smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOc1cccc(CN2CCC(c3[nH]nc4ncccc43)CC2)c1	ZINC000012143433	211304539	/nfs/dbraw/zinc/30/45/39/211304539.db2.gz	QHUZKLXOAXZWTG-UHFFFAOYSA-N	0	3	346.434	3.350	40	30		EGEBHN
N#Cc1cccc(CN2CC[C@]3(C2)CCCN(c2ccccn2)C3)c1	ZINC000096216669	454306915	/nfs/dbraw/zinc/30/69/15/454306915.db2.gz	RDWLVYRULNZMBJ-NRFANRHFSA-N	0	3	332.451	3.446	40	30		EGEBHN
CN(C)c1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1	ZINC000097097965	454405974	/nfs/dbraw/zinc/40/59/74/454405974.db2.gz	WTEMIDALZCMEIL-GFCCVEGCSA-N	0	3	334.301	3.051	40	30		EGEBHN
Cc1c([C@H](C)NC[C@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1	ZINC000195553452	455983980	/nfs/dbraw/zinc/98/39/80/455983980.db2.gz	JKEJZKBTKWTWTI-UGSOOPFHSA-N	0	3	336.395	3.030	40	30		EGEBHN
C=CCn1cc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)c(C)n1	ZINC000012188833	211315816	/nfs/dbraw/zinc/31/58/16/211315816.db2.gz	RMSZSBTXNZGFNP-HXUWFJFHSA-N	0	3	343.446	3.390	40	30		EGEBHN
C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000006856066	257865510	/nfs/dbraw/zinc/86/55/10/257865510.db2.gz	QEAQKDNGPYHKFT-UHFFFAOYSA-N	0	3	327.384	3.361	40	30		EGEBHN
CCOC(=O)C(C#N)[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1	ZINC000001621987	452672388	/nfs/dbraw/zinc/67/23/88/452672388.db2.gz	GADFRXVPCPNYRH-PKOBYXMFSA-N	0	3	346.386	3.432	40	30		EGEBHN
C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC(C#N)C(=O)N2	ZINC000008656032	453219480	/nfs/dbraw/zinc/21/94/80/453219480.db2.gz	PXJJMZRPGBMTIG-ZJEJLWEZSA-N	0	3	326.440	3.137	40	30		EGEBHN
C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000025302264	453764922	/nfs/dbraw/zinc/76/49/22/453764922.db2.gz	GXQSMQDVIZMXGE-RDTXWAMCSA-N	0	3	328.387	3.130	40	30		EGEBHN
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CNC(C)(C)C)c1C#N	ZINC000032797135	453891470	/nfs/dbraw/zinc/89/14/70/453891470.db2.gz	AYXAARAXPBYAPI-UHFFFAOYSA-N	0	3	342.418	3.432	40	30		EGEBHN
C=CCN1CCC[C@@]12CCCN(C(=O)c1cccc3cccnc31)C2	ZINC000096071450	454278407	/nfs/dbraw/zinc/27/84/07/454278407.db2.gz	GNCLBDFLSICPHS-OAQYLSRUSA-N	0	3	335.451	3.491	40	30		EGEBHN
C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(OC)cc1)C2	ZINC000096050009	454272618	/nfs/dbraw/zinc/27/26/18/454272618.db2.gz	OCXZRAOIDNHWTB-HXUWFJFHSA-N	0	3	328.456	3.228	40	30		EGEBHN
C=CCN1CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	ZINC000096071447	454277999	/nfs/dbraw/zinc/27/79/99/454277999.db2.gz	CKWNJAFSXQCNMY-NRFANRHFSA-N	0	3	335.451	3.491	40	30		EGEBHN
C#CCOc1ccccc1CN1CCC(O)(c2ccc(C)cc2)CC1	ZINC000012344676	211353312	/nfs/dbraw/zinc/35/33/12/211353312.db2.gz	KLXDWDFBECKBMS-UHFFFAOYSA-N	0	3	335.447	3.491	40	30		EGEBHN
CCCCCC#C[C@@](O)(C(=O)OC1CCN(C)CC1)c1ccccc1	ZINC000002009180	452683604	/nfs/dbraw/zinc/68/36/04/452683604.db2.gz	HVEHNJGVGBWQOO-NRFANRHFSA-N	0	3	343.467	3.095	40	30		EGEBHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccsc1	ZINC000047011068	454318174	/nfs/dbraw/zinc/31/81/74/454318174.db2.gz	FJXFFPVRYAXEKS-UHFFFAOYSA-N	0	3	341.480	3.143	40	30		EGEBHN
Cc1ccc(CNC(=O)C(C#N)C(=O)CCCc2cccs2)cc1	ZINC000102752359	454519463	/nfs/dbraw/zinc/51/94/63/454519463.db2.gz	NEMYYLQNAJITSZ-KRWDZBQOSA-N	0	3	340.448	3.405	40	30		EGEBHN
O=[N+]([O-])c1ccc(NCCNCC#Cc2ccccc2)c(Cl)c1	ZINC000016451163	453607273	/nfs/dbraw/zinc/60/72/73/453607273.db2.gz	KREPRPUXPIDYEC-UHFFFAOYSA-N	0	3	329.787	3.301	40	30		EGEBHN
N#Cc1cccc(CN2CCC3(CC(Nc4ncccn4)C3)CC2)c1	ZINC000108527593	204265692	/nfs/dbraw/zinc/26/56/92/204265692.db2.gz	UNPBCTNVBVNTJB-UHFFFAOYSA-N	0	3	333.439	3.205	40	30		EGEBHN
CCOC(=O)C(C#N)[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1	ZINC000001621989	452671880	/nfs/dbraw/zinc/67/18/80/452671880.db2.gz	GADFRXVPCPNYRH-HKUYNNGSSA-N	0	3	346.386	3.432	40	30		EGEBHN
C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@H]1c1ccccc1	ZINC000006442209	452944903	/nfs/dbraw/zinc/94/49/03/452944903.db2.gz	VGFYHNWVCSUSBB-KVPLUYHFSA-N	0	3	342.439	3.413	40	30		EGEBHN
N#Cc1cnc(Nc2cccc(CN3CCC(O)CC3)c2)c(Cl)c1	ZINC000079353940	454402370	/nfs/dbraw/zinc/40/23/70/454402370.db2.gz	ZRRPSWVVDVNMQS-UHFFFAOYSA-N	0	3	342.830	3.307	40	30		EGEBHN
N#Cc1cccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c1	ZINC000247634205	455631463	/nfs/dbraw/zinc/63/14/63/455631463.db2.gz	CMUWENPYCUBDHO-PZJWPPBQSA-N	0	3	337.467	3.173	40	30		EGEBHN
C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000249269391	455747067	/nfs/dbraw/zinc/74/70/67/455747067.db2.gz	JYKGSHPXKRJRNN-XJKSGUPXSA-N	0	3	337.383	3.109	40	30		EGEBHN
N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccccc2)CC1	ZINC000052801290	214147677	/nfs/dbraw/zinc/14/76/77/214147677.db2.gz	CJMWZGWPNHVMKT-UHFFFAOYSA-N	0	3	348.450	3.099	40	30		EGEBHN
O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000100965311	454468575	/nfs/dbraw/zinc/46/85/75/454468575.db2.gz	JJFZNGPATRNWJU-SBHYWHNNSA-N	0	3	334.847	3.252	40	30		EGEBHN
Cc1ncsc1CN(C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1	ZINC000225603379	456097792	/nfs/dbraw/zinc/09/77/92/456097792.db2.gz	GPPXODPCJHRTLI-CQSZACIVSA-N	0	3	344.459	3.421	40	30		EGEBHN
CC[NH+](CC)CCNC(=O)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000034240565	520682027	/nfs/dbraw/zinc/68/20/27/520682027.db2.gz	JIIOQUBMHDSXOQ-JCMHNJIXSA-N	0	3	339.439	3.214	40	30		EGEBHN
C/N=C1\S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)N1C	ZINC000013207295	275734619	/nfs/dbraw/zinc/73/46/19/275734619.db2.gz	IAOYRUQXHIFXFE-RUCSPORFSA-N	0	3	326.425	3.021	40	30		EGEBHN
C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@H]1c1ccccc1	ZINC000006482275	452946406	/nfs/dbraw/zinc/94/64/06/452946406.db2.gz	VGFYHNWVCSUSBB-ONCXSQPRSA-N	0	3	342.439	3.413	40	30		EGEBHN
C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000025302267	453764286	/nfs/dbraw/zinc/76/42/86/453764286.db2.gz	GXQSMQDVIZMXGE-KBXCAEBGSA-N	0	3	328.387	3.130	40	30		EGEBHN
C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O	ZINC000409049822	457592038	/nfs/dbraw/zinc/59/20/38/457592038.db2.gz	XTTHTHMBNGDLOE-LFIBNONCSA-N	0	3	337.404	3.159	40	30		EGEBHN
C#CCNC(=O)[C@@H]1Cc2cn(CC=C)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171875	518283582	/nfs/dbraw/zinc/28/35/82/518283582.db2.gz	HQENCHSGLICHFN-OALUTQOASA-N	0	3	349.478	3.178	40	30	biogenic,in-vitro	EGEBHN
CCN1CCN(C[C@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022872256	521686588	/nfs/dbraw/zinc/68/65/88/521686588.db2.gz	MHXZIESENXBTBB-BBWFWOEESA-N	0	3	328.566	3.154	40	30		EGEBHN
Cc1ccc(CNC(=O)C(C#N)C(=O)CCCc2cccs2)cc1	ZINC000102752361	454520015	/nfs/dbraw/zinc/52/00/15/454520015.db2.gz	NEMYYLQNAJITSZ-QGZVFWFLSA-N	0	3	340.448	3.405	40	30		EGEBHN
Cc1ccccc1C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279397028	455864850	/nfs/dbraw/zinc/86/48/50/455864850.db2.gz	UVYSXLJYBJXVCW-JXFKEZNVSA-N	0	3	331.419	3.296	40	30		EGEBHN
CN(C)CC(CN(C)C)C(=O)C=Cc1ccc(Cl)cc1Cl	ZINC000001590145	452670197	/nfs/dbraw/zinc/67/01/97/452670197.db2.gz	JVWIODXMDBGIHQ-SOFGYWHQSA-N	0	3	329.271	3.315	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1	ZINC000096462918	454360552	/nfs/dbraw/zinc/36/05/52/454360552.db2.gz	QISPKAQQRGWRDI-DLBZAZTESA-N	0	3	339.549	3.343	40	30		EGEBHN
Cc1cc(C)c2c(c1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2	ZINC000280130344	455899022	/nfs/dbraw/zinc/89/90/22/455899022.db2.gz	VELJECRSQCBNMW-LJQANCHMSA-N	0	3	343.430	3.442	40	30		EGEBHN
COc1cc(N[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cc(OC)c1	ZINC000332360528	457355891	/nfs/dbraw/zinc/35/58/91/457355891.db2.gz	UXHNQNAJGZMBJB-BFYDXBDKSA-N	0	3	329.444	3.272	40	30		EGEBHN
C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(OC)cc1)C2	ZINC000096050010	454272918	/nfs/dbraw/zinc/27/29/18/454272918.db2.gz	OCXZRAOIDNHWTB-FQEVSTJZSA-N	0	3	328.456	3.228	40	30		EGEBHN
N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1	ZINC000096218893	454307374	/nfs/dbraw/zinc/30/73/74/454307374.db2.gz	YFDZYOXDQRGQLV-MJGOQNOKSA-N	0	3	339.464	3.465	40	30		EGEBHN
N#CC(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccccn1	ZINC000078979048	454347985	/nfs/dbraw/zinc/34/79/85/454347985.db2.gz	MMUSLBVCAJLBCV-PREGVCBESA-N	0	3	339.439	3.123	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2c(F)cccc2OC)CC1	ZINC000096439932	454349438	/nfs/dbraw/zinc/34/94/38/454349438.db2.gz	XBZMBUBNFVFHCT-AWEZNQCLSA-N	0	3	349.450	3.235	40	30		EGEBHN
N#CC(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1	ZINC000102766131	454519925	/nfs/dbraw/zinc/51/99/25/454519925.db2.gz	PYPUQLLKWOYTKB-UONOGXRCSA-N	0	3	338.329	3.054	40	30		EGEBHN
CCCN1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1	ZINC000012629208	273614162	/nfs/dbraw/zinc/61/41/62/273614162.db2.gz	PPSOLDSQUKHSPT-UHFFFAOYSA-N	0	3	333.439	3.200	40	30		EGEBHN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC(=S)C2C#N)cc1	ZINC000005231382	295217935	/nfs/dbraw/zinc/21/79/35/295217935.db2.gz	NMOREFXOAWLKJQ-CJNGLKHVSA-N	0	3	340.448	3.492	40	30		EGEBHN
CN(C)Cc1cc(C(=O)/C=C/c2ccccc2)cc(C[NH+](C)C)c1[O-]	ZINC000016958803	453624299	/nfs/dbraw/zinc/62/42/99/453624299.db2.gz	CCNAPNBLWBUEDH-ZHACJKMWSA-N	0	3	338.451	3.412	40	30		EGEBHN
CN(C)Cc1cc(C(=O)/C=C\c2ccccc2)cc(C[NH+](C)C)c1[O-]	ZINC000031870591	453856399	/nfs/dbraw/zinc/85/63/99/453856399.db2.gz	CCNAPNBLWBUEDH-KHPPLWFESA-N	0	3	338.451	3.412	40	30		EGEBHN
N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1	ZINC000096218888	454306759	/nfs/dbraw/zinc/30/67/59/454306759.db2.gz	YFDZYOXDQRGQLV-IEBWSBKVSA-N	0	3	339.464	3.465	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1	ZINC000097095534	454405564	/nfs/dbraw/zinc/40/55/64/454405564.db2.gz	PIIGDPXXWMGJHP-UHFFFAOYSA-N	0	3	337.807	3.019	40	30		EGEBHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1coc(Br)c1	ZINC000122125142	454509792	/nfs/dbraw/zinc/50/97/92/454509792.db2.gz	JPNPOORSFGABJK-SNVBAGLBSA-N	0	3	344.168	3.419	40	30		EGEBHN
C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000249269390	455747146	/nfs/dbraw/zinc/74/71/46/455747146.db2.gz	JYKGSHPXKRJRNN-CZUORRHYSA-N	0	3	337.383	3.109	40	30		EGEBHN
C=CCN1CCC(NC(=O)c2ccc(-c3ccco3)nc2C)CC1	ZINC000171716735	526448504	/nfs/dbraw/zinc/44/85/04/526448504.db2.gz	XLDYSEWGEALBJC-UHFFFAOYSA-N	0	3	325.412	3.030	40	30		EGEBHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2nsnc2c1	ZINC000390833143	527117437	/nfs/dbraw/zinc/11/74/37/527117437.db2.gz	CUHOYHRACMSNHD-LLVKDONJSA-N	0	3	333.376	3.068	40	30		EGEBHN
Cc1cc(F)ccc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279936965	455878221	/nfs/dbraw/zinc/87/82/21/455878221.db2.gz	GCHIIGOWYNOMRJ-SFHVURJKSA-N	0	3	335.382	3.047	40	30		EGEBHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1	ZINC000008254590	546511171	/nfs/dbraw/zinc/51/11/71/546511171.db2.gz	KLGGQMZIAIBQCI-XYJFISCASA-N	0	3	329.513	3.486	40	30	biogenic,in-vitro	EGEBHN
N#CC(C(=O)c1cnc2c(cnn2C2CCCC2)c1)c1ccccn1	ZINC000096402617	454322112	/nfs/dbraw/zinc/32/21/12/454322112.db2.gz	KCFBDZQIJMTERO-INIZCTEOSA-N	0	3	331.379	3.431	40	30		EGEBHN
C[C@@H](Oc1ccccc1Br)C(=O)C(C#N)c1ccccn1	ZINC000079029126	454357606	/nfs/dbraw/zinc/35/76/06/454357606.db2.gz	OYAAOFWNPGIAHJ-VXGBXAGGSA-N	0	3	345.196	3.488	40	30		EGEBHN
N#Cc1cccc(CN2CCC3(C[C@H](Nc4ccccn4)CO3)CC2)c1	ZINC000096221295	283205956	/nfs/dbraw/zinc/20/59/56/283205956.db2.gz	HQFACLBZJAQRCZ-IBGZPJMESA-N	0	3	348.450	3.189	40	30		EGEBHN
C[C@@H](Oc1ccccc1Br)C(=O)C(C#N)c1ccccn1	ZINC000079029122	454358216	/nfs/dbraw/zinc/35/82/16/454358216.db2.gz	OYAAOFWNPGIAHJ-NEPJUHHUSA-N	0	3	345.196	3.488	40	30		EGEBHN
N#Cc1cccc(CN2CCC3(CCCN(CC4CC4)C3=O)CC2)c1	ZINC000108535613	454802238	/nfs/dbraw/zinc/80/22/38/454802238.db2.gz	ZCSIEHCYPIUZSV-UHFFFAOYSA-N	0	3	337.467	3.173	40	30		EGEBHN
C[C@@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@@H](C)CN1C	ZINC000003897065	210087492	/nfs/dbraw/zinc/08/74/92/210087492.db2.gz	VECVVFWDMWKASS-RWDYHCEOSA-N	0	3	339.233	3.322	40	30		EGEBHN
C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@@H]1c1ccccc1	ZINC000001608392	300854033	/nfs/dbraw/zinc/85/40/33/300854033.db2.gz	KSSSPCFEKYTAQE-RNIPGJKVSA-N	0	3	328.412	3.023	40	30		EGEBHN
C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@@H]1c1ccccc1	ZINC000001608393	452670676	/nfs/dbraw/zinc/67/06/76/452670676.db2.gz	KSSSPCFEKYTAQE-PBWTXFEYSA-N	0	3	328.412	3.023	40	30		EGEBHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1	ZINC000025308522	453765254	/nfs/dbraw/zinc/76/52/54/453765254.db2.gz	LEYNECFAONOHFO-UYAOXDASSA-N	0	3	340.398	3.274	40	30		EGEBHN
C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2	ZINC000096056889	454273871	/nfs/dbraw/zinc/27/38/71/454273871.db2.gz	WSIXJTYGUKJGEB-WOJBJXKFSA-N	0	3	331.456	3.269	40	30		EGEBHN
N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)c(F)c1	ZINC000096483043	454365373	/nfs/dbraw/zinc/36/53/73/454365373.db2.gz	RPKXJHFUXDUODN-UHFFFAOYSA-N	0	3	339.414	3.266	40	30		EGEBHN
C=CCn1c(C)c(C[N@@H+]2CCc3nc(C)[n-]c(=O)c3C2)c2ccccc21	ZINC000072389562	216189384	/nfs/dbraw/zinc/18/93/84/216189384.db2.gz	HHSIPESRRFBOEP-UHFFFAOYSA-N	0	3	348.450	3.086	40	30		EGEBHN
C=CCn1c(C)c(C[N@H+]2CCc3nc(C)[n-]c(=O)c3C2)c2ccccc21	ZINC000072389562	216189386	/nfs/dbraw/zinc/18/93/86/216189386.db2.gz	HHSIPESRRFBOEP-UHFFFAOYSA-N	0	3	348.450	3.086	40	30		EGEBHN
N#CC(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1	ZINC000102766126	303165675	/nfs/dbraw/zinc/16/56/75/303165675.db2.gz	PYPUQLLKWOYTKB-ZIAGYGMSSA-N	0	3	338.329	3.054	40	30		EGEBHN
CCOc1ccc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)cc1	ZINC000020637396	453667744	/nfs/dbraw/zinc/66/77/44/453667744.db2.gz	JBMAANWKNVCDBM-YOEHRIQHSA-N	0	3	332.363	3.116	40	30		EGEBHN
Cc1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(C#N)n1C	ZINC000096489521	454368361	/nfs/dbraw/zinc/36/83/61/454368361.db2.gz	GSRYPSJGOQQJAQ-MRXNPFEDSA-N	0	3	336.439	3.056	40	30		EGEBHN
Cc1cc(F)ccc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279936962	455877662	/nfs/dbraw/zinc/87/76/62/455877662.db2.gz	GCHIIGOWYNOMRJ-GOSISDBHSA-N	0	3	335.382	3.047	40	30		EGEBHN
CCN1CCN(C[C@@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022872262	521686287	/nfs/dbraw/zinc/68/62/87/521686287.db2.gz	MHXZIESENXBTBB-YESZJQIVSA-N	0	3	328.566	3.154	40	30		EGEBHN
C=CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1	ZINC000001608971	209765913	/nfs/dbraw/zinc/76/59/13/209765913.db2.gz	ADPISLYRPJFQFP-UHFFFAOYSA-N	0	3	339.435	3.238	40	30		EGEBHN
C=CCn1cc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)c(C)n1	ZINC000012188832	211315419	/nfs/dbraw/zinc/31/54/19/211315419.db2.gz	RMSZSBTXNZGFNP-FQEVSTJZSA-N	0	3	343.446	3.390	40	30		EGEBHN
Cc1oc(C#N)cc1C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21	ZINC000252483220	279271829	/nfs/dbraw/zinc/27/18/29/279271829.db2.gz	DXNYIEKPUQWIBQ-IEBWSBKVSA-N	0	3	335.407	3.216	40	30		EGEBHN
COc1cccc([C@@]2(O)CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568921	453472666	/nfs/dbraw/zinc/47/26/66/453472666.db2.gz	LAKGZRJWGZDTEI-NYVOZVTQSA-N	0	3	348.446	3.296	40	30		EGEBHN
COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1cccn1C	ZINC000096419551	454335950	/nfs/dbraw/zinc/33/59/50/454335950.db2.gz	IJKMPHNQLHXNLG-KRWDZBQOSA-N	0	3	325.412	3.121	40	30		EGEBHN
C[C@@]12CC[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC(C#N)C(=O)N2	ZINC000104229119	454579590	/nfs/dbraw/zinc/57/95/90/454579590.db2.gz	PXJJMZRPGBMTIG-HYZWYNSYSA-N	0	3	326.440	3.137	40	30		EGEBHN
Cc1ccccc1C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279397041	455864373	/nfs/dbraw/zinc/86/43/73/455864373.db2.gz	UVYSXLJYBJXVCW-UZLBHIALSA-N	0	3	331.419	3.296	40	30		EGEBHN
C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000040013636	213249594	/nfs/dbraw/zinc/24/95/94/213249594.db2.gz	GXQSMQDVIZMXGE-KSSFIOAISA-N	0	3	328.387	3.130	40	30		EGEBHN
CCN1CCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2C)CC1	ZINC000021759542	212247475	/nfs/dbraw/zinc/24/74/75/212247475.db2.gz	RJHDKIXHGIDCLA-UHFFFAOYSA-N	0	3	348.450	3.261	40	30		EGEBHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1	ZINC000008299991	453187975	/nfs/dbraw/zinc/18/79/75/453187975.db2.gz	OOHPTNLYNSKWCG-DUVNUKRYSA-N	0	3	338.373	3.332	40	30	biogenic,in-vitro	EGEBHN
N#Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1	ZINC000023128068	212352695	/nfs/dbraw/zinc/35/26/95/212352695.db2.gz	DYLINOWEUSMJMI-UHFFFAOYSA-N	0	3	339.464	3.262	40	30		EGEBHN
CCCCCC#C[C@](O)(C(=O)OC1CCN(C)CC1)c1ccccc1	ZINC000001702255	452675520	/nfs/dbraw/zinc/67/55/20/452675520.db2.gz	HVEHNJGVGBWQOO-OAQYLSRUSA-N	0	3	343.467	3.095	40	30		EGEBHN
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1	ZINC000084116326	453970520	/nfs/dbraw/zinc/97/05/20/453970520.db2.gz	XLTFLMCXRPMORA-INIZCTEOSA-N	0	3	339.464	3.214	40	30		EGEBHN
C[C@@H](NCCOc1ccccc1C#N)c1ccc2c(c1)CCC(=O)N2	ZINC000096491057	454368998	/nfs/dbraw/zinc/36/89/98/454368998.db2.gz	WWNVGVZZDXIMRT-CQSZACIVSA-N	0	3	335.407	3.173	40	30		EGEBHN
CN(C)c1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)ccn1	ZINC000097097964	454406599	/nfs/dbraw/zinc/40/65/99/454406599.db2.gz	WTEMIDALZCMEIL-LBPRGKRZSA-N	0	3	334.301	3.051	40	30		EGEBHN
CN(c1ccc(C#N)cc1F)C1CCN(CCc2ccccn2)CC1	ZINC000195575146	455987793	/nfs/dbraw/zinc/98/77/93/455987793.db2.gz	YADQTDRMTDCISU-UHFFFAOYSA-N	0	3	338.430	3.236	40	30		EGEBHN
CCN1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000000353102	452568529	/nfs/dbraw/zinc/56/85/29/452568529.db2.gz	YAEGMRYWHJJABI-HMMYKYKNSA-N	0	3	338.411	3.487	40	30		EGEBHN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(N(C)C)cc1	ZINC000019878508	453659705	/nfs/dbraw/zinc/65/97/05/453659705.db2.gz	ACACPGYGMINGMI-CCULFSDZSA-N	0	3	349.434	3.437	40	30		EGEBHN
Cc1ccc(S(=O)(=O)OC[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000034464829	525623206	/nfs/dbraw/zinc/62/32/06/525623206.db2.gz	RBXGJNNTFJVRQU-SFHVURJKSA-N	0	3	345.464	3.222	40	30		EGEBHN
Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)c1	ZINC000024926627	453751809	/nfs/dbraw/zinc/75/18/09/453751809.db2.gz	YNLKDDLLRCWVSO-UHFFFAOYSA-N	0	3	348.450	3.018	40	30		EGEBHN
C=CCN1CCC[C@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	ZINC000096214796	454305509	/nfs/dbraw/zinc/30/55/09/454305509.db2.gz	BHZLWAUEAVBSHW-IBGZPJMESA-N	0	3	329.444	3.344	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CC1	ZINC000096462921	454360675	/nfs/dbraw/zinc/36/06/75/454360675.db2.gz	QISPKAQQRGWRDI-IAGOWNOFSA-N	0	3	339.549	3.343	40	30		EGEBHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)CC1	ZINC000081000569	454668044	/nfs/dbraw/zinc/66/80/44/454668044.db2.gz	NPVCWVCIENSGHL-KRWDZBQOSA-N	0	3	347.462	3.271	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)N(C)CC2(c3ccccc3)CC2)CC1	ZINC000188565722	456085695	/nfs/dbraw/zinc/08/56/95/456085695.db2.gz	WUUQEYTXBZPAKC-UHFFFAOYSA-N	0	3	341.499	3.400	40	30		EGEBHN
C[C@H]1CN(C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1	ZINC000003897066	210087461	/nfs/dbraw/zinc/08/74/61/210087461.db2.gz	VECVVFWDMWKASS-WCFDQUBMSA-N	0	3	339.233	3.322	40	30		EGEBHN
C=CC[N-]C(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccccc1	ZINC000013101354	453445304	/nfs/dbraw/zinc/44/53/04/453445304.db2.gz	HVVNPFNMKZIMKS-UHFFFAOYSA-O	0	3	337.877	3.403	40	30		EGEBHN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC(=S)C2C#N)cc1	ZINC000005231380	295217803	/nfs/dbraw/zinc/21/78/03/295217803.db2.gz	NMOREFXOAWLKJQ-BBRMVZONSA-N	0	3	340.448	3.492	40	30		EGEBHN
C[C@@]12CC[C@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC(C#N)C(=O)N2	ZINC000008656034	453220071	/nfs/dbraw/zinc/22/00/71/453220071.db2.gz	PXJJMZRPGBMTIG-AWJRKYLQSA-N	0	3	326.440	3.137	40	30		EGEBHN
Cc1c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(C#N)n1C	ZINC000096489519	454368181	/nfs/dbraw/zinc/36/81/81/454368181.db2.gz	GSRYPSJGOQQJAQ-INIZCTEOSA-N	0	3	336.439	3.056	40	30		EGEBHN
C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@@H]1c1ccccc1	ZINC000001608391	452670586	/nfs/dbraw/zinc/67/05/86/452670586.db2.gz	VGFYHNWVCSUSBB-QGZVKYPTSA-N	0	3	342.439	3.413	40	30		EGEBHN
C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2	ZINC000096056890	454273967	/nfs/dbraw/zinc/27/39/67/454273967.db2.gz	WSIXJTYGUKJGEB-VQTJNVASSA-N	0	3	331.456	3.269	40	30		EGEBHN
N#CC(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1	ZINC000102766129	454519682	/nfs/dbraw/zinc/51/96/82/454519682.db2.gz	PYPUQLLKWOYTKB-KGLIPLIRSA-N	0	3	338.329	3.054	40	30		EGEBHN
Cc1c([C@@H](C)NC[C@@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1	ZINC000195553447	455984354	/nfs/dbraw/zinc/98/43/54/455984354.db2.gz	JKEJZKBTKWTWTI-FZKQIMNGSA-N	0	3	336.395	3.030	40	30		EGEBHN
C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc21	ZINC000008254600	560107848	/nfs/dbraw/zinc/10/78/48/560107848.db2.gz	VJRSPJGLKGDSJB-RYQLBKOJSA-N	0	3	349.503	3.470	40	30	biogenic,in-vitro	EGEBHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2c(F)cccc2OC)CC1	ZINC000096439933	454349730	/nfs/dbraw/zinc/34/97/30/454349730.db2.gz	XBZMBUBNFVFHCT-CQSZACIVSA-N	0	3	349.450	3.235	40	30		EGEBHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1coc(Br)c1	ZINC000122124919	454509780	/nfs/dbraw/zinc/50/97/80/454509780.db2.gz	JPNPOORSFGABJK-JTQLQIEISA-N	0	3	344.168	3.419	40	30		EGEBHN
C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1	ZINC000188691890	456114622	/nfs/dbraw/zinc/11/46/22/456114622.db2.gz	ZWJIQEZVMFXLRZ-AWEZNQCLSA-N	0	3	347.425	3.257	40	30		EGEBHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(CN2CCCCC2=O)CC1	ZINC000072663954	216289830	/nfs/dbraw/zinc/28/98/30/216289830.db2.gz	NBQBYMFZGPLNHB-INIZCTEOSA-N	0	3	325.456	3.344	40	30		EGEBHN
C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCCC3)CCC[C@H]2[C@@H]1c1ccccc1	ZINC000001608390	452670052	/nfs/dbraw/zinc/67/00/52/452670052.db2.gz	VGFYHNWVCSUSBB-RAUXBKROSA-N	0	3	342.439	3.413	40	30		EGEBHN
C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2	ZINC000107751860	454772509	/nfs/dbraw/zinc/77/25/09/454772509.db2.gz	WSIXJTYGUKJGEB-PMACEKPBSA-N	0	3	331.456	3.269	40	30		EGEBHN
Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccncc1	ZINC000409102329	457593619	/nfs/dbraw/zinc/59/36/19/457593619.db2.gz	YVCFRNMHMWMCGR-RGVLZGJSSA-N	0	3	336.355	3.238	40	30		EGEBHN
C[C@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000187697553	236279605	/nfs/dbraw/zinc/27/96/05/236279605.db2.gz	JYKGSHPXKRJRNN-CJNGLKHVSA-N	0	3	337.383	3.109	40	30		EGEBHN
C#CCOc1ccccc1CN1CCC(c2[nH]nc3ncccc32)CC1	ZINC000012143434	211304831	/nfs/dbraw/zinc/30/48/31/211304831.db2.gz	ZPSLWVSDIQHPLM-UHFFFAOYSA-N	0	3	346.434	3.350	40	30		EGEBHN
C=CCc1cc(CN2CCC(c3cc[nH]n3)CC2)cc(OC)c1O	ZINC000092810782	218170704	/nfs/dbraw/zinc/17/07/04/218170704.db2.gz	IMQBDKPNOBCNCA-UHFFFAOYSA-N	0	3	327.428	3.232	40	30		EGEBHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)CC1	ZINC000081000571	257835094	/nfs/dbraw/zinc/83/50/94/257835094.db2.gz	NPVCWVCIENSGHL-QGZVFWFLSA-N	0	3	347.462	3.271	40	30		EGEBHN
Cc1csc(C(C#N)C(=O)c2ccc(OC3CCOCC3)cc2)n1	ZINC000076763916	454034835	/nfs/dbraw/zinc/03/48/35/454034835.db2.gz	OJENVCWXGCXHCL-MRXNPFEDSA-N	0	3	342.420	3.499	40	30		EGEBHN
N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1	ZINC000096218896	454307768	/nfs/dbraw/zinc/30/77/68/454307768.db2.gz	YFDZYOXDQRGQLV-HKUYNNGSSA-N	0	3	339.464	3.465	40	30		EGEBHN
N#Cc1ccc(CN2CCC3(CC(Nc4ncccn4)C3)CC2)cc1	ZINC000108525888	454801936	/nfs/dbraw/zinc/80/19/36/454801936.db2.gz	CUTQOTOQDHVLKJ-UHFFFAOYSA-N	0	3	333.439	3.205	40	30		EGEBHN
C=CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1OCC	ZINC000022075894	519034532	/nfs/dbraw/zinc/03/45/32/519034532.db2.gz	DYWAXIKWPJXWNH-GOSISDBHSA-N	0	3	327.424	3.473	40	30		EGEBHN
CN1CCC(N(C(=O)c2cccc(C#N)c2)c2cccc(F)c2)CC1	ZINC000078996587	217170202	/nfs/dbraw/zinc/17/02/02/217170202.db2.gz	ZDIGUZBOBYNOQE-UHFFFAOYSA-N	0	3	337.398	3.438	40	30		EGEBHN
C[C@@H]1CN(C)[C@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1	ZINC000001501112	452667784	/nfs/dbraw/zinc/66/77/84/452667784.db2.gz	VECVVFWDMWKASS-IJWOGYJESA-N	0	3	339.233	3.322	40	30		EGEBHN
N#CC(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)N1CCCC1	ZINC000102766133	303157783	/nfs/dbraw/zinc/15/77/83/303157783.db2.gz	PYPUQLLKWOYTKB-KBPBESRZSA-N	0	3	338.329	3.054	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(SC)cc2)CC1	ZINC000076994661	454057680	/nfs/dbraw/zinc/05/76/80/454057680.db2.gz	NSPSCUFMSIEVIX-HNNXBMFYSA-N	0	3	348.512	3.333	40	30		EGEBHN
CCN1CCN(C[C@H](S)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1	ZINC000026781462	521687041	/nfs/dbraw/zinc/68/70/41/521687041.db2.gz	MHXZIESENXBTBB-IKGGRYGDSA-N	0	3	328.566	3.154	40	30		EGEBHN
N#Cc1ccc(C2(NCc3ccc4[nH]cnc4c3)CCOCC2)cc1	ZINC000527810803	268212089	/nfs/dbraw/zinc/21/20/89/268212089.db2.gz	JYODUFNOWJMVJK-UHFFFAOYSA-N	0	3	332.407	3.230	40	30		EGEBHN
N#Cc1ccc(C2(NCc3ccc4nc[nH]c4c3)CCOCC2)cc1	ZINC000527810803	268212090	/nfs/dbraw/zinc/21/20/90/268212090.db2.gz	JYODUFNOWJMVJK-UHFFFAOYSA-N	0	3	332.407	3.230	40	30		EGEBHN
C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@H]1c1ccccc1	ZINC000006442206	452945547	/nfs/dbraw/zinc/94/55/47/452945547.db2.gz	KSSSPCFEKYTAQE-OGWHTMIXSA-N	0	3	328.412	3.023	40	30		EGEBHN
C[C@H](NCCOc1ccccc1C#N)c1ccc2c(c1)CCC(=O)N2	ZINC000096491055	454368829	/nfs/dbraw/zinc/36/88/29/454368829.db2.gz	WWNVGVZZDXIMRT-AWEZNQCLSA-N	0	3	335.407	3.173	40	30		EGEBHN
C[C@H](c1ccc(C#N)cc1)N1CCC(CN2CCCCC2=O)CC1	ZINC000072663955	202365522	/nfs/dbraw/zinc/36/55/22/202365522.db2.gz	NBQBYMFZGPLNHB-MRXNPFEDSA-N	0	3	325.456	3.344	40	30		EGEBHN
N#Cc1cccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c1	ZINC000108530936	204265055	/nfs/dbraw/zinc/26/50/55/204265055.db2.gz	CMUWENPYCUBDHO-TZIWHRDSSA-N	0	3	337.467	3.173	40	30		EGEBHN
N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)c1	ZINC000096216027	454306228	/nfs/dbraw/zinc/30/62/28/454306228.db2.gz	FFUNQSWRYCVFTC-KFKAGJAMSA-N	0	3	340.448	3.146	40	30		EGEBHN
COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1cccn1C	ZINC000096419552	454335056	/nfs/dbraw/zinc/33/50/56/454335056.db2.gz	IJKMPHNQLHXNLG-QGZVFWFLSA-N	0	3	325.412	3.121	40	30		EGEBHN
COc1cc(N[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc(OC)c1	ZINC000332360529	457356144	/nfs/dbraw/zinc/35/61/44/457356144.db2.gz	UXHNQNAJGZMBJB-INMHGKMJSA-N	0	3	329.444	3.272	40	30		EGEBHN
C=CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1OCC	ZINC000022075895	519034453	/nfs/dbraw/zinc/03/44/53/519034453.db2.gz	DYWAXIKWPJXWNH-SFHVURJKSA-N	0	3	327.424	3.473	40	30		EGEBHN
CCN1CCN(C[C@H](S)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1	ZINC000026781459	521687128	/nfs/dbraw/zinc/68/71/28/521687128.db2.gz	MHXZIESENXBTBB-ZACQAIPSSA-N	0	3	328.566	3.154	40	30		EGEBHN
Cc1cccc2c1nc1n2[C@@H](CNCc2ccc(C#N)cc2)COC1	ZINC000096112640	454286660	/nfs/dbraw/zinc/28/66/60/454286660.db2.gz	IQXAONAWWFQZRU-KRWDZBQOSA-N	0	3	332.407	3.078	40	30	biogenic,in-vitro	EGEBHN
C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(SC)c1	ZINC000008254614	576116066	/nfs/dbraw/zinc/11/60/66/576116066.db2.gz	WZUGEQTVBPESNO-OFQRWUPVSA-N	0	3	345.537	3.039	40	30	biogenic,in-vitro	EGEBHN
C=CCN1CCNC[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O	ZINC000257344955	201192365	/nfs/dbraw/zinc/19/23/65/201192365.db2.gz	ZZJCPTMTOZJMJF-GOSISDBHSA-N	0	3	338.426	3.269	40	30		EGEBHN
O=C1c2ccccc2C(=O)C1=C1C=CN(CCCN2CCCC2)C=C1	ZINC000002024824	452683234	/nfs/dbraw/zinc/68/32/34/452683234.db2.gz	LZOCJCIRWBLAFZ-UHFFFAOYSA-N	0	3	334.419	3.191	40	30		EGEBHN
COc1cccc([C@]2(O)CC[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568920	453471930	/nfs/dbraw/zinc/47/19/30/453471930.db2.gz	LAKGZRJWGZDTEI-BVYCBKJFSA-N	0	3	348.446	3.296	40	30		EGEBHN
N#Cc1cccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)c1	ZINC000096255159	454313140	/nfs/dbraw/zinc/31/31/40/454313140.db2.gz	FMNRNZWSDQUUER-UHFFFAOYSA-N	0	3	330.391	3.209	40	30		EGEBHN
Cc1ccccc1C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279397037	455864432	/nfs/dbraw/zinc/86/44/32/455864432.db2.gz	UVYSXLJYBJXVCW-OXQOHEQNSA-N	0	3	331.419	3.296	40	30		EGEBHN
Cc1c([C@@H](C)NC[C@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1	ZINC000195553451	455984309	/nfs/dbraw/zinc/98/43/09/455984309.db2.gz	JKEJZKBTKWTWTI-ACJLOTCBSA-N	0	3	336.395	3.030	40	30		EGEBHN
CCN1CCN(C[C@@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022863959	521684840	/nfs/dbraw/zinc/68/48/40/521684840.db2.gz	MHXZIESENXBTBB-GVDBMIGSSA-N	0	3	328.566	3.154	40	30		EGEBHN
N=C(N)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000006882691	453003559	/nfs/dbraw/zinc/00/35/59/453003559.db2.gz	JHZKWRAHAGSAAA-DNTJNYDQSA-N	0	3	337.210	3.389	40	30		EGEBHN
CN(C)CC(CN(C)C)C(=O)C=Cc1ccc(Cl)cc1Cl	ZINC000017142562	453630273	/nfs/dbraw/zinc/63/02/73/453630273.db2.gz	JVWIODXMDBGIHQ-VURMDHGXSA-N	0	3	329.271	3.315	40	30		EGEBHN
Cc1csc(C(C#N)C(=O)c2ccc(OC3CCOCC3)cc2)n1	ZINC000076763912	454034330	/nfs/dbraw/zinc/03/43/30/454034330.db2.gz	OJENVCWXGCXHCL-INIZCTEOSA-N	0	3	342.420	3.499	40	30		EGEBHN
N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1	ZINC000096218890	454307084	/nfs/dbraw/zinc/30/70/84/454307084.db2.gz	YFDZYOXDQRGQLV-PKOBYXMFSA-N	0	3	339.464	3.465	40	30		EGEBHN
C=CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1	ZINC000188691913	456115512	/nfs/dbraw/zinc/11/55/12/456115512.db2.gz	ZWJIQEZVMFXLRZ-CQSZACIVSA-N	0	3	347.425	3.257	40	30		EGEBHN
CCN1CCN(C[C@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1	ZINC000022872259	521687178	/nfs/dbraw/zinc/68/71/78/521687178.db2.gz	MHXZIESENXBTBB-ULQDDVLXSA-N	0	3	328.566	3.154	40	30		EGEBHN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC(=S)C2C#N)cc1	ZINC000005231367	295246741	/nfs/dbraw/zinc/24/67/41/295246741.db2.gz	NMOREFXOAWLKJQ-XJKSGUPXSA-N	0	3	340.448	3.492	40	30		EGEBHN
Cc1nc(N2CCCCC2)cc([N-]N=Cc2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000004595619	452809937	/nfs/dbraw/zinc/80/99/37/452809937.db2.gz	OUYPCFAKTGEUPQ-LDADJPATSA-N	0	3	340.387	3.130	40	30		EGEBHN
CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(F)c(F)c1	ZINC000044438813	454101095	/nfs/dbraw/zinc/10/10/95/454101095.db2.gz	LEFNARWMTWQMGF-UHFFFAOYSA-N	0	3	329.350	3.297	40	30		EGEBHN
N#Cc1ccc2[nH]c(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)nc2c1	ZINC000096112281	454287221	/nfs/dbraw/zinc/28/72/21/454287221.db2.gz	VLRVNSGZEHQTOX-QAPCUYQASA-N	0	3	342.418	3.306	40	30	biogenic,in-vitro	EGEBHN
COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCc3ccccc32)cc1	ZINC000102752389	454519936	/nfs/dbraw/zinc/51/99/36/454519936.db2.gz	VSFSLXWXORNDSR-BEFAXECRSA-N	0	3	348.402	3.463	40	30		EGEBHN
N#Cc1cccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)c1	ZINC000247634199	455631536	/nfs/dbraw/zinc/63/15/36/455631536.db2.gz	CMUWENPYCUBDHO-FPOVZHCZSA-N	0	3	337.467	3.173	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[C@H](SCC)C2)CC1	ZINC000096462919	454360119	/nfs/dbraw/zinc/36/01/19/454360119.db2.gz	QISPKAQQRGWRDI-IRXDYDNUSA-N	0	3	339.549	3.343	40	30		EGEBHN
CCOC(=O)C(C#N)[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1	ZINC000001621988	452671383	/nfs/dbraw/zinc/67/13/83/452671383.db2.gz	GADFRXVPCPNYRH-IEBWSBKVSA-N	0	3	346.386	3.432	40	30		EGEBHN
COc1cccc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568919	453473013	/nfs/dbraw/zinc/47/30/13/453473013.db2.gz	LAKGZRJWGZDTEI-COPCDDAFSA-N	0	3	348.446	3.296	40	30		EGEBHN
Cc1cc(C)c2c(c1)CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2	ZINC000280130343	455899154	/nfs/dbraw/zinc/89/91/54/455899154.db2.gz	VELJECRSQCBNMW-IBGZPJMESA-N	0	3	343.430	3.442	40	30		EGEBHN
Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1	ZINC000225603408	456097479	/nfs/dbraw/zinc/09/74/79/456097479.db2.gz	GPPXODPCJHRTLI-AWEZNQCLSA-N	0	3	344.459	3.421	40	30		EGEBHN
C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(Cc3cccc(C#N)c3)C1)C2	ZINC000020503481	212141555	/nfs/dbraw/zinc/14/15/55/212141555.db2.gz	SASMTJDFDAHECY-AMBXGICCSA-N	0	3	345.446	3.372	40	30	biogenic,in-vitro	EGEBHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000008300044	453187311	/nfs/dbraw/zinc/18/73/11/453187311.db2.gz	UVGODZFGOFTLTJ-OFQRWUPVSA-N	0	3	331.485	3.426	40	30	biogenic,in-vitro	EGEBHN
Cc1sc(NC(=O)CN(C(C)C)C2CCOCC2)c(C#N)c1C	ZINC000096455912	454358366	/nfs/dbraw/zinc/35/83/66/454358366.db2.gz	RKJHVFCAGPDJTL-UHFFFAOYSA-N	0	3	335.473	3.065	40	30		EGEBHN
N#CC1(CCCN2CC[C@H](Oc3cccc(F)c3)C2)CCOCC1	ZINC000252490438	455812276	/nfs/dbraw/zinc/81/22/76/455812276.db2.gz	KTLDMWVWJZGKAU-SFHVURJKSA-N	0	3	332.419	3.379	40	30		EGEBHN
N#Cc1cccc(CN2CC[C@@]3(C2)CCCN(c2ccccn2)C3)c1	ZINC000096216665	454307063	/nfs/dbraw/zinc/30/70/63/454307063.db2.gz	RDWLVYRULNZMBJ-OAQYLSRUSA-N	0	3	332.451	3.446	40	30		EGEBHN
C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000187697530	534084968	/nfs/dbraw/zinc/08/49/68/534084968.db2.gz	JYKGSHPXKRJRNN-BBRMVZONSA-N	0	3	337.383	3.109	40	30		EGEBHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)cc1	ZINC000025308526	453765521	/nfs/dbraw/zinc/76/55/21/453765521.db2.gz	LEYNECFAONOHFO-AZUAARDMSA-N	0	3	340.398	3.274	40	30		EGEBHN
C=CCN1C(=O)CC[C@]12CCCN(Cc1scnc1C)[C@H]2CC	ZINC000096038515	454265853	/nfs/dbraw/zinc/26/58/53/454265853.db2.gz	DBHCEGKKRZEEGF-WMZOPIPTSA-N	0	3	333.501	3.373	40	30		EGEBHN
C=CCN1CCC[C@@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	ZINC000096214798	454306208	/nfs/dbraw/zinc/30/62/08/454306208.db2.gz	BHZLWAUEAVBSHW-LJQANCHMSA-N	0	3	329.444	3.344	40	30		EGEBHN
Cc1c(C#N)cccc1NC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000181081550	533730574	/nfs/dbraw/zinc/73/05/74/533730574.db2.gz	MBDWVTXLVNIHKO-UHFFFAOYSA-N	0	3	349.438	3.300	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CC1	ZINC000096462922	454360246	/nfs/dbraw/zinc/36/02/46/454360246.db2.gz	QISPKAQQRGWRDI-SJORKVTESA-N	0	3	339.549	3.343	40	30		EGEBHN
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1	ZINC000084116327	453970470	/nfs/dbraw/zinc/97/04/70/453970470.db2.gz	XLTFLMCXRPMORA-MRXNPFEDSA-N	0	3	339.464	3.214	40	30		EGEBHN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(N(C)C)cc1	ZINC000019878510	453659778	/nfs/dbraw/zinc/65/97/78/453659778.db2.gz	ACACPGYGMINGMI-BOURKTIISA-N	0	3	349.434	3.437	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2)CC1	ZINC000096422011	454336577	/nfs/dbraw/zinc/33/65/77/454336577.db2.gz	ZTNRPNHQDWCGAO-UHFFFAOYSA-N	0	3	339.443	3.034	40	30		EGEBHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(F)cc2)cc1	ZINC000245237501	243100209	/nfs/dbraw/zinc/10/02/09/243100209.db2.gz	LEYNECFAONOHFO-ICSRJNTNSA-N	0	3	340.398	3.274	40	30		EGEBHN
COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCc3ccccc32)cc1	ZINC000102752390	454520002	/nfs/dbraw/zinc/52/00/02/454520002.db2.gz	VSFSLXWXORNDSR-DNVCBOLYSA-N	0	3	348.402	3.463	40	30		EGEBHN
N#Cc1csc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1	ZINC000176943136	454802061	/nfs/dbraw/zinc/80/20/61/454802061.db2.gz	SHJXKDVONDMXSW-UHFFFAOYSA-N	0	3	339.464	3.057	40	30		EGEBHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2SC)CC1	ZINC000252487674	455810511	/nfs/dbraw/zinc/81/05/11/455810511.db2.gz	HZKKEENOJNVRLN-CQSZACIVSA-N	0	3	333.501	3.419	40	30		EGEBHN
CCOc1ccc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)cc1	ZINC000020637391	453667454	/nfs/dbraw/zinc/66/74/54/453667454.db2.gz	JBMAANWKNVCDBM-PBHICJAKSA-N	0	3	332.363	3.116	40	30		EGEBHN
C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	ZINC000096071446	454279005	/nfs/dbraw/zinc/27/90/05/454279005.db2.gz	CKWNJAFSXQCNMY-OAQYLSRUSA-N	0	3	335.451	3.491	40	30		EGEBHN
Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(C#N)cc1)COC3	ZINC000096112826	281163219	/nfs/dbraw/zinc/16/32/19/281163219.db2.gz	OLEVFKGJLIHGBN-KRWDZBQOSA-N	0	3	332.407	3.078	40	30	biogenic,in-vitro	EGEBHN
CCOc1ccc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)cc1	ZINC000020637395	453667858	/nfs/dbraw/zinc/66/78/58/453667858.db2.gz	JBMAANWKNVCDBM-WMLDXEAASA-N	0	3	332.363	3.116	40	30		EGEBHN
COc1cccc([C@]2(O)CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)c1	ZINC000229941493	536915796	/nfs/dbraw/zinc/91/57/96/536915796.db2.gz	LAKGZRJWGZDTEI-VLCRHTCISA-N	0	3	348.446	3.296	40	30		EGEBHN
C=CCN(CC=C)C[C@](C)(O)CNc1cc(OC)cc2cccnc21	ZINC000005929806	452909485	/nfs/dbraw/zinc/90/94/85/452909485.db2.gz	QNPVIFHDOPEWTR-HXUWFJFHSA-N	0	3	341.455	3.080	40	30		EGEBHN
C=CCN1Cc2ccccc2C2(CCN(c3ccc(C)nn3)CC2)C1	ZINC000096079538	454279970	/nfs/dbraw/zinc/27/99/70/454279970.db2.gz	OAZCZZQOWOIUMI-UHFFFAOYSA-N	0	3	334.467	3.325	40	30		EGEBHN
Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(C#N)cc2)COC1	ZINC000096112806	454287137	/nfs/dbraw/zinc/28/71/37/454287137.db2.gz	YEJCOWCUOXYOEX-KRWDZBQOSA-N	0	3	332.407	3.078	40	30	biogenic,in-vitro	EGEBHN
C[C@H](Oc1ccccc1Br)C(=O)C(C#N)c1ccccn1	ZINC000079029124	454358229	/nfs/dbraw/zinc/35/82/29/454358229.db2.gz	OYAAOFWNPGIAHJ-NWDGAFQWSA-N	0	3	345.196	3.488	40	30		EGEBHN
Cc1ccc(S(=O)(=O)OC[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000034464827	525621791	/nfs/dbraw/zinc/62/17/91/525621791.db2.gz	RBXGJNNTFJVRQU-GOSISDBHSA-N	0	3	345.464	3.222	40	30		EGEBHN
COc1cc(N[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000332360531	457355836	/nfs/dbraw/zinc/35/58/36/457355836.db2.gz	UXHNQNAJGZMBJB-ZMSDIMECSA-N	0	3	329.444	3.272	40	30		EGEBHN
C=CCN(C)C(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049172006	518742182	/nfs/dbraw/zinc/74/21/82/518742182.db2.gz	AJFYYRCSNCIXFC-ROUUACIJSA-N	0	3	325.456	3.414	40	30	biogenic,in-vitro	EGEBHN
C=CCN(CC=C)C[C@@](C)(O)CNc1cc(OC)cc2cccnc21	ZINC000001656143	518771660	/nfs/dbraw/zinc/77/16/60/518771660.db2.gz	QNPVIFHDOPEWTR-FQEVSTJZSA-N	0	3	341.455	3.080	40	30		EGEBHN
C[C@H](Oc1ccccc1Br)C(=O)C(C#N)c1ccccn1	ZINC000079029120	454357483	/nfs/dbraw/zinc/35/74/83/454357483.db2.gz	OYAAOFWNPGIAHJ-RYUDHWBXSA-N	0	3	345.196	3.488	40	30		EGEBHN
N#Cc1ccc(N2CCC(NCc3sccc3Cl)CC2)nc1	ZINC000225609925	456097697	/nfs/dbraw/zinc/09/76/97/456097697.db2.gz	IBIHIGHCPDEFBC-UHFFFAOYSA-N	0	3	332.860	3.427	40	30		EGEBHN
N#Cc1cccc(CN2CCC3(C[C@@H](Nc4ccccn4)CO3)CC2)c1	ZINC000096221293	454309111	/nfs/dbraw/zinc/30/91/11/454309111.db2.gz	HQFACLBZJAQRCZ-LJQANCHMSA-N	0	3	348.450	3.189	40	30		EGEBHN
N#Cc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c1	ZINC000108530939	454801142	/nfs/dbraw/zinc/80/11/42/454801142.db2.gz	CMUWENPYCUBDHO-CTNGQTDRSA-N	0	3	337.467	3.173	40	30		EGEBHN
Cc1c([C@H](C)NC[C@@H](O)c2ccco2)cnn1-c1ccc(C#N)cc1	ZINC000195553449	455983505	/nfs/dbraw/zinc/98/35/05/455983505.db2.gz	JKEJZKBTKWTWTI-SCLBCKFNSA-N	0	3	336.395	3.030	40	30		EGEBHN
C=CCn1cc(CN2CCCN(c3ccc(OC)cc3)CC2)c(C)n1	ZINC000019552308	212040362	/nfs/dbraw/zinc/04/03/62/212040362.db2.gz	VXLLUVJOXJTYNC-UHFFFAOYSA-N	0	3	340.471	3.098	40	30		EGEBHN
CCOc1ccc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)cc1	ZINC000020637388	453667935	/nfs/dbraw/zinc/66/79/35/453667935.db2.gz	JBMAANWKNVCDBM-RHSMWYFYSA-N	0	3	332.363	3.116	40	30		EGEBHN
N=C(N)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000041224007	453960476	/nfs/dbraw/zinc/96/04/76/453960476.db2.gz	IMOYBTJTQDXXCM-DNTJNYDQSA-N	0	3	337.210	3.389	40	30		EGEBHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)CC1	ZINC000076994663	454057936	/nfs/dbraw/zinc/05/79/36/454057936.db2.gz	NSPSCUFMSIEVIX-OAHLLOKOSA-N	0	3	348.512	3.333	40	30		EGEBHN
CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCNCC3)o2)cc1	ZINC000036629193	213105629	/nfs/dbraw/zinc/10/56/29/213105629.db2.gz	HPZOBDVMFSHNQI-RMKNXTFCSA-N	0	3	336.439	3.424	40	30		EGEBHN
C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCCC3)CCC[C@H]2[C@H]1c1ccccc1	ZINC000006482273	452947493	/nfs/dbraw/zinc/94/74/93/452947493.db2.gz	KSSSPCFEKYTAQE-QFHJOOASSA-N	0	3	328.412	3.023	40	30		EGEBHN
N#Cc1cccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)c1	ZINC000096218523	454307813	/nfs/dbraw/zinc/30/78/13/454307813.db2.gz	RFHTWPWJVREYBS-BHIYHBOVSA-N	0	3	340.448	3.146	40	30		EGEBHN
COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCc3ccccc32)cc1	ZINC000102752387	454519257	/nfs/dbraw/zinc/51/92/57/454519257.db2.gz	VSFSLXWXORNDSR-HNAYVOBHSA-N	0	3	348.402	3.463	40	30		EGEBHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(F)cc2)cc1	ZINC000245237502	243100726	/nfs/dbraw/zinc/10/07/26/243100726.db2.gz	LEYNECFAONOHFO-QUCCMNQESA-N	0	3	340.398	3.274	40	30		EGEBHN
CCOC(=O)C(C#N)[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1	ZINC000001621990	452672094	/nfs/dbraw/zinc/67/20/94/452672094.db2.gz	GADFRXVPCPNYRH-MJGOQNOKSA-N	0	3	346.386	3.432	40	30		EGEBHN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC(=S)C2C#N)cc1	ZINC000005231369	452850480	/nfs/dbraw/zinc/85/04/80/452850480.db2.gz	NMOREFXOAWLKJQ-CZUORRHYSA-N	0	3	340.448	3.492	40	30		EGEBHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(F)c1	ZINC000047011046	454317936	/nfs/dbraw/zinc/31/79/36/454317936.db2.gz	DYTRTLZLHMUEFN-UHFFFAOYSA-N	0	3	343.377	3.040	40	30		EGEBHN
C=CCN1CCNC[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O	ZINC000257344956	455896959	/nfs/dbraw/zinc/89/69/59/455896959.db2.gz	ZZJCPTMTOZJMJF-SFHVURJKSA-N	0	3	338.426	3.269	40	30		EGEBHN
C[C@@H]1CN(C)[C@@H](C)C/C1=N/OC(=O)c1ccc(Br)cc1	ZINC000000235781	452543752	/nfs/dbraw/zinc/54/37/52/452543752.db2.gz	VECVVFWDMWKASS-SFWGKQECSA-N	0	3	339.233	3.322	40	30		EGEBHN
N#CC1(CCCN2CC[C@@H](Oc3cccc(F)c3)C2)CCOCC1	ZINC000252490437	455812295	/nfs/dbraw/zinc/81/22/95/455812295.db2.gz	KTLDMWVWJZGKAU-GOSISDBHSA-N	0	3	332.419	3.379	40	30		EGEBHN
CC(C)N(C)Cc1cncc2c1CCN(Cc1cccc(C#N)c1)C2	ZINC000096189466	454299676	/nfs/dbraw/zinc/29/96/76/454299676.db2.gz	DXSTWPTZQMJPOD-UHFFFAOYSA-N	0	3	334.467	3.352	40	30		EGEBHN
COc1cccc([C@]2(O)CC[C@@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)c1	ZINC000229941480	536915973	/nfs/dbraw/zinc/91/59/73/536915973.db2.gz	LAKGZRJWGZDTEI-STZQEDGTSA-N	0	3	348.446	3.296	40	30		EGEBHN
C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC(C#N)C(=O)N2	ZINC000104229114	219363375	/nfs/dbraw/zinc/36/33/75/219363375.db2.gz	PXJJMZRPGBMTIG-JZXMJLAOSA-N	0	3	326.440	3.137	40	30		EGEBHN
C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000040013638	213250023	/nfs/dbraw/zinc/25/00/23/213250023.db2.gz	GXQSMQDVIZMXGE-KDOFPFPSSA-N	0	3	328.387	3.130	40	30		EGEBHN
N#Cc1ccc(CNC2CCN(CCC(F)(F)F)CC2)c(F)c1	ZINC000180164287	455143133	/nfs/dbraw/zinc/14/31/33/455143133.db2.gz	STWUZVGZLFHDLX-UHFFFAOYSA-N	0	3	329.341	3.204	40	30		EGEBHN
C=CCn1cc(CN2CCCN(c3cccc(OC)c3)CC2)c(C)n1	ZINC000057811397	454148022	/nfs/dbraw/zinc/14/80/22/454148022.db2.gz	JHPSUOIQWLDNLY-UHFFFAOYSA-N	0	3	340.471	3.098	40	30		EGEBHN
C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2	ZINC000107751856	454772539	/nfs/dbraw/zinc/77/25/39/454772539.db2.gz	WSIXJTYGUKJGEB-UXHICEINSA-N	0	3	331.456	3.269	40	30		EGEBHN
COc1cccc([C@]2(O)CC[C@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)c1	ZINC000013568922	453471804	/nfs/dbraw/zinc/47/18/04/453471804.db2.gz	LAKGZRJWGZDTEI-YUXAGFNASA-N	0	3	348.446	3.296	40	30		EGEBHN
CCSc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cn1	ZINC000171035931	455019123	/nfs/dbraw/zinc/01/91/23/455019123.db2.gz	WRGVWRXJYKHDOO-HNNXBMFYSA-N	0	3	339.420	3.463	40	30		EGEBHN
CCN1CCN(c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000000353099	452568125	/nfs/dbraw/zinc/56/81/25/452568125.db2.gz	RQVJKSOJPSFCCB-HMMYKYKNSA-N	0	3	338.411	3.487	40	30		EGEBHN
COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCc3ccccc32)cc1	ZINC000102752386	454519715	/nfs/dbraw/zinc/51/97/15/454519715.db2.gz	VSFSLXWXORNDSR-KXBFYZLASA-N	0	3	348.402	3.463	40	30		EGEBHN
Cc1ccccc1C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279397033	455864890	/nfs/dbraw/zinc/86/48/90/455864890.db2.gz	UVYSXLJYBJXVCW-OXJNMPFZSA-N	0	3	331.419	3.296	40	30		EGEBHN
COc1cc(N[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000332360530	457355270	/nfs/dbraw/zinc/35/52/70/457355270.db2.gz	UXHNQNAJGZMBJB-UXLLHSPISA-N	0	3	329.444	3.272	40	30		EGEBHN
COc1ccc2[nH]c([C@H]3CCN(Cc4cccc(C#N)c4)C3)nc2c1	ZINC000035446741	213029134	/nfs/dbraw/zinc/02/91/34/213029134.db2.gz	NOVKQCMPPSTATN-INIZCTEOSA-N	0	3	332.407	3.433	40	30	biogenic,in-vitro	EGEBHN
C=CCN1CCC[C@]12CCCN(C(=O)c1cccc3cccnc31)C2	ZINC000096071451	454278878	/nfs/dbraw/zinc/27/88/78/454278878.db2.gz	GNCLBDFLSICPHS-NRFANRHFSA-N	0	3	335.451	3.491	40	30		EGEBHN
N#CC(C(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1ccccn1	ZINC000078979044	454348310	/nfs/dbraw/zinc/34/83/10/454348310.db2.gz	MMUSLBVCAJLBCV-BDVYOWHSSA-N	0	3	339.439	3.123	40	30		EGEBHN
N#CC(C(=O)c1cnc2c(cnn2C2CCCC2)c1)c1ccccn1	ZINC000079333272	454398623	/nfs/dbraw/zinc/39/86/23/454398623.db2.gz	KCFBDZQIJMTERO-MRXNPFEDSA-N	0	3	331.379	3.431	40	30		EGEBHN
O/N=C1\[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)[C@@H]2CC[C@H]1C2	ZINC000100965306	454468492	/nfs/dbraw/zinc/46/84/92/454468492.db2.gz	JJFZNGPATRNWJU-AJNLPBSFSA-N	0	3	334.847	3.252	40	30		EGEBHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2nsnc2c1	ZINC000390833144	457446596	/nfs/dbraw/zinc/44/65/96/457446596.db2.gz	CUHOYHRACMSNHD-NSHDSACASA-N	0	3	333.376	3.068	40	30		EGEBHN
N#Cc1cccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)c1	ZINC000096187631	454300237	/nfs/dbraw/zinc/30/02/37/454300237.db2.gz	XOMMGOQSYXZOGZ-UHFFFAOYSA-N	0	3	341.418	3.011	40	30		EGEBHN
CCN1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000091174772	454400686	/nfs/dbraw/zinc/40/06/86/454400686.db2.gz	NUQZTRCAOISTGH-UHFFFAOYSA-N	0	3	348.450	3.041	40	30		EGEBHN
CCSc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cn1	ZINC000171035926	455019232	/nfs/dbraw/zinc/01/92/32/455019232.db2.gz	WRGVWRXJYKHDOO-OAHLLOKOSA-N	0	3	339.420	3.463	40	30		EGEBHN
C=CCN1CCC(Nc2nc(CCC)nc3c(C)nn(CC)c32)CC1	ZINC000226743779	534846932	/nfs/dbraw/zinc/84/69/32/534846932.db2.gz	IMIDRDUZKBPLQY-UHFFFAOYSA-N	0	3	342.491	3.169	40	30		EGEBHN