAUDNX-MRXNPFEDSA-N	-1	0	353.382	0.851	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)[nH]c1=O	ZINC000101239040	488494403	/nfs/dbraw/zinc/49/44/03/488494403.db2.gz	ZZWUGEQIVBPBHW-SNVBAGLBSA-N	-1	0	356.338	0.596	50	30		FCEARM
C[C@H](Oc1ccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1)C(=O)[O-]	ZINC000025251706	525929510	/nfs/dbraw/zinc/92/95/10/525929510.db2.gz	HHGMFHKZCXTGNZ-LAHYYIKRSA-N	-1	0	358.350	0.832	50	30		FCEARM
C=CCn1c([O-])c(C2=NN[C@@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=O	ZINC000101761795	222284074	/nfs/dbraw/zinc/28/40/74/222284074.db2.gz	ULGKRNVXFUULCX-GFCCVEGCSA-N	-1	0	372.381	0.884	50	30		FCEARM
CCCCNC(=O)N=S(=O)([O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000040116152	487812472	/nfs/dbraw/zinc/81/24/72/487812472.db2.gz	ZULZMHSMYAOAHG-UHFFFAOYSA-N	-1	0	363.461	0.929	50	30		FCEARM