smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc(Br)c1[O-]	ZINC000004342109	204039444	/nfs/dbraw/zinc/03/94/44/204039444.db2.gz	RODVJVGCIFTMFL-CYBMUJFWSA-N	-1	3	379.214	2.633	40	30		GFEBHM
COc1cc(Br)cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1[O-]	ZINC000408806624	533487270	/nfs/dbraw/zinc/48/72/70/533487270.db2.gz	AMVJORUVABJXML-RQZCQDPDSA-N	-1	3	399.266	2.784	40	30		GFEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1	ZINC000225083051	570451621	/nfs/dbraw/zinc/45/16/21/570451621.db2.gz	MAGBIOCGEVXWIR-UHFFFAOYSA-N	-1	3	386.429	2.706	40	30		GFEBHM
N#Cc1c(N)nc2c(c1N)[C@H](c1ccc3c(c1)OCCO3)c1ccc([O-])cc1O2	ZINC000085409462	570320641	/nfs/dbraw/zinc/32/06/41/570320641.db2.gz	UUNCZRYDXLWDBR-QGZVFWFLSA-N	-1	3	388.383	2.880	40	30		GFEBHM
C#CCOc1ccc(Br)cc1/C=C1/SC([N-]C(C)=O)=NC1=O	ZINC000032111757	518321721	/nfs/dbraw/zinc/32/17/21/518321721.db2.gz	WKHUZBNZQJTVLA-MDWZMJQESA-N	-1	3	379.235	2.568	40	30		GFEBHM
N#Cc1ccccc1OCC(=O)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F	ZINC000408562910	534819761	/nfs/dbraw/zinc/81/97/61/534819761.db2.gz	GRPKCEOHSDGTRU-GUYCJALGSA-N	-1	3	381.354	2.966	40	30		GFEBHM
CC(=O)c1nn(-c2ccccc2[N+](=O)[O-])/c(=N/N=C/c2ccc([O-])cc2)s1	ZINC000005726504	570453607	/nfs/dbraw/zinc/45/36/07/570453607.db2.gz	KCUUBUHOCLPXGJ-MNVAPZAZSA-N	-1	3	383.389	2.685	40	30		GFEBHM
CCOC(=O)CCc1c(C)nc(NC(=N)Nc2ccc(C(C)C)cc2)[n-]c1=O	ZINC000013634052	570764647	/nfs/dbraw/zinc/76/46/47/570764647.db2.gz	SFYVVLAAVFLSLI-UHFFFAOYSA-N	-1	3	385.468	2.756	40	30		GFEBHM
Cc1cccc2cc(C#N)c(NCC[N-]S(=O)(=O)c3ccccc3F)nc12	ZINC000035290872	570304810	/nfs/dbraw/zinc/30/48/10/570304810.db2.gz	QCKGROHRTZHOJF-UHFFFAOYSA-N	-1	3	384.436	2.944	40	30		GFEBHM
CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2c([O-])ccc3ccccc32)cc1	ZINC000096602867	519730220	/nfs/dbraw/zinc/73/02/20/519730220.db2.gz	VORXYMOQTYOBOX-NDENLUEZSA-N	-1	3	383.429	2.816	40	30		GFEBHM
C#CCn1cc(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)c2ccccc21	ZINC000072335547	518345374	/nfs/dbraw/zinc/34/53/74/518345374.db2.gz	SNKKHYSMOCVHMX-UHFFFAOYSA-N	-1	3	387.487	2.516	40	30		GFEBHM
C=CCOc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)cc1	ZINC000225930234	526893346	/nfs/dbraw/zinc/89/33/46/526893346.db2.gz	BRICYJDMVILBOG-UHFFFAOYSA-N	-1	3	378.475	2.763	40	30		GFEBHM
C=CCn1c(SCC2=N[C@H]3C=CC=C[C@@H]3C(=O)N2)nnc1-c1ccccc1[O-]	ZINC000111476937	527338309	/nfs/dbraw/zinc/33/83/09/527338309.db2.gz	DVUDHUBCMVOAOO-ZFWWWQNUSA-N	-1	3	393.472	2.568	40	30		GFEBHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1	ZINC000408564254	231064010	/nfs/dbraw/zinc/06/40/10/231064010.db2.gz	XKWUEEPMGQMZIL-RHSMWYFYSA-N	-1	3	381.354	2.966	40	30		GFEBHM
Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccs2)C1	ZINC000008636086	560210582	/nfs/dbraw/zinc/21/05/82/560210582.db2.gz	RSTOXBNIFXQTCH-HUUCEWRRSA-N	-1	3	376.507	2.866	40	30	biogenic,in-vitro	GFEBHM
CCOC(=O)CCc1c(C)nc(NC(=N)Nc2ccc(C)c(Cl)c2)[n-]c1=O	ZINC000013634099	570764598	/nfs/dbraw/zinc/76/45/98/570764598.db2.gz	CGCXRGYIIOUEPQ-UHFFFAOYSA-N	-1	3	391.859	2.594	40	30		GFEBHM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)CC)cc1	ZINC000019886496	518943681	/nfs/dbraw/zinc/94/36/81/518943681.db2.gz	SJMFVARXBMKUPX-UHFFFAOYSA-N	-1	3	387.461	2.616	40	30		GFEBHM
N#Cc1ccccc1OCC(=O)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F	ZINC000408562908	534819733	/nfs/dbraw/zinc/81/97/33/534819733.db2.gz	GRPKCEOHSDGTRU-DYVFJYSZSA-N	-1	3	381.354	2.966	40	30		GFEBHM
N=C(N/N=C\c1cc(Cl)ccc1[O-])C(=N)N/N=C\c1cc(Cl)ccc1O	ZINC000104369033	570302261	/nfs/dbraw/zinc/30/22/61/570302261.db2.gz	LMUZAXCSJWRMCK-BDVMWVQXSA-N	-1	3	393.234	2.906	40	30		GFEBHM
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/N=C/c2ccc([O-])cc2)s1	ZINC000005726501	570453728	/nfs/dbraw/zinc/45/37/28/570453728.db2.gz	XKYLLAKQKDWQDG-MNVAPZAZSA-N	-1	3	383.389	2.685	40	30		GFEBHM
COc1ccc([C@H]2c3ccc([O-])cc3Oc3nc(N)c(C#N)c(N)c32)cc1O	ZINC000085409493	208101213	/nfs/dbraw/zinc/10/12/13/208101213.db2.gz	JLBPVNKYORXROU-INIZCTEOSA-N	-1	3	376.372	2.823	40	30		GFEBHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C	ZINC000408674911	526574588	/nfs/dbraw/zinc/57/45/88/526574588.db2.gz	DVPULAFCHRFFOG-UHFFFAOYSA-N	-1	3	378.425	2.616	40	30		GFEBHM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccncc1	ZINC000408534929	231053702	/nfs/dbraw/zinc/05/37/02/231053702.db2.gz	MYRHYTVKNLWLRZ-CYBMUJFWSA-N	-1	3	376.294	2.702	40	30		GFEBHM
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)ccc1[O-])[C@@H]1C=C[C@H]2CC1	ZINC000016676160	570930290	/nfs/dbraw/zinc/93/02/90/570930290.db2.gz	ZHUNRZLYKAYOQB-KEIUBUJLSA-N	-1	3	375.222	2.686	40	30		GFEBHM
COc1ccccc1C=C1SC(=N[N-]c2nc(C)c(C(C)=O)s2)NC1=O	ZINC000006483812	570481472	/nfs/dbraw/zinc/48/14/72/570481472.db2.gz	COKVYQHBAPVMTI-JYRVWZFOSA-N	-1	3	388.474	2.672	40	30		GFEBHM
CCO[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)C1=CNc1n[n-]c(=S)s1	ZINC000016687962	570930791	/nfs/dbraw/zinc/93/07/91/570930791.db2.gz	CMMYXKSSKYXMQL-OJIASSBASA-N	-1	3	380.407	2.669	40	30		GFEBHM
Cc1ccccc1N1C(=O)C[C@H](SC(=N)NN=Cc2ccccc2[O-])C1=O	ZINC000004713395	570636668	/nfs/dbraw/zinc/63/66/68/570636668.db2.gz	CFWFFHZXALIVFZ-XYHOIZSOSA-N	-1	3	382.445	2.624	40	30		GFEBHM
N#Cc1ccccc1OCC(=O)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F	ZINC000408562913	534819191	/nfs/dbraw/zinc/81/91/91/534819191.db2.gz	GRPKCEOHSDGTRU-SUMWQHHRSA-N	-1	3	381.354	2.966	40	30		GFEBHM
C#CCOc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1	ZINC000019014272	212104867	/nfs/dbraw/zinc/10/48/67/212104867.db2.gz	YUIALTYQLGDSIR-IBGZPJMESA-N	-1	3	386.455	2.833	40	30		GFEBHM
C=CCn1c(SCC2=N[C@@H]3C=CC=C[C@H]3C(=O)N2)nnc1-c1ccccc1[O-]	ZINC000111476940	527338204	/nfs/dbraw/zinc/33/82/04/527338204.db2.gz	DVUDHUBCMVOAOO-UKRRQHHQSA-N	-1	3	393.472	2.568	40	30		GFEBHM
CC(C)=CC[C@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000001702729	291119222	/nfs/dbraw/zinc/11/92/22/291119222.db2.gz	MXANJRGHSFELEJ-INIZCTEOSA-N	-1	3	388.416	2.832	40	30	biogenic,in-vitro	GFEBHM
CC(C)=CC[C@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000001702729	291119223	/nfs/dbraw/zinc/11/92/23/291119223.db2.gz	MXANJRGHSFELEJ-INIZCTEOSA-N	-1	3	388.416	2.832	40	30	biogenic,in-vitro	GFEBHM
C=CCn1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1	ZINC000019552295	519277146	/nfs/dbraw/zinc/27/71/46/519277146.db2.gz	DTTXLLXGPLSFKE-GOSISDBHSA-N	-1	3	396.539	2.831	40	30		GFEBHM
N#CC1=C([O-])NC(N2CCN(Cc3ccccc3)CC2)=NC12CCCCCC2	ZINC000020466929	570947521	/nfs/dbraw/zinc/94/75/21/570947521.db2.gz	MDBNWYKOLRZENB-LJQANCHMSA-N	-1	3	379.508	2.523	40	30		GFEBHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1	ZINC000408564258	231063631	/nfs/dbraw/zinc/06/36/31/231063631.db2.gz	XKWUEEPMGQMZIL-YOEHRIQHSA-N	-1	3	381.354	2.966	40	30		GFEBHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1	ZINC000408564256	231064461	/nfs/dbraw/zinc/06/44/61/231064461.db2.gz	XKWUEEPMGQMZIL-WMLDXEAASA-N	-1	3	381.354	2.966	40	30		GFEBHM
N#CC1=C([O-])NC(N2CCc3ccccc32)=NC12CCN(Cc1ccccc1)CC2	ZINC000020673338	526497801	/nfs/dbraw/zinc/49/78/01/526497801.db2.gz	PWRYUDADSQMGQN-HXUWFJFHSA-N	-1	3	399.498	2.709	40	30		GFEBHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000006185900	570346832	/nfs/dbraw/zinc/34/68/32/570346832.db2.gz	CREYUHRDALOWTC-UHFFFAOYSA-N	-1	3	380.853	2.822	40	30		GFEBHM
C#CCn1cc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)c2ccccc21	ZINC000012145346	212095627	/nfs/dbraw/zinc/09/56/27/212095627.db2.gz	SMGBTBMCROAEFV-UHFFFAOYSA-N	-1	3	387.487	2.516	40	30		GFEBHM
Cc1ccccc1N1C(=O)C[C@@H](SC(=N)NN=Cc2ccccc2[O-])C1=O	ZINC000100527896	525222068	/nfs/dbraw/zinc/22/20/68/525222068.db2.gz	CFWFFHZXALIVFZ-BTZNOAQDSA-N	-1	3	382.445	2.624	40	30		GFEBHM
C#CCOc1ccc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1Br	ZINC000005850879	205039845	/nfs/dbraw/zinc/03/98/45/205039845.db2.gz	DCSDPKBKWKZQNX-MDWZMJQESA-N	-1	3	379.235	2.568	40	30		GFEBHM
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)ccc1[O-])[C@H]1C=C[C@@H]2CC1	ZINC000002918490	570318423	/nfs/dbraw/zinc/31/84/23/570318423.db2.gz	ZHUNRZLYKAYOQB-MNURPZRISA-N	-1	3	375.222	2.686	40	30		GFEBHM
N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc3c(c1)OCCO3)c1ccc([O-])cc1O2	ZINC000085409469	570320460	/nfs/dbraw/zinc/32/04/60/570320460.db2.gz	UUNCZRYDXLWDBR-KRWDZBQOSA-N	-1	3	388.383	2.880	40	30		GFEBHM
C#CCOc1c(Cl)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OCC	ZINC000002813530	570390738	/nfs/dbraw/zinc/39/07/38/570390738.db2.gz	ZLELXFWIDYGVFB-NTEUORMPSA-N	-1	3	378.837	2.857	40	30		GFEBHM
[O-]/N=C1/C[C@H](Sc2nc3c(c(C(F)(F)F)n2)CCCC3)[C@@H]2CO[C@H]1O2	ZINC000035823992	527589143	/nfs/dbraw/zinc/58/91/43/527589143.db2.gz	RBQFZASCJDVAKQ-UXTIOGASSA-N	-1	3	375.372	2.810	40	30		GFEBHM
N#CC1=C([O-])NC(N2CCc3ccccc32)=NC12CCN(Cc1ccccc1)CC2	ZINC000020673341	526510729	/nfs/dbraw/zinc/51/07/29/526510729.db2.gz	PWRYUDADSQMGQN-FQEVSTJZSA-N	-1	3	399.498	2.709	40	30		GFEBHM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccncc1	ZINC000408534932	231053621	/nfs/dbraw/zinc/05/36/21/231053621.db2.gz	MYRHYTVKNLWLRZ-ZDUSSCGKSA-N	-1	3	376.294	2.702	40	30		GFEBHM
COc1cc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc(Br)c1[O-]	ZINC000004342108	204038747	/nfs/dbraw/zinc/03/87/47/204038747.db2.gz	RODVJVGCIFTMFL-ZDUSSCGKSA-N	-1	3	379.214	2.633	40	30		GFEBHM
C=CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)s1	ZINC000224891077	553058305	/nfs/dbraw/zinc/05/83/05/553058305.db2.gz	ATYQPEXSNCETQC-UHFFFAOYSA-N	-1	3	384.508	2.830	40	30		GFEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1	ZINC000225678980	553060478	/nfs/dbraw/zinc/06/04/78/553060478.db2.gz	INGYKBLAQCBKCP-UHFFFAOYSA-N	-1	3	376.459	2.966	40	30		GFEBHM
CCNc1nc(=NN=Cc2cc(Br)ccc2[O-])nc(NCC)[nH]1	ZINC000005716242	520358638	/nfs/dbraw/zinc/35/86/38/520358638.db2.gz	DQRAPZGGPUIWLZ-QGMBQPNBSA-N	-1	3	380.250	2.649	40	30		GFEBHM
CCOc1cc(C=NN2C(=O)CSC2=S)c(Br)cc1[O-]	ZINC000409339716	528200121	/nfs/dbraw/zinc/20/01/21/528200121.db2.gz	LBROZMRVFPUKIV-LHHJGKSTSA-N	-1	3	375.269	2.748	40	30		GFEBHM
CC(C)=CC[C@@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000002525131	560187365	/nfs/dbraw/zinc/18/73/65/560187365.db2.gz	MXANJRGHSFELEJ-MRXNPFEDSA-N	-1	3	388.416	2.832	40	30	biogenic,in-vitro	GFEBHM
CC(C)=CC[C@@H](OC(=O)CC(C)(C)O)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000002525131	560187366	/nfs/dbraw/zinc/18/73/66/560187366.db2.gz	MXANJRGHSFELEJ-MRXNPFEDSA-N	-1	3	388.416	2.832	40	30	biogenic,in-vitro	GFEBHM
COc1cc(Br)cc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1[O-]	ZINC000008130388	570522348	/nfs/dbraw/zinc/52/23/48/570522348.db2.gz	AIEMVZOHZBEQIH-CAOOACKPSA-N	-1	3	385.239	2.561	40	30		GFEBHM
C#CCOc1c(CC=C)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OCC	ZINC000409080396	527085884	/nfs/dbraw/zinc/08/58/84/527085884.db2.gz	NNLAXNMOKXORDF-SFQUDFHCSA-N	-1	3	384.457	2.932	40	30		GFEBHM
CCO[C@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)C1=CNc1n[n-]c(=S)s1	ZINC000016687963	570930778	/nfs/dbraw/zinc/93/07/78/570930778.db2.gz	CMMYXKSSKYXMQL-PWWFUAJNSA-N	-1	3	380.407	2.669	40	30		GFEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NCC)c2)cc1	ZINC000010008938	209161502	/nfs/dbraw/zinc/16/15/02/209161502.db2.gz	VNXJWLLBFVVVNB-UHFFFAOYSA-N	-1	3	390.461	2.811	40	30		GFEBHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl	ZINC000408560652	526574467	/nfs/dbraw/zinc/57/44/67/526574467.db2.gz	DTZUETFTBOSDAG-UHFFFAOYSA-N	-1	3	398.843	2.961	40	30		GFEBHM
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408936462	570687360	/nfs/dbraw/zinc/68/73/60/570687360.db2.gz	JYUWYDKFNKSQIC-CHHVJCJISA-N	-1	3	377.269	2.571	40	30		GFEBHM
O=[N+]([O-])c1cccnc1N=NCc1ccc([O-])c(I)c1	ZINC000408963767	231137469	/nfs/dbraw/zinc/13/74/69/231137469.db2.gz	PDBLYMWVWSGIBI-VIZOYTHASA-N	-1	3	384.133	2.746	40	30		GFEBHM
C=CCn1cc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1	ZINC000019552298	519276693	/nfs/dbraw/zinc/27/66/93/519276693.db2.gz	DTTXLLXGPLSFKE-SFHVURJKSA-N	-1	3	396.539	2.831	40	30		GFEBHM
COc1ccc([C@@H]2c3ccc([O-])cc3Oc3nc(N)c(C#N)c(N)c32)cc1O	ZINC000085409486	222323834	/nfs/dbraw/zinc/32/38/34/222323834.db2.gz	JLBPVNKYORXROU-MRXNPFEDSA-N	-1	3	376.372	2.823	40	30		GFEBHM
C=CCSc1nnc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)s1	ZINC000225263244	527014684	/nfs/dbraw/zinc/01/46/84/527014684.db2.gz	WAXPKCUSCKTIMP-UHFFFAOYSA-N	-1	3	384.508	2.748	40	30		GFEBHM
C#CCOc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1	ZINC000019014270	212104885	/nfs/dbraw/zinc/10/48/85/212104885.db2.gz	YUIALTYQLGDSIR-LJQANCHMSA-N	-1	3	386.455	2.833	40	30		GFEBHM
C=CCn1c(SCC2=N[C@@H]3C=CC=C[C@@H]3C(=O)N2)nnc1-c1ccccc1[O-]	ZINC000111476934	527338692	/nfs/dbraw/zinc/33/86/92/527338692.db2.gz	DVUDHUBCMVOAOO-DZGCQCFKSA-N	-1	3	393.472	2.568	40	30		GFEBHM
O=C1Nc2ccccc2/C1=N/N=C/c1cc(I)ccc1[O-]	ZINC000036617140	570893000	/nfs/dbraw/zinc/89/30/00/570893000.db2.gz	ZKWDZPMLKURDFU-CAOOACKPSA-N	-1	3	391.168	2.772	40	30		GFEBHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1	ZINC000408564253	231064624	/nfs/dbraw/zinc/06/46/24/231064624.db2.gz	XKWUEEPMGQMZIL-PBHICJAKSA-N	-1	3	381.354	2.966	40	30		GFEBHM
O=[N+]([O-])c1ccc(N=NCc2ccc([O-])c(I)c2)nc1	ZINC000408748658	231110322	/nfs/dbraw/zinc/11/03/22/231110322.db2.gz	BPFBCEFQLOPZOR-UUASQNMZSA-N	-1	3	384.133	2.746	40	30		GFEBHM
CCOC(=O)CCc1c(C)nc(NC(=N)Nc2cccc3ccccc32)[n-]c1=O	ZINC000020477899	520715853	/nfs/dbraw/zinc/71/58/53/520715853.db2.gz	FFBJHYOIPPLWLP-UHFFFAOYSA-N	-1	3	393.447	2.786	40	30		GFEBHM
C=CCn1c(SCC2=N[C@H]3C=CC=C[C@H]3C(=O)N2)nnc1-c1ccccc1[O-]	ZINC000111476942	527338887	/nfs/dbraw/zinc/33/88/87/527338887.db2.gz	DVUDHUBCMVOAOO-HIFRSBDPSA-N	-1	3	393.472	2.568	40	30		GFEBHM
COC(=O)c1sc([N-]C(=S)NC(=O)c2cccc(F)c2)c(C#N)c1C	ZINC000408624436	534395225	/nfs/dbraw/zinc/39/52/25/534395225.db2.gz	UAPJWXZPGPHHEA-UHFFFAOYSA-N	-1	3	377.422	2.981	40	30		GFEBHM
N#Cc1ccccc1OCC(=O)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F	ZINC000408562907	534819779	/nfs/dbraw/zinc/81/97/79/534819779.db2.gz	GRPKCEOHSDGTRU-CXAGYDPISA-N	-1	3	381.354	2.966	40	30		GFEBHM
[O-]/N=C1/C[C@@H](Sc2nc3c(c(C(F)(F)F)n2)CCCC3)[C@@H]2CO[C@H]1O2	ZINC000035823989	527589544	/nfs/dbraw/zinc/58/95/44/527589544.db2.gz	RBQFZASCJDVAKQ-IPECGYBMSA-N	-1	3	375.372	2.810	40	30		GFEBHM
CCOC(=O)CCc1c(C)nc(NC(=N)Nc2cccc(Cl)c2C)[n-]c1=O	ZINC000020503608	570220682	/nfs/dbraw/zinc/22/06/82/570220682.db2.gz	VFUXZZXZVFGKSP-UHFFFAOYSA-N	-1	3	391.859	2.594	40	30		GFEBHM
N#CC1=C([O-])NC(N2CCN(Cc3ccccc3)CC2)=NC12CCCCCC2	ZINC000020466932	570947555	/nfs/dbraw/zinc/94/75/55/570947555.db2.gz	MDBNWYKOLRZENB-IBGZPJMESA-N	-1	3	379.508	2.523	40	30		GFEBHM
CCOc1cc(C=NN2C(=O)CSC2=S)cc(Br)c1[O-]	ZINC000409341974	528201389	/nfs/dbraw/zinc/20/13/89/528201389.db2.gz	CNVCOQKVAMISPE-RZNTYIFUSA-N	-1	3	375.269	2.748	40	30		GFEBHM