smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)/C=N\c1ccn([C@H]2C[C@H](F)[C@H](CO)O2)c(=O)n1	ZINC000005767370	170138732	/nfs/dbraw/zinc/13/87/32/170138732.db2.gz	XPEDWRMUCWJRTR-UVXQWRKCSA-N	0	3	284.291	0.083	40	30		CCEBHN
N=C(NC[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cn1	ZINC000225234726	352001150	/nfs/dbraw/zinc/00/11/50/352001150.db2.gz	GYZLKNBKRPOQGY-VIFPVBQESA-N	0	3	265.273	0.895	40	30		CCEBHN
COCCCNC(=N)Nc1ccc([N+](=O)[O-])cn1	ZINC000225235515	352001465	/nfs/dbraw/zinc/00/14/65/352001465.db2.gz	CHFFXKOKCHTCDE-UHFFFAOYSA-N	0	3	253.262	0.753	40	30		CCEBHN
CC(C=NNC1=NCCCCN1)=NN=C1NCCCCN1	ZINC000104309871	349714225	/nfs/dbraw/zinc/71/42/25/349714225.db2.gz	PVLJIIBWQHJHBT-PAUOAVIZSA-N	0	3	292.391	0.006	40	30		CCEBHN
Cn1ccnc1N[C@H]1COC2(C1)CCN(CC#N)CC2	ZINC000096224776	389053992	/nfs/dbraw/zinc/05/39/92/389053992.db2.gz	MKNCFQSZJOYCRS-GFCCVEGCSA-N	0	3	275.356	0.979	40	30		CCEBHN
N=C(NC(N)=[NH2+])Nc1ccc(SCC(=O)[O-])cc1	ZINC000031687741	348127149	/nfs/dbraw/zinc/12/71/49/348127149.db2.gz	WJGKXQASUQNROY-UHFFFAOYSA-N	0	3	267.314	0.483	40	30		CCEBHN
C=CCN1CCN(C)C2(CCN([C@H]3CCOC3)CC2)C1=O	ZINC000096230079	389055132	/nfs/dbraw/zinc/05/51/32/389055132.db2.gz	VIYXSKUCEOCYSO-AWEZNQCLSA-N	0	3	293.411	0.570	40	30		CCEBHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1	ZINC000008300006	348012155	/nfs/dbraw/zinc/01/21/55/348012155.db2.gz	AMMNFHDLXDGHTH-MELADBBJSA-N	0	3	279.384	0.925	40	30	biogenic,in-vitro	CCEBHN
N#Cc1ccc(N2C[C@]3(CNCCOC3)OCC2=O)cc1	ZINC000306133833	389090430	/nfs/dbraw/zinc/09/04/30/389090430.db2.gz	MXOVAXJNPWNKRB-HNNXBMFYSA-N	0	3	287.319	0.280	40	30		CCEBHN
NN=C(N)SCCCCCCSC(N)=NN	ZINC000017290066	348053827	/nfs/dbraw/zinc/05/38/27/348053827.db2.gz	BSCUKRJCQHGCGU-UHFFFAOYSA-N	0	3	264.424	0.390	40	30		CCEBHN
N=C(NCCN1CCOCC1)Nc1ccc([N+](=O)[O-])cn1	ZINC000225235139	352001167	/nfs/dbraw/zinc/00/11/67/352001167.db2.gz	ZLBCBNFJTURUFW-UHFFFAOYSA-N	0	3	294.315	0.049	40	30		CCEBHN
CN(CCC#N)CCN(C)CCN(C)CCC#N	ZINC000068604950	388948060	/nfs/dbraw/zinc/94/80/60/388948060.db2.gz	VAVGPFJDHRORNY-UHFFFAOYSA-N	0	3	251.378	0.609	40	30		CCEBHN
N/N=C1/C2CN3CC1(Cc1ccccc1)CN(C2)CC3	ZINC000104249431	349712928	/nfs/dbraw/zinc/71/29/28/349712928.db2.gz	MLJGOEPWXHETFZ-SDXDJHTJSA-N	0	3	270.380	0.791	40	30		CCEBHN
CN(C)/C=N\c1ccn([C@@H]2C[C@H](F)[C@H](CO)O2)c(=O)n1	ZINC000005767367	170138939	/nfs/dbraw/zinc/13/89/39/170138939.db2.gz	XPEDWRMUCWJRTR-WJQXENBMSA-N	0	3	284.291	0.083	40	30		CCEBHN
N#Cc1cc([N+](=O)[O-])c(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000026508914	274921002	/nfs/dbraw/zinc/92/10/02/274921002.db2.gz	HETJMJHCWHEPTL-UHFFFAOYSA-N	0	3	277.240	0.784	40	30		CCEBHN
C=CCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1	ZINC000408709838	389376126	/nfs/dbraw/zinc/37/61/26/389376126.db2.gz	XTOPOTMHCPERAK-UHFFFAOYSA-N	0	3	291.351	0.868	40	30		CCEBHN
CN(C)[C@@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H]2COC[C@H]12	ZINC000096064189	185083589	/nfs/dbraw/zinc/08/35/89/185083589.db2.gz	LJDXMUILLNJVMX-RBSFLKMASA-N	0	3	285.347	0.959	40	30		CCEBHN
C=CCNCc1ccc(OCC(N)=O)c(OC)c1	ZINC000008470996	170336763	/nfs/dbraw/zinc/33/67/63/170336763.db2.gz	PTKQNEJXLUCHQE-UHFFFAOYSA-N	0	3	250.298	0.835	40	30		CCEBHN
C#CCN(C)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1	ZINC000030878705	348121343	/nfs/dbraw/zinc/12/13/43/348121343.db2.gz	DHWZDHQHONEXMP-IHRRRGAJSA-N	0	3	280.368	0.129	40	30	biogenic,in-vitro	CCEBHN
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NNC(N)=[NH2+]	ZINC000035182984	282242054	/nfs/dbraw/zinc/24/20/54/282242054.db2.gz	ALKGGJNXBONCBQ-VIZOYTHASA-N	0	3	258.285	0.494	40	30		CCEBHN
CNC(=O)[C@H]1C[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2N1C	ZINC000096182491	389048186	/nfs/dbraw/zinc/04/81/86/389048186.db2.gz	LEDFYOOITWTRNF-OAGGEKHMSA-N	0	3	298.390	0.809	40	30		CCEBHN
N#Cc1cccc(N2CCC[C@@]3(CNCCO3)C2)n1	ZINC000096226425	283208212	/nfs/dbraw/zinc/20/82/12/283208212.db2.gz	AULPUKKWBDWVKY-CQSZACIVSA-N	0	3	258.325	0.912	40	30		CCEBHN
N[C@H]1CO[S@@](=O)O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000055425343	303490163	/nfs/dbraw/zinc/49/01/63/303490163.db2.gz	YVIPBFMAZYCJJP-GSRNSYJJSA-N	0	3	258.255	0.589	40	30		CCEBHN
CC(C=NNC1=NCCCCN1)=NN=C1NCCCCN1	ZINC000104309865	349713975	/nfs/dbraw/zinc/71/39/75/349713975.db2.gz	PVLJIIBWQHJHBT-BJPQZVBLSA-N	0	3	292.391	0.006	40	30		CCEBHN
CC(=NNC(=N)N)c1ccc(NC(N)=S)cc1	ZINC000017020328	348051789	/nfs/dbraw/zinc/05/17/89/348051789.db2.gz	UFEURNAHHTZUFH-GIDUJCDVSA-N	0	3	250.331	0.340	40	30		CCEBHN
CC(=NNC(=N)N)c1ccc(NC(N)=S)cc1	ZINC000006021343	170168997	/nfs/dbraw/zinc/16/89/97/170168997.db2.gz	UFEURNAHHTZUFH-UUASQNMZSA-N	0	3	250.331	0.340	40	30		CCEBHN
C=CCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1	ZINC000096183233	349618042	/nfs/dbraw/zinc/61/80/42/349618042.db2.gz	SWUWDBSPWOXHSZ-QWHCGFSZSA-N	0	3	290.367	0.951	40	30		CCEBHN
CN(C)C[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	ZINC000001684424	347960967	/nfs/dbraw/zinc/96/09/67/347960967.db2.gz	IAPCEIODUZCJAW-JOZRWXFHSA-N	0	3	282.256	0.904	40	30		CCEBHN
CN1CCC[C@H](COc2nc(N)cc(N)c2C#N)C1	ZINC000044018775	348316007	/nfs/dbraw/zinc/31/60/07/348316007.db2.gz	VGZMXKZYNPYQFQ-VIFPVBQESA-N	0	3	261.329	0.838	40	30		CCEBHN
CC(=O)C1=C(O)C(=O)N(CCN)[C@H]1c1ccccc1	ZINC000020314891	171145421	/nfs/dbraw/zinc/14/54/21/171145421.db2.gz	VYYSJPOJQISEPT-LBPRGKRZSA-N	0	3	260.293	0.930	40	30		CCEBHN
C=CCNC(=S)N/N=C1/C2CN3CC1(C)CN(C2)CC3	ZINC000104249581	349712878	/nfs/dbraw/zinc/71/28/78/349712878.db2.gz	AWPBCOABBYFXFL-VBKFSLOCSA-N	0	3	293.440	0.260	40	30		CCEBHN
CN(C)/C=N/c1ccn([C@@H]2C[C@H](F)[C@H](CO)O2)c(=O)n1	ZINC000104272050	349713634	/nfs/dbraw/zinc/71/36/34/349713634.db2.gz	XPEDWRMUCWJRTR-XDSKHTKKSA-N	0	3	284.291	0.083	40	30		CCEBHN
CN(C)C[C@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1	ZINC000004722215	170005377	/nfs/dbraw/zinc/00/53/77/170005377.db2.gz	IAPCEIODUZCJAW-IWKZGAEBSA-N	0	3	282.256	0.904	40	30		CCEBHN
CN(C)C[C@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	ZINC000001684422	347960404	/nfs/dbraw/zinc/96/04/04/347960404.db2.gz	IAPCEIODUZCJAW-NRIUJFNNSA-N	0	3	282.256	0.904	40	30		CCEBHN
CCOC(=O)C=C(N)NNc1ccncc1[N+](=O)[O-]	ZINC000016682264	348050231	/nfs/dbraw/zinc/05/02/31/348050231.db2.gz	VETRNOBCBUYWGI-UHFFFAOYSA-N	0	3	267.245	0.049	40	30		CCEBHN
CN(C)C[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1	ZINC000004722213	388759718	/nfs/dbraw/zinc/75/97/18/388759718.db2.gz	IAPCEIODUZCJAW-UKWOQQOSSA-N	0	3	282.256	0.904	40	30		CCEBHN
NC(=O)C1CCN([C@@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC1	ZINC000100971160	295035999	/nfs/dbraw/zinc/03/59/99/295035999.db2.gz	JPUYWHKKSZUNBX-AOBOSZRZSA-N	0	3	251.330	0.812	40	30		CCEBHN
CN(C)/C=N/c1ccn([C@H]2C[C@H](F)[C@H](CO)O2)c(=O)n1	ZINC000104272054	349713291	/nfs/dbraw/zinc/71/32/91/349713291.db2.gz	XPEDWRMUCWJRTR-MISBYSQRSA-N	0	3	284.291	0.083	40	30		CCEBHN
N#CC1=C([O-])NC(=[NH2+])NC12CCN(Cc1ccccc1)CC2	ZINC000020636427	388795522	/nfs/dbraw/zinc/79/55/22/388795522.db2.gz	ZTRJTLDBCQIJTC-CYBMUJFWSA-N	0	3	297.362	0.605	40	30		CCEBHN
O=C1Nc2ccccc2C1=NNC1=NCCCCN1	ZINC000003593136	284929126	/nfs/dbraw/zinc/92/91/26/284929126.db2.gz	VIAFYOKAQXBJLJ-UHFFFAOYSA-N	0	3	257.297	0.672	40	30		CCEBHN
CC(C=NNC1=NCCCCN1)=NN=C1NCCCCN1	ZINC000008665443	170344707	/nfs/dbraw/zinc/34/47/07/170344707.db2.gz	PVLJIIBWQHJHBT-OMYAATJGSA-N	0	3	292.391	0.006	40	30		CCEBHN
CC(C=NNC1=NCCCCN1)=NN=C1NCCCCN1	ZINC000017253885	348054078	/nfs/dbraw/zinc/05/40/78/348054078.db2.gz	PVLJIIBWQHJHBT-XOBNHNQQSA-N	0	3	292.391	0.006	40	30		CCEBHN
CCCN1CCN(CCCOS(C)(=O)=O)CC1	ZINC000228938226	352086226	/nfs/dbraw/zinc/08/62/26/352086226.db2.gz	JCKUCVOONQGTSZ-UHFFFAOYSA-N	0	3	264.391	0.380	40	30		CCEBHN
CC(=O)C1=C(O)C(=O)N(CCN)[C@@H]1c1ccccc1	ZINC000020314886	171145627	/nfs/dbraw/zinc/14/56/27/171145627.db2.gz	VYYSJPOJQISEPT-GFCCVEGCSA-N	0	3	260.293	0.930	40	30		CCEBHN
C=CCN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1cnn(C)c1	ZINC000096055616	185076679	/nfs/dbraw/zinc/07/66/79/185076679.db2.gz	LRVDZOQFMDLEKY-QWHCGFSZSA-N	0	3	260.341	0.781	40	30		CCEBHN
CC(=O)ONC(=O)C[C@H](N)c1ccc([N+](=O)[O-])cc1	ZINC000584577544	359174230	/nfs/dbraw/zinc/17/42/30/359174230.db2.gz	WXDSLUDASQLDSW-JTQLQIEISA-N	0	3	267.241	0.579	40	30		CCEBHN
N#Cc1cccc(N2CCC[C@]3(CNCCO3)C2)n1	ZINC000096226424	283208121	/nfs/dbraw/zinc/20/81/21/283208121.db2.gz	AULPUKKWBDWVKY-AWEZNQCLSA-N	0	3	258.325	0.912	40	30		CCEBHN
C=C(C)CN1CCC(NC(=O)CNC(C)=O)CC1	ZINC000106291112	526581824	/nfs/dbraw/zinc/58/18/24/526581824.db2.gz	PQSZPDBQDBUJJO-UHFFFAOYSA-N	0	3	253.346	0.279	40	30		CCEBHN
NC(=O)C=C(N)NNc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000016385159	326849925	/nfs/dbraw/zinc/84/99/25/326849925.db2.gz	VKCMYRLEANZASN-UHFFFAOYSA-N	0	3	271.664	0.808	40	30		CCEBHN
C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCC	ZINC000008300639	814962243	/nfs/dbraw/zinc/96/22/43/814962243.db2.gz	WJNRRJFJHZVGKH-SDDRHHMPSA-N	0	3	251.399	0.814	40	30	biogenic,in-vitro	CCEBHN
NC(=O)C1CCN([C@@H]2/C(=N/O)[C@@H]3CC[C@H]2C3)CC1	ZINC000100971161	230392239	/nfs/dbraw/zinc/39/22/39/230392239.db2.gz	JPUYWHKKSZUNBX-KBQANIIVSA-N	0	3	251.330	0.812	40	30		CCEBHN
N#CC1=C([O-])NC(=[NH2+])NC12CCN(Cc1ccccc1)CC2	ZINC000020636430	388795605	/nfs/dbraw/zinc/79/56/05/388795605.db2.gz	ZTRJTLDBCQIJTC-ZDUSSCGKSA-N	0	3	297.362	0.605	40	30		CCEBHN
C=CCN1CCN(C)C2(CCN([C@@H]3CCOC3)CC2)C1=O	ZINC000096230078	389055656	/nfs/dbraw/zinc/05/56/56/389055656.db2.gz	VIYXSKUCEOCYSO-CQSZACIVSA-N	0	3	293.411	0.570	40	30		CCEBHN
C=CCN1CCOC[C@@]2(CN(CC3CC3)CCO2)C1	ZINC000096049802	389044086	/nfs/dbraw/zinc/04/40/86/389044086.db2.gz	JYEJYLBJQKJQTO-HNNXBMFYSA-N	0	3	266.385	0.986	40	30		CCEBHN
N/N=C1/C2CN3CC1(Cc1ccc(O)cc1)CN(C2)CC3	ZINC000104547395	349716534	/nfs/dbraw/zinc/71/65/34/349716534.db2.gz	TUWYHSADVZWVIX-SDXDJHTJSA-N	0	3	286.379	0.497	40	30		CCEBHN
C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COC	ZINC000020503923	388796056	/nfs/dbraw/zinc/79/60/56/388796056.db2.gz	VTGDBWDLNWJQMX-SOUVJXGZSA-N	0	3	293.411	0.024	40	30	biogenic,in-vitro	CCEBHN
Cn1ccnc1N[C@@H]1COC2(C1)CCN(CC#N)CC2	ZINC000096224777	389054112	/nfs/dbraw/zinc/05/41/12/389054112.db2.gz	MKNCFQSZJOYCRS-LBPRGKRZSA-N	0	3	275.356	0.979	40	30		CCEBHN
N#Cc1ccc(N2C[C@@]3(CNCCOC3)OCC2=O)cc1	ZINC000306133834	354172913	/nfs/dbraw/zinc/17/29/13/354172913.db2.gz	MXOVAXJNPWNKRB-OAHLLOKOSA-N	0	3	287.319	0.280	40	30		CCEBHN
C=CCO[C@@H]1C[C@H]2CN(Cc3nccn3C)CCN2C1	ZINC000096183218	256805247	/nfs/dbraw/zinc/80/52/47/256805247.db2.gz	ZEWPVZCXYWMLQM-UONOGXRCSA-N	0	3	276.384	0.881	40	30		CCEBHN
C#CCN(C)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCCC2)O1	ZINC000030879248	388829924	/nfs/dbraw/zinc/82/99/24/388829924.db2.gz	UOGGQVWGXUAMIF-KKUMJFAQSA-N	0	3	294.395	0.472	40	30	biogenic,in-vitro	CCEBHN
N[C@H]1CO[S@@](=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000055425342	388931619	/nfs/dbraw/zinc/93/16/19/388931619.db2.gz	YVIPBFMAZYCJJP-BTKFHORUSA-N	0	3	258.255	0.589	40	30		CCEBHN
C=CCN1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1	ZINC000096038727	185069204	/nfs/dbraw/zinc/06/92/04/185069204.db2.gz	CQYHUUUYMSGXJM-UKRRQHHQSA-N	0	3	280.368	0.512	40	30		CCEBHN
O=C(NCC1CC[NH2+]CC1)c1ccc(/C=N/[O-])nc1	ZINC000020060180	348077064	/nfs/dbraw/zinc/07/70/64/348077064.db2.gz	BYIPXWQSMYWXMX-RQZCQDPDSA-N	0	3	262.313	0.619	40	30		CCEBHN
N#Cc1ccc(NC(=O)CNCCN2CCOCC2)cc1	ZINC000022584084	171392590	/nfs/dbraw/zinc/39/25/90/171392590.db2.gz	SPRMRAHIJLWNQD-UHFFFAOYSA-N	0	3	288.351	0.419	40	30		CCEBHN
N#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(CO)CCCC1	ZINC000013687371	526513727	/nfs/dbraw/zinc/51/37/27/526513727.db2.gz	VZOVKVCGZDERPK-TXEJJXNPSA-N	0	3	276.340	0.288	40	30	in-vitro	CCEBHN
C=CCN1CC[C@H](O)[C@@H](n2cnc3c2ncnc3N)CC1	ZINC000257282625	190026083	/nfs/dbraw/zinc/02/60/83/190026083.db2.gz	OUNUIGCGDHDVNB-QWRGUYRKSA-N	0	3	288.355	0.592	40	30		CCEBHN
C=CCN1CCOC[C@]2(CN(CC3CC3)CCO2)C1	ZINC000096049801	389043340	/nfs/dbraw/zinc/04/33/40/389043340.db2.gz	JYEJYLBJQKJQTO-OAHLLOKOSA-N	0	3	266.385	0.986	40	30		CCEBHN
C=CCO[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1	ZINC000096183215	389048481	/nfs/dbraw/zinc/04/84/81/389048481.db2.gz	BDGVPJCSJUSXBT-LSDHHAIUSA-N	0	3	276.384	0.881	40	30		CCEBHN
CC#C[C@](O)(C(=O)OC1CCN(C)CC1)c1ccccn1	ZINC000001641852	347958760	/nfs/dbraw/zinc/95/87/60/347958760.db2.gz	FRHRRFHZXFZKJA-MRXNPFEDSA-N	0	3	288.347	0.930	40	30		CCEBHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000008300539	388764957	/nfs/dbraw/zinc/76/49/57/388764957.db2.gz	YOWSOTXREKALRB-RWMBFGLXSA-N	0	3	283.441	0.993	40	30	biogenic,in-vitro	CCEBHN
N=C(NC[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cn1	ZINC000225234789	352000962	/nfs/dbraw/zinc/00/09/62/352000962.db2.gz	GYZLKNBKRPOQGY-SECBINFHSA-N	0	3	265.273	0.895	40	30		CCEBHN
NC(=O)C=C(N)NNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000016385213	326849870	/nfs/dbraw/zinc/84/98/70/326849870.db2.gz	WVXPISXXQXMKPD-UHFFFAOYSA-N	0	3	271.664	0.808	40	30		CCEBHN
N=C(N)NC(=N)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000001561460	347956238	/nfs/dbraw/zinc/95/62/38/347956238.db2.gz	ALIACFZWNBCOSI-UHFFFAOYSA-N	0	3	267.161	0.811	40	30	in-vitro	CCEBHN
N[C@H]1CO[S@](=O)O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000004477522	295342484	/nfs/dbraw/zinc/34/24/84/295342484.db2.gz	YVIPBFMAZYCJJP-IRWWLHRVSA-N	0	3	258.255	0.589	40	30		CCEBHN
O=C1C=C(NCCNCCO)C(=O)c2ccccc21	ZINC000104202460	349711999	/nfs/dbraw/zinc/71/19/99/349711999.db2.gz	OFVPQHPTRXUNRK-UHFFFAOYSA-N	0	3	260.293	0.121	40	30		CCEBHN
CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO	ZINC000001552264	347955821	/nfs/dbraw/zinc/95/58/21/347955821.db2.gz	FTSCEGKYKXESFF-XGUBFFRZSA-N	0	3	289.416	0.496	40	30		CCEBHN
CC#C[C@@](O)(C(=O)OC1CCN(C)CC1)c1ccccn1	ZINC000005498665	170104902	/nfs/dbraw/zinc/10/49/02/170104902.db2.gz	FRHRRFHZXFZKJA-INIZCTEOSA-N	0	3	288.347	0.930	40	30		CCEBHN
CN1CCC[C@@H](COc2nc(N)cc(N)c2C#N)C1	ZINC000044018777	348316188	/nfs/dbraw/zinc/31/61/88/348316188.db2.gz	VGZMXKZYNPYQFQ-SECBINFHSA-N	0	3	261.329	0.838	40	30		CCEBHN
C=CCN1CC[C@H]2O[C@@H](C(=O)N3CCOCC3)CC[C@H]21	ZINC000096187248	389048342	/nfs/dbraw/zinc/04/83/42/389048342.db2.gz	VLBMVGWXYOIHRG-MGPQQGTHSA-N	0	3	280.368	0.653	40	30		CCEBHN
N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1	ZINC000026396245	526662352	/nfs/dbraw/zinc/66/23/52/526662352.db2.gz	VFFZWMWTUSXDCB-ZDUSSCGKSA-N	0	3	298.350	0.469	40	30	in-vitro	CCEBHN