smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N(C)CC(=O)NCC1CCN(CC#N)CC1	ZINC000096449634	349619095	/nfs/dbraw/zinc/61/90/95/349619095.db2.gz	GCZZETHDAWLUGZ-UHFFFAOYSA-N	0	3	266.389	0.678	50	30		CCEAHN
C=CCNC(=O)CN1C[C@H]2CCC[C@@]2(C(=O)OC)C1	ZINC000097082965	349626964	/nfs/dbraw/zinc/62/69/64/349626964.db2.gz	WTMINQOMJNZECR-BXUZGUMPSA-N	0	3	266.341	0.564	50	30		CCEAHN
N#Cc1nccnc1N1CCN(c2ccncc2)C[C@@H](O)C1	ZINC000097757909	349648184	/nfs/dbraw/zinc/64/81/84/349648184.db2.gz	UMSLWBJGNZLKRF-CYBMUJFWSA-N	0	3	296.334	0.431	50	30		CCEAHN
C#CCN1CCC(C(=O)N[C@H]2CCCN(CC)C2)CC1	ZINC000065591949	348722873	/nfs/dbraw/zinc/72/28/73/348722873.db2.gz	FNTNQSJRULLCGO-HNNXBMFYSA-N	0	3	277.412	0.932	50	30		CCEAHN
CN1C(=O)[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2C1=O	ZINC000257180164	352549121	/nfs/dbraw/zinc/54/91/21/352549121.db2.gz	KFJOGANUJYRJFA-BETUJISGSA-N	0	3	269.304	0.605	50	30		CCEAHN
N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](O)C2)cc1	ZINC000044869304	388872028	/nfs/dbraw/zinc/87/20/28/388872028.db2.gz	DBYSCSVITOBSML-LSDHHAIUSA-N	0	3	290.363	0.949	50	30		CCEAHN
CN(CCC#N)C(=O)CN1CCC(c2ccn[nH]2)CC1	ZINC000058229707	388935577	/nfs/dbraw/zinc/93/55/77/388935577.db2.gz	ARMSCSGOAFWHBH-UHFFFAOYSA-N	0	3	275.356	0.961	50	30		CCEAHN
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCCNC1	ZINC000070430977	388955542	/nfs/dbraw/zinc/95/55/42/388955542.db2.gz	VRPLBNCIADLXPN-LBPRGKRZSA-N	0	3	279.365	0.897	50	30		CCEAHN
C#CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1	ZINC000374295093	389566198	/nfs/dbraw/zinc/56/61/98/389566198.db2.gz	LXQHDOBPGBVFMZ-ZIAGYGMSSA-N	0	3	278.400	0.287	50	30		CCEAHN
C#CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000083812578	544489395	/nfs/dbraw/zinc/48/93/95/544489395.db2.gz	RXEVELHFPIIOQA-HIFRSBDPSA-N	0	3	275.396	0.827	50	30		CCEAHN
N#Cc1cnc(NCCCN2CCC(O)CC2)nc1N	ZINC000670468736	545236962	/nfs/dbraw/zinc/23/69/62/545236962.db2.gz	QJQFWWGWQLZOAY-UHFFFAOYSA-N	0	3	276.344	0.189	50	30		CCEAHN
Cc1nnc2n1C[C@@H](CN(C)C)N(C(=O)C#CC1CC1)C2	ZINC000685941957	545870429	/nfs/dbraw/zinc/87/04/29/545870429.db2.gz	FFFVMRFKMUKUAZ-CYBMUJFWSA-N	0	3	287.367	0.272	50	30		CCEAHN
CN1CCN(c2cccc(C#N)n2)C[C@@]12CCNC(=O)CC2	ZINC000107697692	349739940	/nfs/dbraw/zinc/73/99/40/349739940.db2.gz	PKABMPQPMSNSTR-MRXNPFEDSA-N	0	3	299.378	0.744	50	30		CCEAHN
N/C(CCN1CCN(Cc2ccccc2)CC1)=N/O	ZINC000019432456	348061878	/nfs/dbraw/zinc/06/18/78/348061878.db2.gz	PQYIKYZLHCEQIS-UHFFFAOYSA-N	0	3	262.357	0.941	50	30		CCEAHN
C#CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2nccn2C)C1	ZINC000230192303	352106746	/nfs/dbraw/zinc/10/67/46/352106746.db2.gz	SMSVIRGTQGPZKI-KGLIPLIRSA-N	0	3	288.395	0.813	50	30		CCEAHN
C[C@H](Cn1cccn1)NCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000069438653	388950699	/nfs/dbraw/zinc/95/06/99/388950699.db2.gz	PTNFYVBQXPQRIQ-RISCZKNCSA-N	0	3	275.356	0.670	50	30		CCEAHN
Cc1c(CN[C@@H]2CCCCNC2=O)cc(C#N)n1C	ZINC000077327095	544467377	/nfs/dbraw/zinc/46/73/77/544467377.db2.gz	NOXUKAHBMIYAGZ-CYBMUJFWSA-N	0	3	260.341	0.964	50	30		CCEAHN
N[C@@H]1CO[S@](=O)O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006557410	295324218	/nfs/dbraw/zinc/32/42/18/295324218.db2.gz	YVIPBFMAZYCJJP-KSRUKNBBSA-N	0	3	258.255	0.589	50	30		CCEAHN
N[C@@H]1Cc2nonc2C/C1=N/c1ccc2nonc2c1	ZINC000100018111	349654557	/nfs/dbraw/zinc/65/45/57/349654557.db2.gz	YFJRMAKUJCEJJK-IQZYPBNMSA-N	0	3	270.252	0.804	50	30		CCEAHN
C=CCOCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21	ZINC000253424946	352534800	/nfs/dbraw/zinc/53/48/00/352534800.db2.gz	YMPFVYQCQKDHDT-OLZOCXBDSA-N	0	3	267.373	0.925	50	30		CCEAHN
COCCN1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000426436850	389667684	/nfs/dbraw/zinc/66/76/84/389667684.db2.gz	ZHWMQGXTTIJTIN-NSHDSACASA-N	0	3	276.340	0.584	50	30		CCEAHN
CNC(=O)C(C#N)C(=O)CN1CCCCCCC1=O	ZINC000102765843	349684413	/nfs/dbraw/zinc/68/44/13/349684413.db2.gz	WAFUWSUKCBYLBI-SNVBAGLBSA-N	0	3	265.313	0.234	50	30		CCEAHN
C=CCOCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21	ZINC000253424947	352534469	/nfs/dbraw/zinc/53/44/69/352534469.db2.gz	YMPFVYQCQKDHDT-QWHCGFSZSA-N	0	3	267.373	0.925	50	30		CCEAHN
C=CCOCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21	ZINC000253424944	352534887	/nfs/dbraw/zinc/53/48/87/352534887.db2.gz	YMPFVYQCQKDHDT-CHWSQXEVSA-N	0	3	267.373	0.925	50	30		CCEAHN
Cc1nnc(N2CCO[C@@H](CN(C)C)C2)c(C#N)c1C	ZINC000069737511	282321241	/nfs/dbraw/zinc/32/12/41/282321241.db2.gz	IGDUHLKFNJNFJP-LBPRGKRZSA-N	0	3	275.356	0.732	50	30		CCEAHN
N#Cc1c[nH]c(C(=O)NC[C@@H](O)CN2CCCC2)c1	ZINC000084056998	349313270	/nfs/dbraw/zinc/31/32/70/349313270.db2.gz	OXCMGIMCWJCHMY-LLVKDONJSA-N	0	3	262.313	0.073	50	30		CCEAHN
CN1CC[C@H]2OCCN(c3ncccc3C#N)[C@@H]2C1	ZINC000284618081	388780550	/nfs/dbraw/zinc/78/05/50/388780550.db2.gz	SOWXSKOZCHNQKZ-CHWSQXEVSA-N	0	3	258.325	0.863	50	30		CCEAHN
CN1CCN2CCN(Cc3ccc(C#CCO)cc3)C[C@@H]2C1	ZINC000065464818	388943248	/nfs/dbraw/zinc/94/32/48/388943248.db2.gz	RITVIPKADGXOHY-SFHVURJKSA-N	0	3	299.418	0.462	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1	ZINC000100828041	397402108	/nfs/dbraw/zinc/40/21/08/397402108.db2.gz	XPOSXHVZLOPCNT-NEPJUHHUSA-N	0	3	291.351	0.478	50	30		CCEAHN
CCC#CCn1ncc(N2CCCN(C)CC2)cc1=O	ZINC000095500779	349614432	/nfs/dbraw/zinc/61/44/32/349614432.db2.gz	AAGYVKQAZUUKAW-UHFFFAOYSA-N	0	3	274.368	0.799	50	30		CCEAHN
Cn1cc(C#N)cc1C(=O)NCc1cc2n(n1)CCCNC2	ZINC000097088106	349626728	/nfs/dbraw/zinc/62/67/28/349626728.db2.gz	DDXHADDBSKTHHY-UHFFFAOYSA-N	0	3	298.350	0.517	50	30		CCEAHN
C=CCOCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21	ZINC000253424948	352534607	/nfs/dbraw/zinc/53/46/07/352534607.db2.gz	YMPFVYQCQKDHDT-STQMWFEESA-N	0	3	267.373	0.925	50	30		CCEAHN
COc1cc(C=NNC(=N)N)cc(OC)c1OC	ZINC000004342955	347993244	/nfs/dbraw/zinc/99/32/44/347993244.db2.gz	LDLMSHUTQZWFDD-MKMNVTDBSA-N	0	3	252.274	0.320	50	30		CCEAHN
C=CCNC(=O)NC(=O)CN(C[C@@H]1CCOC1)C1CC1	ZINC000036396630	348166738	/nfs/dbraw/zinc/16/67/38/348166738.db2.gz	YUBVIROAAWKOKJ-NSHDSACASA-N	0	3	281.356	0.499	50	30		CCEAHN
C=CCN(CC=C)C(=O)CN[C@H]1CCCN(C(C)=O)C1	ZINC000065465260	348717042	/nfs/dbraw/zinc/71/70/42/348717042.db2.gz	OHJWOHJSTGNDTQ-AWEZNQCLSA-N	0	3	279.384	0.788	50	30		CCEAHN
CN1CCO[C@@H](CNCCOc2ccccc2C#N)C1	ZINC000072267865	348918179	/nfs/dbraw/zinc/91/81/79/348918179.db2.gz	OBMNMXAGQRRYHR-AWEZNQCLSA-N	0	3	275.352	0.857	50	30		CCEAHN
N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1	ZINC000195530685	351918383	/nfs/dbraw/zinc/91/83/83/351918383.db2.gz	DBYSCSVITOBSML-HUUCEWRRSA-N	0	3	290.363	0.949	50	30		CCEAHN
CNC(=O)[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1COC	ZINC000257192601	352550937	/nfs/dbraw/zinc/55/09/37/352550937.db2.gz	QSZHAIBOYKSTRX-LSDHHAIUSA-N	0	3	287.363	0.999	50	30		CCEAHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@@H](CN(C)C)C1	ZINC000229536889	389156007	/nfs/dbraw/zinc/15/60/07/389156007.db2.gz	WVVKWTGLXDMYLN-DZGCQCFKSA-N	0	3	296.415	0.303	50	30		CCEAHN
COCCN1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000426442707	389667602	/nfs/dbraw/zinc/66/76/02/389667602.db2.gz	SLJRWVNVTMTLRB-GFCCVEGCSA-N	0	3	290.367	0.975	50	30		CCEAHN
C=C(C)CN1CCC(NC(=O)NCC(=O)NC(C)C)CC1	ZINC000078602446	177358879	/nfs/dbraw/zinc/35/88/79/177358879.db2.gz	BITJXLSFMWZFPD-UHFFFAOYSA-N	0	3	296.415	0.851	50	30		CCEAHN
CN(C)C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCO1	ZINC000069951257	260151187	/nfs/dbraw/zinc/15/11/87/260151187.db2.gz	HNHYFNKEAUHAKA-HIFRSBDPSA-N	0	3	294.399	0.057	50	30		CCEAHN
N#Cc1cnc(N2CC[C@@H](N3CCCCC3)C2)nc1N	ZINC000670455280	545236530	/nfs/dbraw/zinc/23/65/30/545236530.db2.gz	BKYCUPRGXIXXOT-GFCCVEGCSA-N	0	3	272.356	0.825	50	30		CCEAHN
C=CCNC(=S)N[C@@H]1C2CN3CC1(CC)CN(C2)CC3	ZINC000022032098	388797116	/nfs/dbraw/zinc/79/71/16/388797116.db2.gz	VAYJNCIXKZWDMY-JVWICGRDSA-N	0	3	294.468	0.663	50	30		CCEAHN
C=CCCC(=O)N1CCO[C@@]2(C1)CNCCOC2	ZINC000072161680	388959564	/nfs/dbraw/zinc/95/95/64/388959564.db2.gz	LSLZYQSRFMCWNJ-CYBMUJFWSA-N	0	3	254.330	0.170	50	30		CCEAHN
CC1CCN(C[C@H](O)CNC(=O)C(C)(C)C#N)CC1	ZINC000096407864	389059742	/nfs/dbraw/zinc/05/97/42/389059742.db2.gz	OTVRALACLSLDKL-GFCCVEGCSA-N	0	3	267.373	0.745	50	30		CCEAHN
COCCN1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1	ZINC000426442715	389667265	/nfs/dbraw/zinc/66/72/65/389667265.db2.gz	SLJRWVNVTMTLRB-LBPRGKRZSA-N	0	3	290.367	0.975	50	30		CCEAHN
C=CCN(C)CCN(CC)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000548390024	334153775	/nfs/dbraw/zinc/15/37/75/334153775.db2.gz	TTWCUFAAWVKBBM-UHFFFAOYSA-N	0	3	295.343	0.758	50	30		CCEAHN
Cn1nnnc1SCCNCC#Cc1ccccc1	ZINC000002181769	527660094	/nfs/dbraw/zinc/66/00/94/527660094.db2.gz	VXJAYEGPALIBPV-UHFFFAOYSA-N	0	3	273.365	0.944	50	30		CCEAHN
C[NH+](C)CCCNC(=O)c1ccc(/C=N/[O-])nc1	ZINC000001746794	347962802	/nfs/dbraw/zinc/96/28/02/347962802.db2.gz	OKVPUPXLGMFODQ-OQLLNIDSSA-N	0	3	250.302	0.571	50	30		CCEAHN
C[C@@H](CO)N1CCCN(c2cccc(C#N)n2)CC1	ZINC000253429540	352535930	/nfs/dbraw/zinc/53/59/30/352535930.db2.gz	DXMAIZKJWFFKPU-LBPRGKRZSA-N	0	3	260.341	0.846	50	30		CCEAHN
COC(=O)CCN(CC(=O)NCCC#N)CC(C)C	ZINC000058130123	348621240	/nfs/dbraw/zinc/62/12/40/348621240.db2.gz	OUQJAWSXFNSFBT-UHFFFAOYSA-N	0	3	269.345	0.537	50	30		CCEAHN
C[C@H](CO)N1CCCN(c2cccc(C#N)n2)CC1	ZINC000253429537	279360386	/nfs/dbraw/zinc/36/03/86/279360386.db2.gz	DXMAIZKJWFFKPU-GFCCVEGCSA-N	0	3	260.341	0.846	50	30		CCEAHN
N[C@H]1Cc2nonc2C/C1=N/c1ccc2nonc2c1	ZINC000004344141	279692040	/nfs/dbraw/zinc/69/20/40/279692040.db2.gz	YFJRMAKUJCEJJK-VBYWKDERSA-N	0	3	270.252	0.804	50	30		CCEAHN
N#Cc1ccc(N[C@H]2COC[C@@H]2N2CCCC2)nc1	ZINC000534649409	328343942	/nfs/dbraw/zinc/34/39/42/328343942.db2.gz	HIAUFPANMGBPDY-STQMWFEESA-N	0	3	258.325	0.650	50	30		CCEAHN
Cc1cc(C#N)c(N2C[C@H](O)[C@@H](N(C)C)C2)nc1C	ZINC000670461400	545236759	/nfs/dbraw/zinc/23/67/59/545236759.db2.gz	PYFWTGMVIHWKTR-STQMWFEESA-N	0	3	260.341	0.681	50	30		CCEAHN
C=CCNC(=S)N[C@H]1C2CN3CC1(C)CN(C2)CC3	ZINC000019773602	651014866	/nfs/dbraw/zinc/01/48/66/651014866.db2.gz	UWHFRWCKHBAHEK-LXVYMNJGSA-N	0	3	280.441	0.272	50	30		CCEAHN
C=CCn1cc(CNCCN2CCC[C@@H](O)C2)c(C)n1	ZINC000055226108	348573818	/nfs/dbraw/zinc/57/38/18/348573818.db2.gz	GPKNSOXKCAPTIY-OAHLLOKOSA-N	0	3	278.400	0.924	50	30		CCEAHN
C#CCCNC(=O)N[C@H]1CCCN(CCOC)C1	ZINC000072282564	348918639	/nfs/dbraw/zinc/91/86/39/348918639.db2.gz	BXXQLOXTEACZSH-LBPRGKRZSA-N	0	3	253.346	0.420	50	30		CCEAHN
C=CCN1CCC(NC(=O)N[C@H](CO)C(C)C)CC1	ZINC000078959098	349161188	/nfs/dbraw/zinc/16/11/88/349161188.db2.gz	BYJFWECCLHIHKS-CYBMUJFWSA-N	0	3	269.389	0.953	50	30		CCEAHN
N=C(N)NN=Cc1ccc(N2CCOCC2)s1	ZINC000252448017	352514642	/nfs/dbraw/zinc/51/46/42/352514642.db2.gz	REWGQMVZCUEMOQ-UHFFFAOYSA-N	0	3	253.331	0.402	50	30		CCEAHN
c1ccc(C23CN4CC(CN(C2)CC4)[C@]32CO2)cc1	ZINC000022938939	388798941	/nfs/dbraw/zinc/79/89/41/388798941.db2.gz	ULGUVIDWOCPAGC-UYSNPLJNSA-N	0	3	256.349	0.954	50	30	biogenic	CCEAHN
CN1CC[C@H]2CC[C@@H](C1)N2c1ncc(C#N)c(N)n1	ZINC000670452821	545236176	/nfs/dbraw/zinc/23/61/76/545236176.db2.gz	ANNMVVDEBVCWRC-MNOVXSKESA-N	0	3	258.329	0.434	50	30		CCEAHN
C[C@H](C(=O)N1CCN(CC#N)CC1)N1CCCCCC1	ZINC000081422347	349263538	/nfs/dbraw/zinc/26/35/38/349263538.db2.gz	NYGOLSWRGGPQIH-CQSZACIVSA-N	0	3	278.400	0.919	50	30		CCEAHN
C=CCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1	ZINC000089893947	349411024	/nfs/dbraw/zinc/41/10/24/349411024.db2.gz	QCQIKBQUQFCIFZ-CHWSQXEVSA-N	0	3	272.414	0.804	50	30		CCEAHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1	ZINC000217578452	351949214	/nfs/dbraw/zinc/94/92/14/351949214.db2.gz	MJTAYOHHSGPBHU-KGLIPLIRSA-N	0	3	276.336	0.755	50	30		CCEAHN
CN(C)[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1O	ZINC000218002804	351952237	/nfs/dbraw/zinc/95/22/37/351952237.db2.gz	WXEIYMFCBIOZGU-STQMWFEESA-N	0	3	259.309	0.305	50	30		CCEAHN
C=CCc1ccccc1OC[C@@H](O)CN(CCO)CCO	ZINC000002451890	256844719	/nfs/dbraw/zinc/84/47/19/256844719.db2.gz	DHFQXTWQKGQTSU-HNNXBMFYSA-N	0	3	295.379	0.441	50	30		CCEAHN
c1ccc(C23CN4CC(CN(C2)CC4)[C@@]32CO2)cc1	ZINC000022457812	388797066	/nfs/dbraw/zinc/79/70/66/388797066.db2.gz	ULGUVIDWOCPAGC-GPANFISMSA-N	0	3	256.349	0.954	50	30	biogenic	CCEAHN
N#Cc1c[nH]c(C(=O)NCCN2CCCC[C@@H]2CO)c1	ZINC000426387779	389664706	/nfs/dbraw/zinc/66/47/06/389664706.db2.gz	BBBJTNPMPGLATA-GFCCVEGCSA-N	0	3	276.340	0.463	50	30		CCEAHN
CN(C)c1nc(N)nc(C(C#N)C(=O)Nc2ccccc2)n1	ZINC000089326856	349382230	/nfs/dbraw/zinc/38/22/30/349382230.db2.gz	LOEKLTKRRHXFBE-SNVBAGLBSA-N	0	3	297.322	0.766	50	30		CCEAHN
C=CCn1cc(CNCCN2CCNC2=O)c(C)n1	ZINC000055369842	388931726	/nfs/dbraw/zinc/93/17/26/388931726.db2.gz	ZRFMQAHKJMFUCF-UHFFFAOYSA-N	0	3	263.345	0.492	50	30		CCEAHN
CCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)CSCC#N	ZINC000242346891	389202304	/nfs/dbraw/zinc/20/23/04/389202304.db2.gz	ZJZAQXXXXFGIEC-NWDGAFQWSA-N	0	3	283.397	0.565	50	30		CCEAHN
Cc1c(CNC[C@H]2CN(C)CCO2)cc(C#N)n1C	ZINC000105471900	411697707	/nfs/dbraw/zinc/69/77/07/411697707.db2.gz	ONOHNXIGLBHTDD-AWEZNQCLSA-N	0	3	262.357	0.625	50	30		CCEAHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@H](CN(C)C)C1	ZINC000069815863	280101874	/nfs/dbraw/zinc/10/18/74/280101874.db2.gz	WVVKWTGLXDMYLN-UKRRQHHQSA-N	0	3	296.415	0.303	50	30		CCEAHN
C=CCC[C@H](O)CN1CCC[C@@H]1C(=O)N1CCOCC1	ZINC000095966178	185045882	/nfs/dbraw/zinc/04/58/82/185045882.db2.gz	DNHFBLBUBIXQQS-UONOGXRCSA-N	0	3	282.384	0.637	50	30		CCEAHN
CCN(CC)CCNC(=O)C(=O)Nc1ccccc1C#N	ZINC000004583612	347997759	/nfs/dbraw/zinc/99/77/59/347997759.db2.gz	REDUYEAIDBNENZ-UHFFFAOYSA-N	0	3	288.351	0.955	50	30		CCEAHN
COc1cc2c(C#N)c(N3CCNCC3)nc(N)c2c(N)n1	ZINC000003366294	347982241	/nfs/dbraw/zinc/98/22/41/347982241.db2.gz	RVANNCBZOQZKLV-UHFFFAOYSA-N	0	3	299.338	0.084	50	30		CCEAHN
CC#CCN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055649	349066647	/nfs/dbraw/zinc/06/66/47/349066647.db2.gz	ARSDMNRBUCZIJR-UKRRQHHQSA-N	0	3	263.385	0.494	50	30		CCEAHN
CC#CCN1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1	ZINC000257365897	352554031	/nfs/dbraw/zinc/55/40/31/352554031.db2.gz	ARSDMNRBUCZIJR-HIFRSBDPSA-N	0	3	263.385	0.494	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC000103691396	397407385	/nfs/dbraw/zinc/40/73/85/397407385.db2.gz	CIZZBAPYCFGVJT-VXGBXAGGSA-N	0	3	293.367	0.867	50	30		CCEAHN
Cc1ccc(-n2nc(C#N)c(N3CCNCC3)n2)cc1	ZINC000025183605	280746935	/nfs/dbraw/zinc/74/69/35/280746935.db2.gz	HCAYSVMDPGDELY-UHFFFAOYSA-N	0	3	268.324	0.857	50	30		CCEAHN
N#Cc1cccc(NCCCN2CCC(C(N)=O)CC2)n1	ZINC000534675364	328356108	/nfs/dbraw/zinc/35/61/08/328356108.db2.gz	NRYYEAJZKZTAMM-UHFFFAOYSA-N	0	3	287.367	0.953	50	30		CCEAHN
C=CCN1CC[C@@H](CNC(=O)N(C)Cc2ncon2)C1	ZINC000670459156	545236400	/nfs/dbraw/zinc/23/64/00/545236400.db2.gz	QHAIXHFCDZENHW-NSHDSACASA-N	0	3	279.344	0.719	50	30		CCEAHN
C=CCN(CC=C)C(=O)C[n+]1cccc(/C=N/[O-])c1	ZINC000001919994	347963810	/nfs/dbraw/zinc/96/38/10/347963810.db2.gz	JPDZQTAJEQPKEN-XNTDXEJSSA-O	0	3	260.317	0.983	50	30		CCEAHN
C[C@H](Cn1cccn1)N[C@@H](C)C(=O)N(C)CCC#N	ZINC000071879143	348912561	/nfs/dbraw/zinc/91/25/61/348912561.db2.gz	HGDZWQMSEYTFTP-NEPJUHHUSA-N	0	3	263.345	0.622	50	30		CCEAHN
COCCN1CC[C@H](CN(C)C(=O)c2cc(C#N)c[nH]2)C1	ZINC000584890612	359230535	/nfs/dbraw/zinc/23/05/35/359230535.db2.gz	ZOKBUYRPPHXRHM-GFCCVEGCSA-N	0	3	290.367	0.927	50	30		CCEAHN
O=C(NCC#CCN1CCCCC1)c1ccc[nH]c1=O	ZINC000085470560	179076145	/nfs/dbraw/zinc/07/61/45/179076145.db2.gz	QYCQIFBYJMOWCA-UHFFFAOYSA-N	0	3	273.336	0.594	50	30		CCEAHN
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c(F)c1	ZINC000237716043	352279831	/nfs/dbraw/zinc/27/98/31/352279831.db2.gz	FASKVBIJKCWFAJ-LLVKDONJSA-N	0	3	297.355	0.975	50	30		CCEAHN
CN1CC[C@@H]2OCCN(c3ncccc3C#N)[C@H]2C1	ZINC000284618094	283090914	/nfs/dbraw/zinc/09/09/14/283090914.db2.gz	SOWXSKOZCHNQKZ-STQMWFEESA-N	0	3	258.325	0.863	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC(=O)N(CC2CC2)C1	ZINC000100828054	397402120	/nfs/dbraw/zinc/40/21/20/397402120.db2.gz	XPOSXHVZLOPCNT-NWDGAFQWSA-N	0	3	291.351	0.478	50	30		CCEAHN
CC#CCN1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1	ZINC000257365898	352553588	/nfs/dbraw/zinc/55/35/88/352553588.db2.gz	ARSDMNRBUCZIJR-ZFWWWQNUSA-N	0	3	263.385	0.494	50	30		CCEAHN
C=C(C)CN(CC)C(=O)CN1CCO[C@@H](CN(C)C)C1	ZINC000069972505	388952612	/nfs/dbraw/zinc/95/26/12/388952612.db2.gz	JMCZLECTYHBKRJ-AWEZNQCLSA-N	0	3	283.416	0.673	50	30		CCEAHN
N#Cc1cccc(CS(=O)(=O)N[C@H]2CCCNC2)c1	ZINC000071397478	176151536	/nfs/dbraw/zinc/15/15/36/176151536.db2.gz	ZSLIFQFOTXKAQV-ZDUSSCGKSA-N	0	3	279.365	0.730	50	30		CCEAHN
C#CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000060470602	348644582	/nfs/dbraw/zinc/64/45/82/348644582.db2.gz	RXEVELHFPIIOQA-UKRRQHHQSA-N	0	3	275.396	0.827	50	30		CCEAHN
C=CCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC1	ZINC000089893941	349411181	/nfs/dbraw/zinc/41/11/81/349411181.db2.gz	JSHUGBFTGNJJOR-NEPJUHHUSA-N	0	3	258.387	0.414	50	30		CCEAHN
C=C(C)CN(CC)C(=O)CN1CCO[C@H](CN(C)C)C1	ZINC000069972503	388952789	/nfs/dbraw/zinc/95/27/89/388952789.db2.gz	JMCZLECTYHBKRJ-CQSZACIVSA-N	0	3	283.416	0.673	50	30		CCEAHN
C#CCOc1cc(CNC(=O)CNC)ccc1OC	ZINC000240871433	131080373	/nfs/dbraw/zinc/08/03/73/131080373.db2.gz	IKNFJKSSQDQXKQ-UHFFFAOYSA-N	0	3	262.309	0.543	50	30		CCEAHN
N[C@@H]1CO[S@@](=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000055425337	303475258	/nfs/dbraw/zinc/47/52/58/303475258.db2.gz	YVIPBFMAZYCJJP-MHIIWPAESA-N	0	3	258.255	0.589	50	30		CCEAHN
C=CCNc1nc(NCCO)nc(N2CCCC2)n1	ZINC000002818084	347974049	/nfs/dbraw/zinc/97/40/49/347974049.db2.gz	XPCGTGLUYKYDKX-UHFFFAOYSA-N	0	3	264.333	0.474	50	30		CCEAHN
COCCN(CCN(C)C)C(=O)c1ccc(C#N)c(C)n1	ZINC000070006599	348868862	/nfs/dbraw/zinc/86/88/62/348868862.db2.gz	IJFFNDVLRCXTFC-UHFFFAOYSA-N	0	3	290.367	0.912	50	30		CCEAHN
C=CCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCCCC1	ZINC000089893948	349411252	/nfs/dbraw/zinc/41/12/52/349411252.db2.gz	QCQIKBQUQFCIFZ-QWHCGFSZSA-N	0	3	272.414	0.804	50	30		CCEAHN
C=CCn1cc(CNC[C@@H](O)c2nccn2C)c(C)n1	ZINC000055109072	388930324	/nfs/dbraw/zinc/93/03/24/388930324.db2.gz	KNQDMADZIKNUBI-CYBMUJFWSA-N	0	3	275.356	0.934	50	30		CCEAHN
Cc1cccc(S(=O)(=O)NC2CNC2)c1C#N	ZINC000195555229	336056281	/nfs/dbraw/zinc/05/62/81/336056281.db2.gz	KZUUCQNUYVCXJZ-UHFFFAOYSA-N	0	3	251.311	0.117	50	30		CCEAHN
N#Cc1cnc(N2CC[C@H](N3CCCCC3)C2)nc1N	ZINC000670455281	545236500	/nfs/dbraw/zinc/23/65/00/545236500.db2.gz	BKYCUPRGXIXXOT-LBPRGKRZSA-N	0	3	272.356	0.825	50	30		CCEAHN
CN(C)C[C@H]1COCCN1C(=O)c1cccc(C#N)c1	ZINC000085470193	282141251	/nfs/dbraw/zinc/14/12/51/282141251.db2.gz	VKSYDSPVEIRRPO-AWEZNQCLSA-N	0	3	273.336	0.961	50	30		CCEAHN
CN1CCO[C@H](CNCCOc2ccccc2C#N)C1	ZINC000072267864	348918109	/nfs/dbraw/zinc/91/81/09/348918109.db2.gz	OBMNMXAGQRRYHR-CQSZACIVSA-N	0	3	275.352	0.857	50	30		CCEAHN
N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1	ZINC000584897968	359237835	/nfs/dbraw/zinc/23/78/35/359237835.db2.gz	VEWONGAXEPMFEH-STQMWFEESA-N	0	3	274.324	0.167	50	30		CCEAHN
C=CC[C@@]1(C(=O)NCCCc2cc(=O)[nH][n-]2)CCC[NH2+]1	ZINC000585136484	359251439	/nfs/dbraw/zinc/25/14/39/359251439.db2.gz	IAKUBJDBLUZSQO-AWEZNQCLSA-N	0	3	278.356	0.862	50	30		CCEAHN
N#Cc1nccnc1NCCCN1CCC(C(N)=O)CC1	ZINC000534653674	420412097	/nfs/dbraw/zinc/41/20/97/420412097.db2.gz	REIOWRXBILPPIQ-UHFFFAOYSA-N	0	3	288.355	0.348	50	30		CCEAHN
CN(C)CCC[NH2+]CCCCCCNC(=O)/C=N/[O-]	ZINC000095115842	349591418	/nfs/dbraw/zinc/59/14/18/349591418.db2.gz	DZUXHMJIANVMMG-FOWTUZBSSA-N	0	3	272.393	0.664	50	30		CCEAHN
Cc1cnn(CCNCC(=O)NC2(C#N)CCCC2)c1	ZINC000072253051	388960923	/nfs/dbraw/zinc/96/09/23/388960923.db2.gz	DAQSSNMHFBKZND-UHFFFAOYSA-N	0	3	275.356	0.734	50	30		CCEAHN
CN1CCO[C@H](CNCCOc2cccc(C#N)c2)C1	ZINC000071879294	176287309	/nfs/dbraw/zinc/28/73/09/176287309.db2.gz	GWZAAWIPKCNWHM-OAHLLOKOSA-N	0	3	275.352	0.857	50	30		CCEAHN
C#CCNC(=O)NC[C@H](O)CN1CCC(C)CC1	ZINC000071890065	176290981	/nfs/dbraw/zinc/29/09/81/176290981.db2.gz	QCEFJGWOZRZOFA-LBPRGKRZSA-N	0	3	253.346	0.012	50	30		CCEAHN
COc1ncc(-c2c(C#N)c(N)nc3c2CN(C)CC3)cn1	ZINC000072140347	278087105	/nfs/dbraw/zinc/08/71/05/278087105.db2.gz	NCSLTFRYYJRQBT-UHFFFAOYSA-N	0	3	296.334	0.989	50	30		CCEAHN
COCCN1CC[C@@H](CN(C)c2ncc(C#N)c(N)n2)C1	ZINC000670464153	545236976	/nfs/dbraw/zinc/23/69/76/545236976.db2.gz	MNEXTMRNYBXNNO-NSHDSACASA-N	0	3	290.371	0.165	50	30		CCEAHN
C=CCN(CC=C)C[C@H](O)CN1C(=O)NC(C)(C)C1=O	ZINC000004951933	622815407	/nfs/dbraw/zinc/81/54/07/622815407.db2.gz	YLQNFBJDVGCRMB-NSHDSACASA-N	0	3	281.356	0.352	50	30		CCEAHN
CN(C)CC#CCNS(=O)(=O)c1cc(F)cc(F)c1	ZINC000075164388	349025419	/nfs/dbraw/zinc/02/54/19/349025419.db2.gz	BLBALOIPTKKBBG-UHFFFAOYSA-N	0	3	288.319	0.808	50	30		CCEAHN
CN(C)C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1	ZINC000247090537	389236236	/nfs/dbraw/zinc/23/62/36/389236236.db2.gz	HNHYFNKEAUHAKA-DZGCQCFKSA-N	0	3	294.399	0.057	50	30		CCEAHN
C=CCNC(=O)[C@H](C)N(C)CCCn1cccn1	ZINC000244773968	131084349	/nfs/dbraw/zinc/08/43/49/131084349.db2.gz	PJMWDYDNIGNYPE-LBPRGKRZSA-N	0	3	250.346	0.896	50	30		CCEAHN
C#CCN(C)CCCNC(=O)[C@H]1CCCCC(=O)N1	ZINC000293933915	275380230	/nfs/dbraw/zinc/38/02/30/275380230.db2.gz	IDWOPUUQEYYOBI-GFCCVEGCSA-N	0	3	265.357	0.117	50	30		CCEAHN
C#CCN(C)CCCNC(=O)[C@@H]1CCCCC(=O)N1	ZINC000293933919	275380411	/nfs/dbraw/zinc/38/04/11/275380411.db2.gz	IDWOPUUQEYYOBI-LBPRGKRZSA-N	0	3	265.357	0.117	50	30		CCEAHN
C#CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000230080452	275382500	/nfs/dbraw/zinc/38/25/00/275382500.db2.gz	RXEVELHFPIIOQA-ZFWWWQNUSA-N	0	3	275.396	0.827	50	30		CCEAHN
C=CCn1cc(CNC[C@H](O)c2nccn2C)c(C)n1	ZINC000055109071	519281765	/nfs/dbraw/zinc/28/17/65/519281765.db2.gz	KNQDMADZIKNUBI-ZDUSSCGKSA-N	0	3	275.356	0.934	50	30		CCEAHN
CN(C)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@H]1CO	ZINC000253411090	352533752	/nfs/dbraw/zinc/53/37/52/352533752.db2.gz	OEFUCFZPSOGJHS-UONOGXRCSA-N	0	3	273.336	0.553	50	30		CCEAHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1	ZINC000217578539	351949083	/nfs/dbraw/zinc/94/90/83/351949083.db2.gz	MJTAYOHHSGPBHU-ZIAGYGMSSA-N	0	3	276.336	0.755	50	30		CCEAHN
CN1CCCN(CC(=O)N2CCC[C@@](C)(C#N)C2)CC1	ZINC000584904045	359244570	/nfs/dbraw/zinc/24/45/70/359244570.db2.gz	YKKYVODBLQQLRC-HNNXBMFYSA-N	0	3	278.400	0.776	50	30		CCEAHN
N#Cc1nccnc1N1CCN(c2ccncc2)C[C@H](O)C1	ZINC000225318505	189746722	/nfs/dbraw/zinc/74/67/22/189746722.db2.gz	UMSLWBJGNZLKRF-ZDUSSCGKSA-N	0	3	296.334	0.431	50	30		CCEAHN
CN1CC[C@@H]2OCCN(c3ncccc3C#N)[C@@H]2C1	ZINC000284618085	388780009	/nfs/dbraw/zinc/78/00/09/388780009.db2.gz	SOWXSKOZCHNQKZ-OLZOCXBDSA-N	0	3	258.325	0.863	50	30		CCEAHN
C=CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1	ZINC000070012203	388952814	/nfs/dbraw/zinc/95/28/14/388952814.db2.gz	CQQZJRSFZFRLNT-GFCCVEGCSA-N	0	3	255.362	0.925	50	30		CCEAHN
C#CCNC(=O)CCNC(=O)[C@@H](C)N1CCCCCC1	ZINC000095404172	349608127	/nfs/dbraw/zinc/60/81/27/349608127.db2.gz	QHHJSWFTNXPCOP-CYBMUJFWSA-N	0	3	279.384	0.507	50	30		CCEAHN
C=CCN(CC=C)C(=O)CN1CCC[C@H](C(N)=O)C1	ZINC000065528512	348720628	/nfs/dbraw/zinc/72/06/28/348720628.db2.gz	GVXUXPIGDNDNRS-LBPRGKRZSA-N	0	3	265.357	0.384	50	30		CCEAHN
N/N=C1\C2CN3CC1(c1ccccc1)CN(C2)CC3	ZINC000095346036	283261600	/nfs/dbraw/zinc/26/16/00/283261600.db2.gz	SIWFDSVOLOOOAZ-SAPNQHFASA-N	0	3	256.353	0.500	50	30		CCEAHN
N#Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)cc1	ZINC000003324497	279525534	/nfs/dbraw/zinc/52/55/34/279525534.db2.gz	NKHMZKVBAOIDOK-CQSZACIVSA-N	0	3	276.336	0.755	50	30		CCEAHN
N#Cc1cccc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n1	ZINC000670437986	545235069	/nfs/dbraw/zinc/23/50/69/545235069.db2.gz	QBEWUHKZCOCUSF-KBPBESRZSA-N	0	3	272.352	0.989	50	30		CCEAHN
N#Cc1cccnc1N1C[C@H](O)[C@@H](N2CCCCC2)C1	ZINC000670473413	545237644	/nfs/dbraw/zinc/23/76/44/545237644.db2.gz	PZLARNVIBZBFLR-KBPBESRZSA-N	0	3	272.352	0.989	50	30		CCEAHN
CN(C)[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@@H]1n1ccnn1	ZINC000685940183	545870896	/nfs/dbraw/zinc/87/08/96/545870896.db2.gz	NCLKOMYYILDYFX-CABCVRRESA-N	0	3	297.366	0.532	50	30		CCEAHN
CC[C@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)NO	ZINC000097575158	185628867	/nfs/dbraw/zinc/62/88/67/185628867.db2.gz	YVBCTSZNXLXLHE-LBPRGKRZSA-N	0	3	279.340	0.762	50	30		CCEAHN
C=CCN(CCO)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000085820229	179182887	/nfs/dbraw/zinc/18/28/87/179182887.db2.gz	VDFJKTBBMLCFNC-GFCCVEGCSA-N	0	3	276.402	0.138	50	30		CCEAHN
CN(CCO)C[C@H](O)COc1ccc(C#N)cc1	ZINC000037850366	348213452	/nfs/dbraw/zinc/21/34/52/348213452.db2.gz	XCWLHXRTSNSKPG-LBPRGKRZSA-N	0	3	250.298	0.222	50	30		CCEAHN
C=CCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1	ZINC000089893946	349411134	/nfs/dbraw/zinc/41/11/34/349411134.db2.gz	QCQIKBQUQFCIFZ-STQMWFEESA-N	0	3	272.414	0.804	50	30		CCEAHN
CNC(=O)C(C#N)Cc1ccc2c(c1)n(C)c(=O)n2C	ZINC000049544376	524091168	/nfs/dbraw/zinc/09/11/68/524091168.db2.gz	BYNAHCLWVNNJCR-JTQLQIEISA-N	0	3	272.308	0.305	50	30		CCEAHN
CN(C[C@@]1(C)CCN(C)C1)c1ncc(C#N)c(N)n1	ZINC000670473367	545237574	/nfs/dbraw/zinc/23/75/74/545237574.db2.gz	BCWQNYFFQISOPQ-ZDUSSCGKSA-N	0	3	260.345	0.539	50	30		CCEAHN
Cc1cc(C)nc(NC(=N)N2CCC(C(N)=O)CC2)n1	ZINC000004177277	347990292	/nfs/dbraw/zinc/99/02/92/347990292.db2.gz	ZKJZUIQIVLXSKN-UHFFFAOYSA-N	0	3	276.344	0.237	50	30		CCEAHN
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CCN1CC[C@@H]2[C@H](C1)OCCN2C(=O)CSCC#N	ZINC000242346890	285381512	/nfs/dbraw/zinc/38/15/12/285381512.db2.gz	ZJZAQXXXXFGIEC-NEPJUHHUSA-N	0	3	283.397	0.565	50	30		CCEAHN
C[NH+](C)CCCNC(=O)c1ccnc(/C=N/[O-])c1	ZINC000001777522	169757028	/nfs/dbraw/zinc/75/70/28/169757028.db2.gz	UMZOMTAYMKDMIW-OQLLNIDSSA-N	0	3	250.302	0.571	50	30		CCEAHN
N#Cc1ccc(NC(=O)CSc2nc(N)n[nH]2)cc1	ZINC000006414980	170199354	/nfs/dbraw/zinc/19/93/54/170199354.db2.gz	QUQBMMGGBXLSRT-UHFFFAOYSA-N	0	3	274.309	0.989	50	30		CCEAHN
N#Cc1cccc(C(=O)NCCN2CCC[C@@H](CO)C2)c1	ZINC000067458296	348775289	/nfs/dbraw/zinc/77/52/89/348775289.db2.gz	YDOTZBMAIMVRSJ-CQSZACIVSA-N	0	3	287.363	0.992	50	30		CCEAHN
N#Cc1ccc(CN2CCCN(CCC(N)=O)CC2)cc1	ZINC000025304004	388813603	/nfs/dbraw/zinc/81/36/03/388813603.db2.gz	QFWLNHHTFBZZKH-UHFFFAOYSA-N	0	3	286.379	0.941	50	30		CCEAHN
C#CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000241784847	389201915	/nfs/dbraw/zinc/20/19/15/389201915.db2.gz	RXEVELHFPIIOQA-DZGCQCFKSA-N	0	3	275.396	0.827	50	30		CCEAHN
CN(C)CCNC(=O)C(=O)Nc1ccccc1C#N	ZINC000005184042	170074487	/nfs/dbraw/zinc/07/44/87/170074487.db2.gz	VNGNNYMNCQEWEL-UHFFFAOYSA-N	0	3	260.297	0.175	50	30		CCEAHN
C=CCN1CC[C@H](CNC(=O)N(C)Cc2ncon2)C1	ZINC000670459155	545236452	/nfs/dbraw/zinc/23/64/52/545236452.db2.gz	QHAIXHFCDZENHW-LLVKDONJSA-N	0	3	279.344	0.719	50	30		CCEAHN
CN(C[C@]1(C)CCN(C)C1)c1ncc(C#N)c(N)n1	ZINC000670473366	545237273	/nfs/dbraw/zinc/23/72/73/545237273.db2.gz	BCWQNYFFQISOPQ-CYBMUJFWSA-N	0	3	260.345	0.539	50	30		CCEAHN
N#Cc1ccc(OCCCN2CCN(CCO)CC2)cc1	ZINC000036205501	348160922	/nfs/dbraw/zinc/16/09/22/348160922.db2.gz	HATDPCLBVJRUKO-UHFFFAOYSA-N	0	3	289.379	0.937	50	30		CCEAHN
N#Cc1cccc(CN2C[C@@H](CO)[C@H](C(=O)NC3CC3)C2)c1	ZINC000253397929	352532731	/nfs/dbraw/zinc/53/27/31/352532731.db2.gz	BSYNMHBLPKNURO-GOEBONIOSA-N	0	3	299.374	0.877	50	30		CCEAHN
CNC(=O)[C@@H]1CCN(Cc2cc(C#N)n(C)c2C)C1	ZINC000584887400	359226350	/nfs/dbraw/zinc/22/63/50/359226350.db2.gz	GVONMMGEVMBKPK-LLVKDONJSA-N	0	3	260.341	0.773	50	30		CCEAHN
C[NH+](C)CCCn1ccc2[n-]c(=O)c(C#N)cc2c1=O	ZINC000067881397	175799015	/nfs/dbraw/zinc/79/90/15/175799015.db2.gz	QAQAUJATIQUJAV-UHFFFAOYSA-N	0	3	272.308	0.513	50	30		CCEAHN
CN1CCO[C@@H](CNCCOc2ccc(C#N)cc2)C1	ZINC000072267909	176353578	/nfs/dbraw/zinc/35/35/78/176353578.db2.gz	JPAYREDUZAQYIT-HNNXBMFYSA-N	0	3	275.352	0.857	50	30		CCEAHN
N[C@@H]1CO[S@](=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013756018	295324121	/nfs/dbraw/zinc/32/41/21/295324121.db2.gz	YVIPBFMAZYCJJP-CGMALJKESA-N	0	3	258.255	0.589	50	30		CCEAHN
C#CCNC(=O)[C@H](C)N1CCC[C@H](Cc2nccn2C)C1	ZINC000090004160	349420193	/nfs/dbraw/zinc/42/01/93/349420193.db2.gz	SMSVIRGTQGPZKI-UONOGXRCSA-N	0	3	288.395	0.813	50	30		CCEAHN
CNC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1COC	ZINC000253395334	352532272	/nfs/dbraw/zinc/53/22/72/352532272.db2.gz	AJXLXRHZPCTBIY-LSDHHAIUSA-N	0	3	287.363	0.999	50	30		CCEAHN
COc1ccc(-n2nc(C#N)c(N3CCNCC3)n2)cc1	ZINC000025183578	388812412	/nfs/dbraw/zinc/81/24/12/388812412.db2.gz	IQCHAIMXUAKOKD-UHFFFAOYSA-N	0	3	284.323	0.557	50	30		CCEAHN
C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCN(C)C)C1	ZINC000011842828	388774951	/nfs/dbraw/zinc/77/49/51/388774951.db2.gz	BPCACBSJZAHIDW-CQSZACIVSA-N	0	3	293.411	0.987	50	30		CCEAHN
C#CCN1CCC(C(=O)NCCNc2ncccn2)CC1	ZINC000057170417	388932361	/nfs/dbraw/zinc/93/23/61/388932361.db2.gz	SROWWPXDNWKBMP-UHFFFAOYSA-N	0	3	287.367	0.350	50	30		CCEAHN
C=CCNCc1cccc(OC)c1OCC(N)=O	ZINC000006746378	170239185	/nfs/dbraw/zinc/23/91/85/170239185.db2.gz	FVNKOYKNZYHFJA-UHFFFAOYSA-N	0	3	250.298	0.835	50	30		CCEAHN
NC(=N[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1	ZINC000020522463	171235753	/nfs/dbraw/zinc/23/57/53/171235753.db2.gz	YMEJYOFKDFXWRM-UHFFFAOYSA-N	0	3	277.328	0.747	50	30		CCEAHN
OCC#Cc1ccc(CN2CC[C@@H](CO)C2)s1	ZINC000162732472	544711992	/nfs/dbraw/zinc/71/19/92/544711992.db2.gz	LAGQESCLHZYUQV-LLVKDONJSA-N	0	3	251.351	0.906	50	30		CCEAHN
CN(C)[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1CO	ZINC000257188830	352551338	/nfs/dbraw/zinc/55/13/38/352551338.db2.gz	GNUPRZSXAWTBTM-LSDHHAIUSA-N	0	3	259.353	0.913	50	30		CCEAHN
N#Cc1cnc(NC[C@@H]2CCN(C3CC3)C2)nc1N	ZINC000584886221	359224963	/nfs/dbraw/zinc/22/49/63/359224963.db2.gz	VDXKMJUCSUXOPD-VIFPVBQESA-N	0	3	258.329	0.079	50	30		CCEAHN
CN(CC#CCN(C)[C@@H]1CCOC1)[C@@H]1CCOC1	ZINC000240551627	131079644	/nfs/dbraw/zinc/07/96/44/131079644.db2.gz	GUYPDAQYHQFPHL-ZIAGYGMSSA-N	0	3	252.358	0.431	50	30		CCEAHN
C#CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1	ZINC000328586701	260691585	/nfs/dbraw/zinc/69/15/85/260691585.db2.gz	LXQHDOBPGBVFMZ-KGLIPLIRSA-N	0	3	278.400	0.491	50	30		CCEAHN
C=CCN1CCC[C@H]1C(=O)NCC1(O)CCN(C)CC1	ZINC000670462972	545236579	/nfs/dbraw/zinc/23/65/79/545236579.db2.gz	PBHADBYCZRGOII-ZDUSSCGKSA-N	0	3	281.400	0.210	50	30		CCEAHN
C#CCN1CCC(N[C@@H](C)c2nncn2CCOC)CC1	ZINC000952987522	613138629	/nfs/dbraw/zinc/13/86/29/613138629.db2.gz	IGLJUGFUKKYJLX-ZDUSSCGKSA-N	0	3	291.399	0.673	50	30		CCEAHN
Cc1nnc(N2CCO[C@H](CN(C)C)C2)c(C#N)c1C	ZINC000069737510	282321956	/nfs/dbraw/zinc/32/19/56/282321956.db2.gz	IGDUHLKFNJNFJP-GFCCVEGCSA-N	0	3	275.356	0.732	50	30		CCEAHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](O)C2)cc1	ZINC000042258335	348271149	/nfs/dbraw/zinc/27/11/49/348271149.db2.gz	MJTAYOHHSGPBHU-KBPBESRZSA-N	0	3	276.336	0.755	50	30		CCEAHN
C#CCCNC(=O)N[C@@H]1CCCN(CCOC)C1	ZINC000072282565	348918692	/nfs/dbraw/zinc/91/86/92/348918692.db2.gz	BXXQLOXTEACZSH-GFCCVEGCSA-N	0	3	253.346	0.420	50	30		CCEAHN
C=CC[C@]1(C(=O)NCCCc2cc(=O)[nH][n-]2)CCC[NH2+]1	ZINC000585136485	359251859	/nfs/dbraw/zinc/25/18/59/359251859.db2.gz	IAKUBJDBLUZSQO-CQSZACIVSA-N	0	3	278.356	0.862	50	30		CCEAHN
CN1CCC(C)(C(=O)N2CCn3nc(C#N)cc3C2)CC1	ZINC000426719927	389678027	/nfs/dbraw/zinc/67/80/27/389678027.db2.gz	NBLVELAMDRCVJP-UHFFFAOYSA-N	0	3	287.367	0.829	50	30		CCEAHN
CN(C)C[C@@H]1COCCN1C(=O)c1cccc(C#N)c1	ZINC000085470191	289203471	/nfs/dbraw/zinc/20/34/71/289203471.db2.gz	VKSYDSPVEIRRPO-CQSZACIVSA-N	0	3	273.336	0.961	50	30		CCEAHN
Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1CCO	ZINC000016757348	348051080	/nfs/dbraw/zinc/05/10/80/348051080.db2.gz	VMUMYQRDFLQBIX-UHFFFAOYSA-N	0	3	258.281	0.067	50	30		CCEAHN
C#CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2nccn2C)C1	ZINC000230192307	352107051	/nfs/dbraw/zinc/10/70/51/352107051.db2.gz	SMSVIRGTQGPZKI-KBPBESRZSA-N	0	3	288.395	0.813	50	30		CCEAHN
C=CCC[C@H](O)CN1CCC[C@H]1C(=O)N1CCOCC1	ZINC000252511051	352518255	/nfs/dbraw/zinc/51/82/55/352518255.db2.gz	DNHFBLBUBIXQQS-KBPBESRZSA-N	0	3	282.384	0.637	50	30		CCEAHN
N#Cc1cnc(NCCN2CCC[C@@H](CO)C2)nc1N	ZINC000670459748	545236747	/nfs/dbraw/zinc/23/67/47/545236747.db2.gz	KMJUATRNLLSJGU-SNVBAGLBSA-N	0	3	276.344	0.047	50	30		CCEAHN
CN1CCN(c2ccc(C#N)cn2)C[C@@]12CCNC(=O)CC2	ZINC000107409037	349737204	/nfs/dbraw/zinc/73/72/04/349737204.db2.gz	BBYGBQKUAGHGCW-MRXNPFEDSA-N	0	3	299.378	0.744	50	30		CCEAHN
C#CCN1CCC(C(=O)NCCN(C)C2CC2)CC1	ZINC000065443658	348716436	/nfs/dbraw/zinc/71/64/36/348716436.db2.gz	NDBQXDZXXFSSLF-UHFFFAOYSA-N	0	3	263.385	0.542	50	30		CCEAHN
CC#CCN1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1	ZINC000076055646	349066443	/nfs/dbraw/zinc/06/64/43/349066443.db2.gz	ARSDMNRBUCZIJR-DZGCQCFKSA-N	0	3	263.385	0.494	50	30		CCEAHN
N#CC1(NC(=O)CN[C@H]2CCc3ncnn3C2)CCCC1	ZINC000089885496	349409985	/nfs/dbraw/zinc/40/99/85/349409985.db2.gz	YPIYIOGJIPRJJQ-NSHDSACASA-N	0	3	288.355	0.135	50	30		CCEAHN
CN(C)C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCO1	ZINC000106785921	186135636	/nfs/dbraw/zinc/13/56/36/186135636.db2.gz	AMWSCZBILMJSAB-CHWSQXEVSA-N	0	3	250.346	0.692	50	30		CCEAHN
CN(C)CCNc1c(C#N)c2c(c3nncn31)CN(C)CC2	ZINC000013721884	388787301	/nfs/dbraw/zinc/78/73/01/388787301.db2.gz	RZNOIUOSLCULHT-UHFFFAOYSA-N	0	3	299.382	0.562	50	30		CCEAHN
CC(C)(C(=O)N1CCn2nc(C#N)cc2C1)N1CCCC1	ZINC000426647050	812967066	/nfs/dbraw/zinc/96/70/66/812967066.db2.gz	JJTYDQIXIOWFQJ-UHFFFAOYSA-N	0	3	287.367	0.971	50	30		CCEAHN
N#Cc1c[nH]c(C(=O)NCc2cc3n(n2)CCCNC3)c1	ZINC000097784706	349647961	/nfs/dbraw/zinc/64/79/61/349647961.db2.gz	GLSLATHAJBECEG-UHFFFAOYSA-N	0	3	284.323	0.506	50	30		CCEAHN
C[N+](C)(C)CCCNC(=O)c1ccc(/C=N\[O-])nc1	ZINC000015961233	348043333	/nfs/dbraw/zinc/04/33/33/348043333.db2.gz	AXXFDAWSYBGKHT-UHFFFAOYSA-O	0	3	265.337	0.716	50	30		CCEAHN
N#Cc1cccc(C(=O)NCCN2CCC[C@H](CO)C2)c1	ZINC000067458292	348775267	/nfs/dbraw/zinc/77/52/67/348775267.db2.gz	YDOTZBMAIMVRSJ-AWEZNQCLSA-N	0	3	287.363	0.992	50	30		CCEAHN
Cc1cc(NCCO)nc(N2CCNCC2)c1C#N	ZINC000071283755	348907429	/nfs/dbraw/zinc/90/74/29/348907429.db2.gz	MSJCZXIPWZGOBB-UHFFFAOYSA-N	0	3	261.329	0.076	50	30		CCEAHN
CNC(=O)[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1COC	ZINC000257185632	352550214	/nfs/dbraw/zinc/55/02/14/352550214.db2.gz	JSANOKLLQCLUBO-LSDHHAIUSA-N	0	3	287.363	0.999	50	30		CCEAHN
COc1ccc(C=NNC(=N)N)c(OC)c1OC	ZINC000252447966	352514963	/nfs/dbraw/zinc/51/49/63/352514963.db2.gz	QSZMERLTJWQUNP-UHFFFAOYSA-N	0	3	252.274	0.529	50	30		CCEAHN
N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CNCC2	ZINC000072162758	176330403	/nfs/dbraw/zinc/33/04/03/176330403.db2.gz	BGTVCUGMOPJQPT-UHFFFAOYSA-N	0	3	270.292	0.933	50	30		CCEAHN
Cc1[nH]c(CN2CC[C@@]3(CC(=O)NC3=O)C2)cc1C#N	ZINC000082098510	349291342	/nfs/dbraw/zinc/29/13/42/349291342.db2.gz	OASLDEBKYXELCV-CQSZACIVSA-N	0	3	272.308	0.433	50	30		CCEAHN
N#Cc1ccc(OCCN2CCC[C@](O)(C(N)=O)C2)cc1	ZINC000286184145	353567348	/nfs/dbraw/zinc/56/73/48/353567348.db2.gz	NCEFHEHSAZTKMS-OAHLLOKOSA-N	0	3	289.335	0.249	50	30		CCEAHN
C=CCn1cc(C[NH2+]CCCc2nnn[n-]2)c(C)n1	ZINC000055369523	388931246	/nfs/dbraw/zinc/93/12/46/388931246.db2.gz	WJYJYCALWHRHKB-UHFFFAOYSA-N	0	3	261.333	0.613	50	30		CCEAHN
OCC#Cc1ccc(CN2CC[C@H](CO)C2)s1	ZINC000162732347	544712634	/nfs/dbraw/zinc/71/26/34/544712634.db2.gz	LAGQESCLHZYUQV-NSHDSACASA-N	0	3	251.351	0.906	50	30		CCEAHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](O)C2)cc1	ZINC000042258332	348271567	/nfs/dbraw/zinc/27/15/67/348271567.db2.gz	MJTAYOHHSGPBHU-UONOGXRCSA-N	0	3	276.336	0.755	50	30		CCEAHN
C=C(C)CN(CC)C(=O)CNC[C@H]1CN(C)CCO1	ZINC000069599184	348854570	/nfs/dbraw/zinc/85/45/70/348854570.db2.gz	PLIYRIFYMHAJEM-ZDUSSCGKSA-N	0	3	269.389	0.331	50	30		CCEAHN
CCN1CCC[C@@H]1CNS(=O)(=O)CCCC#N	ZINC000097102330	389067280	/nfs/dbraw/zinc/06/72/80/389067280.db2.gz	KYIRLUKSVDQRLM-LLVKDONJSA-N	0	3	259.375	0.694	50	30		CCEAHN
CCOC(=O)c1cc(C#N)c(C)nc1N1CCNCC1	ZINC000000066372	134517906	/nfs/dbraw/zinc/51/79/06/134517906.db2.gz	GJWLMJKBRLNVMS-UHFFFAOYSA-N	0	3	274.324	0.848	50	30		CCEAHN
CN1CCO[C@@H](CNCCOc2cccc(C#N)c2)C1	ZINC000071879296	176287248	/nfs/dbraw/zinc/28/72/48/176287248.db2.gz	GWZAAWIPKCNWHM-HNNXBMFYSA-N	0	3	275.352	0.857	50	30		CCEAHN
C=C(C)CN(CC)C(=O)[C@H](C)NC[C@H]1CN(C)CCO1	ZINC000069517880	518595046	/nfs/dbraw/zinc/59/50/46/518595046.db2.gz	GRJUQNVWIASDNG-KBPBESRZSA-N	0	3	283.416	0.720	50	30		CCEAHN
[NH2+]=C(NCCCN1CCOCC1)NCc1ccccc1[O-]	ZINC000071847229	348911874	/nfs/dbraw/zinc/91/18/74/348911874.db2.gz	KPOHBAOXSLRBOS-UHFFFAOYSA-N	0	3	292.383	0.519	50	30		CCEAHN
N#Cc1cnc(NC[C@H]2CCN(C3CC3)C2)nc1N	ZINC000584886220	359225143	/nfs/dbraw/zinc/22/51/43/359225143.db2.gz	VDXKMJUCSUXOPD-SECBINFHSA-N	0	3	258.329	0.079	50	30		CCEAHN
CN1CCC(OCCCNc2ncc(C#N)c(N)n2)CC1	ZINC000584902721	359243115	/nfs/dbraw/zinc/24/31/15/359243115.db2.gz	YVPYFNVIEXMLFI-UHFFFAOYSA-N	0	3	290.371	0.096	50	30		CCEAHN
C=CCNC(=S)N[C@H]1C2CN3CC1(CC)CN(C2)CC3	ZINC000019360076	388792413	/nfs/dbraw/zinc/79/24/13/388792413.db2.gz	VAYJNCIXKZWDMY-OWYJLGKBSA-N	0	3	294.468	0.663	50	30		CCEAHN
CN(CC#CCN(C)[C@H]1CCOC1)[C@H]1CCOC1	ZINC000240551625	131079513	/nfs/dbraw/zinc/07/95/13/131079513.db2.gz	GUYPDAQYHQFPHL-KBPBESRZSA-N	0	3	252.358	0.431	50	30		CCEAHN
C=CCNCc1cc(=O)c2cc(C(N)=O)ccc2[nH]1	ZINC000077427297	177265630	/nfs/dbraw/zinc/26/56/30/177265630.db2.gz	PPQOPVTZSBNQAO-UHFFFAOYSA-N	0	3	257.293	0.903	50	30		CCEAHN
N#Cc1cnc(NCCN2CCC[C@H](CO)C2)nc1N	ZINC000670459747	545236789	/nfs/dbraw/zinc/23/67/89/545236789.db2.gz	KMJUATRNLLSJGU-JTQLQIEISA-N	0	3	276.344	0.047	50	30		CCEAHN
C#CCN1CCC(N[C@H](C)c2nncn2CCOC)CC1	ZINC000952987518	613138558	/nfs/dbraw/zinc/13/85/58/613138558.db2.gz	IGLJUGFUKKYJLX-CYBMUJFWSA-N	0	3	291.399	0.673	50	30		CCEAHN
C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(C(=O)OC)C1	ZINC000097082968	349626926	/nfs/dbraw/zinc/62/69/26/349626926.db2.gz	WTMINQOMJNZECR-FZMZJTMJSA-N	0	3	266.341	0.564	50	30		CCEAHN
CN1CCN(c2ccc(C#N)cn2)C[C@]12CCNC(=O)CC2	ZINC000091643301	135072218	/nfs/dbraw/zinc/07/22/18/135072218.db2.gz	BBYGBQKUAGHGCW-INIZCTEOSA-N	0	3	299.378	0.744	50	30		CCEAHN
C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1	ZINC000069517875	518595647	/nfs/dbraw/zinc/59/56/47/518595647.db2.gz	GRJUQNVWIASDNG-ZIAGYGMSSA-N	0	3	283.416	0.720	50	30		CCEAHN
CN1CCCCC[C@H]1C(=O)N1CCn2nc(C#N)cc2C1	ZINC000670445331	545235681	/nfs/dbraw/zinc/23/56/81/545235681.db2.gz	OWHUGUKSVRMSIJ-AWEZNQCLSA-N	0	3	287.367	0.971	50	30		CCEAHN
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000014253608	348035763	/nfs/dbraw/zinc/03/57/63/348035763.db2.gz	FTSCEGKYKXESFF-LXTVHRRPSA-N	0	3	289.416	0.496	50	30	in-vivo	CCEAHN
C#CCN1CCC(C(=O)N[C@@H]2CCCN(CC)C2)CC1	ZINC000065591951	348723002	/nfs/dbraw/zinc/72/30/02/348723002.db2.gz	FNTNQSJRULLCGO-OAHLLOKOSA-N	0	3	277.412	0.932	50	30		CCEAHN
Cc1c(CNCCC(=O)N2CCOCC2)cc(C#N)n1C	ZINC000132160284	350298890	/nfs/dbraw/zinc/29/88/90/350298890.db2.gz	FJNOLUOCGZPUQU-UHFFFAOYSA-N	0	3	290.367	0.544	50	30		CCEAHN
OCCC#Cc1ccc(CN2CCC[C@@](O)(CO)C2)cc1	ZINC000216340086	351941275	/nfs/dbraw/zinc/94/12/75/351941275.db2.gz	WCGSFOPZNMYZGI-KRWDZBQOSA-N	0	3	289.375	0.740	50	30		CCEAHN
N#Cc1c[nH]c(C(=O)NCCN2CCC[C@@H](CO)C2)c1	ZINC000299780306	354051259	/nfs/dbraw/zinc/05/12/59/354051259.db2.gz	RYIJSRFYEZTCGA-LLVKDONJSA-N	0	3	276.340	0.320	50	30		CCEAHN
C=CCn1cc(CNCCSc2nnnn2C)c(C)n1	ZINC000055154100	388931626	/nfs/dbraw/zinc/93/16/26/388931626.db2.gz	WUNCCNBYCYSJJL-UHFFFAOYSA-N	0	3	293.400	0.783	50	30		CCEAHN
CN1CCN2CCN(Cc3ccc(C#CCO)cc3)C[C@H]2C1	ZINC000106268552	389090851	/nfs/dbraw/zinc/09/08/51/389090851.db2.gz	RITVIPKADGXOHY-GOSISDBHSA-N	0	3	299.418	0.462	50	30		CCEAHN
C=C(C)CN(CC)C(=O)[C@H](C)NC[C@@H]1CN(C)CCO1	ZINC000069517876	518595554	/nfs/dbraw/zinc/59/55/54/518595554.db2.gz	GRJUQNVWIASDNG-UONOGXRCSA-N	0	3	283.416	0.720	50	30		CCEAHN
C[C@H](Cn1cccn1)NCC(=O)N[C@](C)(C#N)C1CC1	ZINC000069438661	524775950	/nfs/dbraw/zinc/77/59/50/524775950.db2.gz	PTNFYVBQXPQRIQ-BXUZGUMPSA-N	0	3	275.356	0.670	50	30		CCEAHN
N#Cc1cnc(NCCCN2CCC[C@H](CO)C2)nc1N	ZINC000670452901	545235998	/nfs/dbraw/zinc/23/59/98/545235998.db2.gz	HLLGVAFHUNRUKN-NSHDSACASA-N	0	3	290.371	0.437	50	30		CCEAHN
N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1	ZINC000195530684	351918631	/nfs/dbraw/zinc/91/86/31/351918631.db2.gz	DBYSCSVITOBSML-CABCVRRESA-N	0	3	290.363	0.949	50	30		CCEAHN
CN(CC#CCN(C)[C@H]1CCOC1)[C@@H]1CCOC1	ZINC000240551626	131079562	/nfs/dbraw/zinc/07/95/62/131079562.db2.gz	GUYPDAQYHQFPHL-OKILXGFUSA-N	0	3	252.358	0.431	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC(=O)N(CC2CC2)C1	ZINC000100828049	397402182	/nfs/dbraw/zinc/40/21/82/397402182.db2.gz	XPOSXHVZLOPCNT-RYUDHWBXSA-N	0	3	291.351	0.478	50	30		CCEAHN
N#Cc1ncn(C[C@@H](O)CN2CCc3ccccc3C2)n1	ZINC000095438898	349610925	/nfs/dbraw/zinc/61/09/25/349610925.db2.gz	MFTAPEOSMMOSKG-AWEZNQCLSA-N	0	3	283.335	0.569	50	30		CCEAHN
Cc1nnc(NC(=O)C(=O)NCCN(C)C)s1	ZINC000019891255	348073152	/nfs/dbraw/zinc/07/31/52/348073152.db2.gz	WHKWRYBYKGBXTG-UHFFFAOYSA-N	0	3	257.319	0.112	50	30		CCEAHN
Cc1cnn(CCNCC(=O)N[C@](C)(C#N)C2CC2)c1	ZINC000072253065	348916826	/nfs/dbraw/zinc/91/68/26/348916826.db2.gz	FVSCSLUTFMUXOY-CQSZACIVSA-N	0	3	275.356	0.590	50	30		CCEAHN
CN1C(=O)[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2C1=O	ZINC000257183223	352549180	/nfs/dbraw/zinc/54/91/80/352549180.db2.gz	QZOFIAFVZROSOK-BETUJISGSA-N	0	3	269.304	0.605	50	30		CCEAHN
CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H](CN(C)C)C1	ZINC000229536896	389156434	/nfs/dbraw/zinc/15/64/34/389156434.db2.gz	WVVKWTGLXDMYLN-ZFWWWQNUSA-N	0	3	296.415	0.303	50	30		CCEAHN
CN(C)C[C@H]1CN(C(=O)NCCc2ccco2)CCO1	ZINC000330823172	264047914	/nfs/dbraw/zinc/04/79/14/264047914.db2.gz	GQFOQUBICWFJQL-ZDUSSCGKSA-N	0	3	281.356	0.999	50	30		CCEAHN
N#CC1(NC(=O)CNCCn2cccn2)CCCCC1	ZINC000072267822	526435013	/nfs/dbraw/zinc/43/50/13/526435013.db2.gz	UFSKJJDGORBPLG-UHFFFAOYSA-N	0	3	275.356	0.815	50	30		CCEAHN
CN(C)[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1CO	ZINC000253398297	352533113	/nfs/dbraw/zinc/53/31/13/352533113.db2.gz	CAVVTNKGMRLDNH-LSDHHAIUSA-N	0	3	259.353	0.913	50	30		CCEAHN
C#CCN(C)CCCNC(=O)c1ccc(C(N)=O)cc1	ZINC000294123278	353871122	/nfs/dbraw/zinc/87/11/22/353871122.db2.gz	ZXQXGKYPMQRRLZ-UHFFFAOYSA-N	0	3	273.336	0.470	50	30		CCEAHN
COCCN1CC[C@@H](CN(C)C(=O)c2cc(C#N)c[nH]2)C1	ZINC000584890613	359230198	/nfs/dbraw/zinc/23/01/98/359230198.db2.gz	ZOKBUYRPPHXRHM-LBPRGKRZSA-N	0	3	290.367	0.927	50	30		CCEAHN
C[C@]1(O)CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1O	ZINC000096150495	389045777	/nfs/dbraw/zinc/04/57/77/389045777.db2.gz	MIWNOXIMBNJOJN-IRXDYDNUSA-N	0	3	289.375	0.738	50	30		CCEAHN
C#CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1	ZINC000328586700	389128584	/nfs/dbraw/zinc/12/85/84/389128584.db2.gz	LXQHDOBPGBVFMZ-KBPBESRZSA-N	0	3	278.400	0.491	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)CN1CCCCCC1=O	ZINC000100828064	397402206	/nfs/dbraw/zinc/40/22/06/397402206.db2.gz	QFTSTNFUVYAAJQ-LLVKDONJSA-N	0	3	279.340	0.622	50	30		CCEAHN
C#CCN1CCC(N(C)CC(=O)NC(C)C)CC1	ZINC000089885232	349410421	/nfs/dbraw/zinc/41/04/21/349410421.db2.gz	ZJJZPKAIBUNCDB-UHFFFAOYSA-N	0	3	251.374	0.540	50	30		CCEAHN
C=CC[C@@]1(CO)CCCN(CCN2CCOCC2)C1	ZINC000092046370	180311219	/nfs/dbraw/zinc/31/12/19/180311219.db2.gz	XZUHRXJPCUGPCF-OAHLLOKOSA-N	0	3	268.401	0.969	50	30		CCEAHN
C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)N(C)CCC#N	ZINC000071879141	277595109	/nfs/dbraw/zinc/59/51/09/277595109.db2.gz	HGDZWQMSEYTFTP-RYUDHWBXSA-N	0	3	263.345	0.622	50	30		CCEAHN
Cc1cc(C)nc(NC(=N)NCCCN2CCCC2=O)n1	ZINC000019874726	326858019	/nfs/dbraw/zinc/85/80/19/326858019.db2.gz	YEKUBAULVZHLOI-UHFFFAOYSA-N	0	3	290.371	0.642	50	30		CCEAHN
C#CCN1CCC(C(=O)NCCNC(=O)C(C)C)CC1	ZINC000065415624	518267828	/nfs/dbraw/zinc/26/78/28/518267828.db2.gz	AQSWKPDMNXKAOM-UHFFFAOYSA-N	0	3	279.384	0.220	50	30		CCEAHN
CCCS(=O)(=O)C(C)C(=O)NC1=NCCS1	ZINC000055126898	520543736	/nfs/dbraw/zinc/54/37/36/520543736.db2.gz	FAQPUKQCJCCTBJ-SSDOTTSWSA-N	0	3	264.372	0.419	50	30		CCEAHN
Cn1cc(C#N)cc1C(=O)N1[C@@H]2CC[C@H]1CNCC2	ZINC000097243834	349635980	/nfs/dbraw/zinc/63/59/80/349635980.db2.gz	GZWGGJPXKHOKRM-NEPJUHHUSA-N	0	3	258.325	0.863	50	30		CCEAHN
CC(C)Cn1c(/N=C2\CCCN2)cc(=O)n(C)c1=O	ZINC000003394377	347981874	/nfs/dbraw/zinc/98/18/74/347981874.db2.gz	GEYGGEPYNCEXOR-UHFFFAOYSA-N	0	3	264.329	0.616	50	30		CCEAHN
CN(CCO)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000037850367	348213128	/nfs/dbraw/zinc/21/31/28/348213128.db2.gz	XCWLHXRTSNSKPG-GFCCVEGCSA-N	0	3	250.298	0.222	50	30		CCEAHN
CN(C)[C@@H]1C[C@@H](CO)N(Cc2cc(C#CCO)cs2)C1	ZINC000065417113	348715664	/nfs/dbraw/zinc/71/56/64/348715664.db2.gz	OPDJWJOAVQABDH-KGLIPLIRSA-N	0	3	294.420	0.589	50	30		CCEAHN
CN1CCCN(CC(=O)N2CCC[C@](C)(C#N)C2)CC1	ZINC000584904056	359244499	/nfs/dbraw/zinc/24/44/99/359244499.db2.gz	YKKYVODBLQQLRC-OAHLLOKOSA-N	0	3	278.400	0.776	50	30		CCEAHN
CN1CCN(c2cccc(C#N)n2)C[C@]12CCNC(=O)CC2	ZINC000092028360	135075304	/nfs/dbraw/zinc/07/53/04/135075304.db2.gz	PKABMPQPMSNSTR-INIZCTEOSA-N	0	3	299.378	0.744	50	30		CCEAHN
Cc1cccc(S(=O)(=O)N[C@H]2CCCNC2)c1C#N	ZINC000193353324	292575867	/nfs/dbraw/zinc/57/58/67/292575867.db2.gz	FRVJREYUKOVUTK-NSHDSACASA-N	0	3	279.365	0.897	50	30		CCEAHN
CN(C)C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCO1	ZINC000069951256	260151183	/nfs/dbraw/zinc/15/11/83/260151183.db2.gz	HNHYFNKEAUHAKA-UKRRQHHQSA-N	0	3	294.399	0.057	50	30		CCEAHN
CCCS(=O)(=O)C(C)C(=O)NC1=NCCS1	ZINC000055126896	520543444	/nfs/dbraw/zinc/54/34/44/520543444.db2.gz	FAQPUKQCJCCTBJ-ZETCQYMHSA-N	0	3	264.372	0.419	50	30		CCEAHN
N#Cc1ccnc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c1	ZINC000670448986	545235739	/nfs/dbraw/zinc/23/57/39/545235739.db2.gz	GGQVJLLICOGQDC-STQMWFEESA-N	0	3	258.325	0.599	50	30		CCEAHN
N#CCCNC(=O)CN1CCN(C2CCCC2)CC1	ZINC000027119805	348096859	/nfs/dbraw/zinc/09/68/59/348096859.db2.gz	MDJVDYSJBZMDRJ-UHFFFAOYSA-N	0	3	264.373	0.576	50	30		CCEAHN
Cc1cc(C#N)ccc1S(=O)(=O)N1CCCNCC1	ZINC000227923280	280316633	/nfs/dbraw/zinc/31/66/33/280316633.db2.gz	XPJSPICNSPCNNG-UHFFFAOYSA-N	0	3	279.365	0.851	50	30		CCEAHN
C=CCNC(=O)NC(=O)CN(C[C@H]1CCOC1)C1CC1	ZINC000036396631	348166855	/nfs/dbraw/zinc/16/68/55/348166855.db2.gz	YUBVIROAAWKOKJ-LLVKDONJSA-N	0	3	281.356	0.499	50	30		CCEAHN
CN(C)CC#CCNS(=O)(=O)c1ccccc1F	ZINC000075164375	349025884	/nfs/dbraw/zinc/02/58/84/349025884.db2.gz	TZAUHPUFVOIMIE-UHFFFAOYSA-N	0	3	270.329	0.669	50	30		CCEAHN
Cc1[nH]c(CN2CC[C@]3(CC(=O)NC3=O)C2)cc1C#N	ZINC000082098509	349291316	/nfs/dbraw/zinc/29/13/16/349291316.db2.gz	OASLDEBKYXELCV-AWEZNQCLSA-N	0	3	272.308	0.433	50	30		CCEAHN
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c(F)c1	ZINC000237716101	352279911	/nfs/dbraw/zinc/27/99/11/352279911.db2.gz	FASKVBIJKCWFAJ-NSHDSACASA-N	0	3	297.355	0.975	50	30		CCEAHN
CCCN1CCC(=NNC(=S)NCCOC)CC1	ZINC000023741412	388805194	/nfs/dbraw/zinc/80/51/94/388805194.db2.gz	PDHDZPPDZKOFSJ-UHFFFAOYSA-N	0	3	272.418	0.959	50	30		CCEAHN
C=CCCC(=O)N1CCO[C@]2(C1)CNCCOC2	ZINC000072161681	388960144	/nfs/dbraw/zinc/96/01/44/388960144.db2.gz	LSLZYQSRFMCWNJ-ZDUSSCGKSA-N	0	3	254.330	0.170	50	30		CCEAHN
OCC#Cc1csc(CN2CC[C@H](CO)C2)c1	ZINC000162732948	544711483	/nfs/dbraw/zinc/71/14/83/544711483.db2.gz	GPIGLVHJRJBDTG-LBPRGKRZSA-N	0	3	251.351	0.906	50	30		CCEAHN
CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CSCC#N	ZINC000242346893	352306621	/nfs/dbraw/zinc/30/66/21/352306621.db2.gz	ZJZAQXXXXFGIEC-VXGBXAGGSA-N	0	3	283.397	0.565	50	30		CCEAHN
CCN1CC[C@H]2[C@H](C1)OCCN2C(=O)CSCC#N	ZINC000242346892	352307176	/nfs/dbraw/zinc/30/71/76/352307176.db2.gz	ZJZAQXXXXFGIEC-RYUDHWBXSA-N	0	3	283.397	0.565	50	30		CCEAHN
COc1cc(C=NNC(=N)N)cc(Br)c1O	ZINC000252448324	352514783	/nfs/dbraw/zinc/51/47/83/352514783.db2.gz	VIEFBTAUYQZWRI-UHFFFAOYSA-N	0	3	287.117	0.980	50	30		CCEAHN
C=CCC[C@@H](O)CN1CCC[C@H]1C(=O)N1CCOCC1	ZINC000252511052	352518614	/nfs/dbraw/zinc/51/86/14/352518614.db2.gz	DNHFBLBUBIXQQS-KGLIPLIRSA-N	0	3	282.384	0.637	50	30		CCEAHN
N#Cc1ccnc(NCCCN2CCC(O)CC2)c1	ZINC000596085051	360790845	/nfs/dbraw/zinc/79/08/45/360790845.db2.gz	GVRDQMMDQUCGOG-UHFFFAOYSA-N	0	3	260.341	0.634	50	30		CCEAHN
C#CCN1CCN(C(=O)CN2CCC[C@H]2CCCO)CC1	ZINC000096451998	389061749	/nfs/dbraw/zinc/06/17/49/389061749.db2.gz	MRIXAWJKZFYPTC-HNNXBMFYSA-N	0	3	293.411	0.001	50	30		CCEAHN
C#CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1	ZINC000071890064	176291088	/nfs/dbraw/zinc/29/10/88/176291088.db2.gz	QCEFJGWOZRZOFA-GFCCVEGCSA-N	0	3	253.346	0.012	50	30		CCEAHN
CN1CCO[C@H](CNCCOc2ccc(C#N)cc2)C1	ZINC000072267908	176353215	/nfs/dbraw/zinc/35/32/15/176353215.db2.gz	JPAYREDUZAQYIT-OAHLLOKOSA-N	0	3	275.352	0.857	50	30		CCEAHN
C#CCN1CCC(C(=O)Nc2ccc[nH]c2=O)CC1	ZINC000095958500	185043904	/nfs/dbraw/zinc/04/39/04/185043904.db2.gz	PLJJSMJIFKWBOH-UHFFFAOYSA-N	0	3	259.309	0.659	50	30		CCEAHN
C=CCC[C@@H](O)CN1CCC[C@@H]1C(=O)N1CCOCC1	ZINC000095966179	185045562	/nfs/dbraw/zinc/04/55/62/185045562.db2.gz	DNHFBLBUBIXQQS-ZIAGYGMSSA-N	0	3	282.384	0.637	50	30		CCEAHN
C=CCNC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)OC)C1	ZINC000097082967	349627182	/nfs/dbraw/zinc/62/71/82/349627182.db2.gz	WTMINQOMJNZECR-SMDDNHRTSA-N	0	3	266.341	0.564	50	30		CCEAHN
CC[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)NO	ZINC000097575159	349643262	/nfs/dbraw/zinc/64/32/62/349643262.db2.gz	YVBCTSZNXLXLHE-GFCCVEGCSA-N	0	3	279.340	0.762	50	30		CCEAHN
C[N+](C)(C)CCNC(=O)c1ccc(/C=N/[O-])nc1	ZINC000000307006	347944207	/nfs/dbraw/zinc/94/42/07/347944207.db2.gz	BNNONIORDOSGGH-UHFFFAOYSA-O	0	3	251.310	0.326	50	30		CCEAHN
C=CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1	ZINC000070012198	388952444	/nfs/dbraw/zinc/95/24/44/388952444.db2.gz	CQQZJRSFZFRLNT-LBPRGKRZSA-N	0	3	255.362	0.925	50	30		CCEAHN
C=CCNC(=O)[C@@H](C)N(C)CCCn1cccn1	ZINC000244773967	131084185	/nfs/dbraw/zinc/08/41/85/131084185.db2.gz	PJMWDYDNIGNYPE-GFCCVEGCSA-N	0	3	250.346	0.896	50	30		CCEAHN
N#CCCNC(=O)CN(C[C@@H]1CCOC1)C1CC1	ZINC000040105893	174191087	/nfs/dbraw/zinc/19/10/87/174191087.db2.gz	DFNHSZUMNCILGO-NSHDSACASA-N	0	3	251.330	0.517	50	30		CCEAHN
Cc1ccc(C#N)nc1N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1	ZINC000685940176	545871165	/nfs/dbraw/zinc/87/11/65/545871165.db2.gz	LPDCWYUUDBQPBP-KGLIPLIRSA-N	0	3	297.366	0.845	50	30		CCEAHN
CN(C)CCN1CCN(c2cccc(C#N)n2)CCC1=O	ZINC000826791874	821671127	/nfs/dbraw/zinc/67/11/27/821671127.db2.gz	CEKKBNVLQMJKBU-UHFFFAOYSA-N	0	3	287.367	0.554	50	30		CCEAHN
CC[N@H+](CCCNC(=O)/C=N/[O-])CCCN(C)C	ZINC000095115851	349590583	/nfs/dbraw/zinc/59/05/83/349590583.db2.gz	IVYMLDIDAUCALZ-SDNWHVSQSA-N	0	3	258.366	0.226	50	30		CCEAHN
CC[N@@H+](CCCNC(=O)/C=N/[O-])CCCN(C)C	ZINC000095115851	349590584	/nfs/dbraw/zinc/59/05/84/349590584.db2.gz	IVYMLDIDAUCALZ-SDNWHVSQSA-N	0	3	258.366	0.226	50	30		CCEAHN
N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](O)C2)cc1	ZINC000044869308	388872347	/nfs/dbraw/zinc/87/23/47/388872347.db2.gz	DBYSCSVITOBSML-GJZGRUSLSA-N	0	3	290.363	0.949	50	30		CCEAHN
Cn1nccc1[C@H]1[C@H](NCC2(CC#N)CC2)CC(=O)N1C	ZINC000585116979	390357861	/nfs/dbraw/zinc/35/78/61/390357861.db2.gz	OCEPPVXAXLIFCF-BXUZGUMPSA-N	0	3	287.367	0.975	50	30		CCEAHN
Cc1nnc2n1C[C@H](CN(C)C)N(C(=O)C#CC1CC1)C2	ZINC000685941958	545870632	/nfs/dbraw/zinc/87/06/32/545870632.db2.gz	FFFVMRFKMUKUAZ-ZDUSSCGKSA-N	0	3	287.367	0.272	50	30		CCEAHN
CN1CCc2nc(SCC(N)=O)c(C#N)cc2C1	ZINC000019852920	348071741	/nfs/dbraw/zinc/07/17/41/348071741.db2.gz	FNCPZSZZRSAHCH-UHFFFAOYSA-N	0	3	262.338	0.519	50	30		CCEAHN
C=CCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1	ZINC000089893944	349411079	/nfs/dbraw/zinc/41/10/79/349411079.db2.gz	JSHUGBFTGNJJOR-NWDGAFQWSA-N	0	3	258.387	0.414	50	30		CCEAHN
CN(CCN(C)C1CC1)C(=O)C#CC1CCOCC1	ZINC000408522873	389374311	/nfs/dbraw/zinc/37/43/11/389374311.db2.gz	MVEQOQQKZGQEMZ-UHFFFAOYSA-N	0	3	264.369	0.969	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCN1C(=O)C(C)C	ZINC000103691408	397407416	/nfs/dbraw/zinc/40/74/16/397407416.db2.gz	CIZZBAPYCFGVJT-RYUDHWBXSA-N	0	3	293.367	0.867	50	30		CCEAHN
CNC(=O)CCN(C)Cc1cc(C#CCO)cs1	ZINC000234353235	790910613	/nfs/dbraw/zinc/91/06/13/790910613.db2.gz	QWPNTDDIIFAAQD-UHFFFAOYSA-N	0	3	266.366	0.660	50	30		CCEAHN
Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(N)n1	ZINC000071821682	348911701	/nfs/dbraw/zinc/91/17/01/348911701.db2.gz	BKWBJAQNCDCAPH-UHFFFAOYSA-N	0	3	295.350	0.961	50	30		CCEAHN
Cc1cnn(CCNCC(=O)N[C@@](C)(C#N)C2CC2)c1	ZINC000072253064	348916896	/nfs/dbraw/zinc/91/68/96/348916896.db2.gz	FVSCSLUTFMUXOY-AWEZNQCLSA-N	0	3	275.356	0.590	50	30		CCEAHN
CCN1CCN(CCCNC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175283782	351124861	/nfs/dbraw/zinc/12/48/61/351124861.db2.gz	CJCNHSDHAYJZQG-UHFFFAOYSA-N	0	3	289.383	0.644	50	30		CCEAHN
N#Cc1c[nH]c(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1	ZINC000426472581	389668710	/nfs/dbraw/zinc/66/87/10/389668710.db2.gz	BFRFCNNSEHPJEL-KBPBESRZSA-N	0	3	288.351	0.558	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)CN1CCCCCC1=O	ZINC000100828061	397402233	/nfs/dbraw/zinc/40/22/33/397402233.db2.gz	QFTSTNFUVYAAJQ-NSHDSACASA-N	0	3	279.340	0.622	50	30		CCEAHN
O=C1c2ccccc2C(=O)C(NCCNCCO)=C1Cl	ZINC000102132358	397404450	/nfs/dbraw/zinc/40/44/50/397404450.db2.gz	TWZMBWHWTYKHEL-UHFFFAOYSA-N	0	3	294.738	0.688	50	30		CCEAHN
CN(C)[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1CO	ZINC000253408786	352533679	/nfs/dbraw/zinc/53/36/79/352533679.db2.gz	LBNJQIYDZQRDFA-UONOGXRCSA-N	0	3	273.336	0.553	50	30		CCEAHN
N#Cc1ncn(C[C@H](O)CN2CCc3ccccc3C2)n1	ZINC000095438899	349611016	/nfs/dbraw/zinc/61/10/16/349611016.db2.gz	MFTAPEOSMMOSKG-CQSZACIVSA-N	0	3	283.335	0.569	50	30		CCEAHN
C=CCC[C@H](O)CN1CCc2nn(C)c(=O)cc2C1	ZINC000132492886	350309591	/nfs/dbraw/zinc/30/95/91/350309591.db2.gz	NHCAFLVKNPDTQT-LBPRGKRZSA-N	0	3	263.341	0.466	50	30		CCEAHN
Cc1cccc(S(=O)(=O)N[C@@H]2CCCNC2)c1C#N	ZINC000195555162	351919540	/nfs/dbraw/zinc/91/95/40/351919540.db2.gz	FRVJREYUKOVUTK-LLVKDONJSA-N	0	3	279.365	0.897	50	30		CCEAHN
CN1CC[C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@H]21	ZINC000252485222	352516643	/nfs/dbraw/zinc/51/66/43/352516643.db2.gz	GPFOCXUVMPDCEK-WCQYABFASA-N	0	3	256.309	0.729	50	30		CCEAHN
CN(C)C(=O)[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1CO	ZINC000257187326	352551034	/nfs/dbraw/zinc/55/10/34/352551034.db2.gz	APEFJVGLJDUJDD-LSDHHAIUSA-N	0	3	287.363	0.687	50	30		CCEAHN
Cn1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1C#N	ZINC000584902872	359242657	/nfs/dbraw/zinc/24/26/57/359242657.db2.gz	ZQGFPAUOANIGRR-HOTGVXAUSA-N	0	3	288.395	0.928	50	30		CCEAHN
C=CC(C)(C)OC[C@H](O)CN1CCN(CC)CC1	ZINC000022918119	388798292	/nfs/dbraw/zinc/79/82/92/388798292.db2.gz	JJUIUCKOLRMAFX-CYBMUJFWSA-N	0	3	256.390	0.966	50	30		CCEAHN
C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCN(C)C)C1	ZINC000011842829	388775381	/nfs/dbraw/zinc/77/53/81/388775381.db2.gz	BPCACBSJZAHIDW-AWEZNQCLSA-N	0	3	293.411	0.987	50	30		CCEAHN
CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H](CN(C)C)C1	ZINC000069815864	388951548	/nfs/dbraw/zinc/95/15/48/388951548.db2.gz	WVVKWTGLXDMYLN-HIFRSBDPSA-N	0	3	296.415	0.303	50	30		CCEAHN
C=CCNC(=O)CN1C[C@H]2CCC[C@]2(C(=O)OC)C1	ZINC000097082966	389066276	/nfs/dbraw/zinc/06/62/76/389066276.db2.gz	WTMINQOMJNZECR-RISCZKNCSA-N	0	3	266.341	0.564	50	30		CCEAHN
CN(C)C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCO1	ZINC000229536931	389156376	/nfs/dbraw/zinc/15/63/76/389156376.db2.gz	HNHYFNKEAUHAKA-ZFWWWQNUSA-N	0	3	294.399	0.057	50	30		CCEAHN
C#CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1	ZINC000374295092	389566145	/nfs/dbraw/zinc/56/61/45/389566145.db2.gz	LXQHDOBPGBVFMZ-UONOGXRCSA-N	0	3	278.400	0.287	50	30		CCEAHN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC000103691405	397407311	/nfs/dbraw/zinc/40/73/11/397407311.db2.gz	CIZZBAPYCFGVJT-NWDGAFQWSA-N	0	3	293.367	0.867	50	30		CCEAHN
CN=C(Nc1nc[nH]c1C(=O)NC)N1CCCC1	ZINC000003767729	277261953	/nfs/dbraw/zinc/26/19/53/277261953.db2.gz	LRHMJLNGNUUVBN-UHFFFAOYSA-N	0	3	250.306	0.072	50	30		CCEAHN
C=CCN(CCO)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000085820231	179183094	/nfs/dbraw/zinc/18/30/94/179183094.db2.gz	VDFJKTBBMLCFNC-LBPRGKRZSA-N	0	3	276.402	0.138	50	30		CCEAHN
C=C(C)CN(CC)C(=O)CNC[C@@H]1CN(C)CCO1	ZINC000069599181	348854538	/nfs/dbraw/zinc/85/45/38/348854538.db2.gz	PLIYRIFYMHAJEM-CYBMUJFWSA-N	0	3	269.389	0.331	50	30		CCEAHN
C=CCN(CC=C)C(=O)CN1CCN2CCC[C@H]2C1	ZINC000243885802	389203961	/nfs/dbraw/zinc/20/39/61/389203961.db2.gz	ACJRKZWBHZVBTI-AWEZNQCLSA-N	0	3	263.385	0.967	50	30		CCEAHN
CC(=NNC(=N)N)c1ccc(N2CCOCC2)cc1	ZINC000606347487	390384975	/nfs/dbraw/zinc/38/49/75/390384975.db2.gz	GLHSDBZYTVKMRK-UHFFFAOYSA-N	0	3	261.329	0.730	50	30		CCEAHN
Cc1c(CN[C@H]2CCCCNC2=O)cc(C#N)n1C	ZINC000077327099	544467062	/nfs/dbraw/zinc/46/70/62/544467062.db2.gz	NOXUKAHBMIYAGZ-ZDUSSCGKSA-N	0	3	260.341	0.964	50	30		CCEAHN
COc1ccc(C2=NN(C(=N)NCCN(C)C)CC2)cc1	ZINC000096027847	185067315	/nfs/dbraw/zinc/06/73/15/185067315.db2.gz	MKBWTLSFUMMCRL-UHFFFAOYSA-N	0	3	289.383	0.981	50	30		CCEAHN
C=CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccccc1	ZINC000193199484	351816328	/nfs/dbraw/zinc/81/63/28/351816328.db2.gz	GHAAJXLEPMPLAM-JTQLQIEISA-N	0	3	296.348	0.861	50	30		CCEAHN
N#Cc1ccc(OCCN2CCC[C@@](O)(C(N)=O)C2)cc1	ZINC000286184139	353567233	/nfs/dbraw/zinc/56/72/33/353567233.db2.gz	NCEFHEHSAZTKMS-HNNXBMFYSA-N	0	3	289.335	0.249	50	30		CCEAHN
C[NH+](C)CCn1cc([O-])c(-c2nc3ccccc3[nH]2)c1N	ZINC000011906252	388777420	/nfs/dbraw/zinc/77/74/20/388777420.db2.gz	VCFRRLLHBXDEOK-UHFFFAOYSA-N	0	3	285.351	0.637	50	30		CCEAHN
CC1CCN(CCn2c(N)nc(C#N)c2C#N)CC1	ZINC000096494613	528250004	/nfs/dbraw/zinc/25/00/04/528250004.db2.gz	NHKCEZAOJDBJJX-UHFFFAOYSA-N	0	3	258.329	0.941	50	30		CCEAHN
CN1CCCCC[C@@H]1C(=O)N1CCn2nc(C#N)cc2C1	ZINC000670445332	545235625	/nfs/dbraw/zinc/23/56/25/545235625.db2.gz	OWHUGUKSVRMSIJ-CQSZACIVSA-N	0	3	287.367	0.971	50	30		CCEAHN
N#Cc1cccc(N2C[C@H](O)[C@@H](N3CCCC3)C2)n1	ZINC000670467111	545236929	/nfs/dbraw/zinc/23/69/29/545236929.db2.gz	ZKVGDIVPBMRQNN-STQMWFEESA-N	0	3	258.325	0.599	50	30		CCEAHN
CNC(=O)C(C#N)C(=O)CN1CCCCCCC1=O	ZINC000102765842	349684086	/nfs/dbraw/zinc/68/40/86/349684086.db2.gz	WAFUWSUKCBYLBI-JTQLQIEISA-N	0	3	265.313	0.234	50	30		CCEAHN
NN=C1C2CN3CC1(Cc1ccc(O)cc1)CN(C2)CC3	ZINC000252628922	352521079	/nfs/dbraw/zinc/52/10/79/352521079.db2.gz	TUWYHSADVZWVIX-UHFFFAOYSA-N	0	3	286.379	0.497	50	30		CCEAHN
C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCN(C)C)C1	ZINC000011812822	388775348	/nfs/dbraw/zinc/77/53/48/388775348.db2.gz	JCMYBYVPTURBQK-AWEZNQCLSA-N	0	3	291.395	0.434	50	30		CCEAHN
CN(C)C[C@@H]1CN(C(=O)NCCc2ccco2)CCO1	ZINC000330823171	264047517	/nfs/dbraw/zinc/04/75/17/264047517.db2.gz	GQFOQUBICWFJQL-CYBMUJFWSA-N	0	3	281.356	0.999	50	30		CCEAHN
N#Cc1cccc(N2CCCN(CCO)CC2)c1C#N	ZINC000253433518	352535804	/nfs/dbraw/zinc/53/58/04/352535804.db2.gz	XVZDOGKGWDSFQV-UHFFFAOYSA-N	0	3	270.336	0.934	50	30		CCEAHN
Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1CCCO	ZINC000013284427	348026581	/nfs/dbraw/zinc/02/65/81/348026581.db2.gz	ZTJNXHIJPWOQRS-UHFFFAOYSA-N	0	3	272.308	0.457	50	30		CCEAHN
Cc1[nH]c(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cc1C#N	ZINC000584888720	359228136	/nfs/dbraw/zinc/22/81/36/359228136.db2.gz	WPJGLPLGQJGNGM-GJZGRUSLSA-N	0	3	274.368	0.836	50	30		CCEAHN
Cc1c(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cc(C#N)n1C	ZINC000584892780	359233298	/nfs/dbraw/zinc/23/32/98/359233298.db2.gz	BIDZMYFMWAYKKF-HOTGVXAUSA-N	0	3	288.395	0.846	50	30		CCEAHN
C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@H]1CN(C)CCO1	ZINC000069517879	518595150	/nfs/dbraw/zinc/59/51/50/518595150.db2.gz	GRJUQNVWIASDNG-KGLIPLIRSA-N	0	3	283.416	0.720	50	30		CCEAHN
N#Cc1cnc(NCCCN2CCC[C@@H](CO)C2)nc1N	ZINC000670452898	545236203	/nfs/dbraw/zinc/23/62/03/545236203.db2.gz	HLLGVAFHUNRUKN-LLVKDONJSA-N	0	3	290.371	0.437	50	30		CCEAHN
C#CCOC[C@@H](O)CN(CCCOC)Cc1cccn1C	ZINC000004425139	347995212	/nfs/dbraw/zinc/99/52/12/347995212.db2.gz	OUPKUWXTGTYBTF-INIZCTEOSA-N	0	3	294.395	0.874	50	30		CCEAHN
CN(C)c1nc(N)nc(C(C#N)C(=O)Nc2ccccc2)n1	ZINC000089326858	349382234	/nfs/dbraw/zinc/38/22/34/349382234.db2.gz	LOEKLTKRRHXFBE-JTQLQIEISA-N	0	3	297.322	0.766	50	30		CCEAHN
N#CCCNC(=O)CN1CCC(c2ccn[nH]2)CC1	ZINC000058244961	388935476	/nfs/dbraw/zinc/93/54/76/388935476.db2.gz	GTZOONHWYJMFIA-UHFFFAOYSA-N	0	3	261.329	0.619	50	30		CCEAHN
Cc1ccc(C#N)cc1S(=O)(=O)NC1CNC1	ZINC000090289241	389020523	/nfs/dbraw/zinc/02/05/23/389020523.db2.gz	NBIWLMVNPKGXKX-UHFFFAOYSA-N	0	3	251.311	0.117	50	30		CCEAHN
N#Cc1ccc(OC[C@@H](O)CN2CCC(O)CC2)cc1	ZINC000003324498	303196014	/nfs/dbraw/zinc/19/60/14/303196014.db2.gz	NKHMZKVBAOIDOK-AWEZNQCLSA-N	0	3	276.336	0.755	50	30		CCEAHN
N/N=C1\C2CN3CC1(Cc1ccccc1)CN(C2)CC3	ZINC000095347201	303219528	/nfs/dbraw/zinc/21/95/28/303219528.db2.gz	MLJGOEPWXHETFZ-OBGWFSINSA-N	0	3	270.380	0.791	50	30		CCEAHN
C=CCN(CC=C)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O	ZINC000000380673	649936500	/nfs/dbraw/zinc/93/65/00/649936500.db2.gz	YLQNFBJDVGCRMB-LLVKDONJSA-N	0	3	281.356	0.352	50	30		CCEAHN
C=CCN(CC=C)C(=O)CN1CCN2CCC[C@@H]2C1	ZINC000065469246	348717928	/nfs/dbraw/zinc/71/79/28/348717928.db2.gz	ACJRKZWBHZVBTI-CQSZACIVSA-N	0	3	263.385	0.967	50	30		CCEAHN
NC(=O)CON=C(N)c1cccc(CN2CCCCC2)c1	ZINC000060113046	388936603	/nfs/dbraw/zinc/93/66/03/388936603.db2.gz	SXPDCJDPLCUAHK-UHFFFAOYSA-N	0	3	290.367	0.795	50	30		CCEAHN
C=CC[C@]1(CO)CCCN(CCN2CCOCC2)C1	ZINC000092046368	389026944	/nfs/dbraw/zinc/02/69/44/389026944.db2.gz	XZUHRXJPCUGPCF-HNNXBMFYSA-N	0	3	268.401	0.969	50	30		CCEAHN
N#Cc1c[nH]c(C(=O)NCCN2CCCC[C@H]2CO)c1	ZINC000426387780	389664633	/nfs/dbraw/zinc/66/46/33/389664633.db2.gz	BBBJTNPMPGLATA-LBPRGKRZSA-N	0	3	276.340	0.463	50	30		CCEAHN