smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@H](c2ccccc2)C1	ZINC000217490642	206362107	/nfs/dbraw/zinc/36/21/07/206362107.db2.gz	WOJKWXKFIZZFSJ-FQEVSTJZSA-N	0	0	359.473	4.497	50	70		FIIARN
CCn1nc(C)cc1C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21	ZINC000217704872	206365480	/nfs/dbraw/zinc/36/54/80/206365480.db2.gz	ISHQNYYSFNCVCE-QGZVFWFLSA-N	0	0	353.466	4.168	50	70		FIIARN
CNc1nc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cs1	ZINC000217909816	206365633	/nfs/dbraw/zinc/36/56/33/206365633.db2.gz	XWIIBBXUFJMCRR-AWEZNQCLSA-N	0	0	357.479	4.141	50	70		FIIARN
O=C(c1cc2sccc2[nH]1)N1CCCC[C@H]1c1nc2ccccc2[nH]1	ZINC000218300173	206368618	/nfs/dbraw/zinc/36/86/18/206368618.db2.gz	NZOURMASPZFRCG-INIZCTEOSA-N	0	0	350.447	4.473	50	70		FIIARN
Cc1csc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)n1	ZINC000218516870	526340250	/nfs/dbraw/zinc/34/02/50/526340250.db2.gz	GIDDQVWQNHKFEE-UHFFFAOYSA-N	0	0	363.895	4.201	50	70		FIIARN
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccccc1SC(F)F	ZINC000217577297	526630708	/nfs/dbraw/zinc/63/07/08/526630708.db2.gz	HOKITFUOAWJTNU-IBGZPJMESA-N	0	0	363.429	4.029	50	70		FIIARN
O=C1C[C@H](c2cccnc2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218120285	571352410	/nfs/dbraw/zinc/35/24/10/571352410.db2.gz	IRBPHPWKHMUDPB-MRXNPFEDSA-N	0	0	363.413	4.191	50	70	biogenic	FIIARN
O=C(Nc1ccc(NC2CCC3(CC2)OCCO3)cc1)N1CCCCCC1	ZINC000161162758	206227597	/nfs/dbraw/zinc/22/75/97/206227597.db2.gz	OIKLMOMKZIQIRL-UHFFFAOYSA-N	0	0	373.497	4.192	50	70		FIIARN
COc1c(Cl)cc(Cl)cc1C(=O)N(C)[C@H](C)c1c(C)n[nH]c1C	ZINC000217000690	206361013	/nfs/dbraw/zinc/36/10/13/206361013.db2.gz	JGPFTLBUOXMTMC-SNVBAGLBSA-N	0	0	356.253	4.175	50	70		FIIARN
COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c2ccccc12	ZINC000217700077	206366540	/nfs/dbraw/zinc/36/65/40/206366540.db2.gz	CGCNPEFRUKFQFF-KRWDZBQOSA-N	0	0	372.376	4.396	50	70	biogenic	FIIARN
CC(=O)c1ccc2c(c1O)[C@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000218310172	206368235	/nfs/dbraw/zinc/36/82/35/206368235.db2.gz	HWOIQMQJWSMDHK-LBPRGKRZSA-N	0	0	351.185	4.343	50	70		FIIARN
O=C(c1cccc(-c2ccco2)c1)N(Cc1ccccn1)C[C@H]1CCCO1	ZINC000218081025	526744584	/nfs/dbraw/zinc/74/45/84/526744584.db2.gz	QJYAANFAADDBIZ-HXUWFJFHSA-N	0	0	362.429	4.163	50	70		FIIARN
C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccccc1-n1cccn1	ZINC000159507484	206223502	/nfs/dbraw/zinc/22/35/02/206223502.db2.gz	VFDROUDSULQLHS-MGPUTAFESA-N	0	0	363.486	4.080	50	70		FIIARN
Cc1cccc2[nH]c([C@H]3CCCN3C(=O)c3nc(C(C)C)cs3)nc21	ZINC000218755079	206373728	/nfs/dbraw/zinc/37/37/28/206373728.db2.gz	WSAURZTUTMDMEW-OAHLLOKOSA-N	0	0	354.479	4.429	50	70		FIIARN
CC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1	ZINC000217502816	206363107	/nfs/dbraw/zinc/36/31/07/206363107.db2.gz	PVQZVCNUEWQCBP-NRFANRHFSA-N	0	0	369.486	4.326	50	70		FIIARN
Cc1noc(-c2ccsc2NC(=O)COc2ccc(C(C)C)cc2)n1	ZINC000217648646	206363791	/nfs/dbraw/zinc/36/37/91/206363791.db2.gz	CQQXLXVFVRMGPE-UHFFFAOYSA-N	0	0	357.435	4.247	50	70		FIIARN
CCOc1ccc2c(C)c(C(=O)N(C)Cc3nccs3)oc2c1OCC	ZINC000217920584	206366471	/nfs/dbraw/zinc/36/64/71/206366471.db2.gz	WVOMCVJROQOPMD-UHFFFAOYSA-N	0	0	374.462	4.267	50	70		FIIARN
O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1c(F)cccc1F	ZINC000217877285	526478441	/nfs/dbraw/zinc/47/84/41/526478441.db2.gz	GICFJWKDYRMKLC-UHFFFAOYSA-N	0	0	373.428	4.197	50	70		FIIARN
O=C(c1cc2ccccc2s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	ZINC000217816467	526642337	/nfs/dbraw/zinc/64/23/37/526642337.db2.gz	QBGUFAWPTZDFDG-ZDUSSCGKSA-N	0	0	367.474	4.257	50	70		FIIARN
Cc1cccc(CN(Cc2cccc(C)n2)c2nc(C(C)(C)C)ns2)n1	ZINC000159880278	206226127	/nfs/dbraw/zinc/22/61/27/206226127.db2.gz	FFOGNTKJQITVQT-UHFFFAOYSA-N	0	0	367.522	4.449	50	70		FIIARN
COc1ccc([C@@H](NC(=O)c2c(F)ccc(C)c2F)c2ccncc2)cc1	ZINC000218562532	206371431	/nfs/dbraw/zinc/37/14/31/206371431.db2.gz	QFQVSZVBPJYGIN-HXUWFJFHSA-N	0	0	368.383	4.196	50	70		FIIARN
Cc1nnsc1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000217641340	206364438	/nfs/dbraw/zinc/36/44/38/206364438.db2.gz	BAYKLAPTPPYFAU-ZDUSSCGKSA-N	0	0	360.291	4.041	50	70		FIIARN
CNc1nc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cs1	ZINC000217909744	206365361	/nfs/dbraw/zinc/36/53/61/206365361.db2.gz	XWIIBBXUFJMCRR-CQSZACIVSA-N	0	0	357.479	4.141	50	70		FIIARN
COCCOc1c(Cl)cccc1NC(=O)N1CC[C@H]2CCCC[C@H]21	ZINC000160776705	571192474	/nfs/dbraw/zinc/19/24/74/571192474.db2.gz	WGAXKYLSEQFPJJ-CZUORRHYSA-N	0	0	352.862	4.162	50	70		FIIARN
Cc1cc(C)n(-c2cccc(NC(=O)c3cc(F)cc4cccnc43)c2)n1	ZINC000160333792	206226183	/nfs/dbraw/zinc/22/61/83/206226183.db2.gz	AGSPYIJXVWOGTL-UHFFFAOYSA-N	0	0	360.392	4.429	50	70		FIIARN
Cc1nc2sc([C@H](c3ccsc3)[N@@H+](C)C3CCCCC3)c([O-])n2n1	ZINC000218613621	206371668	/nfs/dbraw/zinc/37/16/68/206371668.db2.gz	SOLPWHHRSMQULX-AWEZNQCLSA-N	0	0	362.524	4.220	50	70		FIIARN
Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3-c3cccc(C)c3)C2)[nH]1	ZINC000217639901	206363712	/nfs/dbraw/zinc/36/37/12/206363712.db2.gz	RQEVCYOGKHZOOP-GOSISDBHSA-N	0	0	360.461	4.108	50	70		FIIARN
COc1cccc([C@H]2SCCN2C(=O)c2cc(-c3ccccc3)on2)c1	ZINC000217637700	206363782	/nfs/dbraw/zinc/36/37/82/206363782.db2.gz	QCDSCAVXWFECGZ-HXUWFJFHSA-N	0	0	366.442	4.238	50	70		FIIARN
O=C(c1cc(-c2ccccc2)on1)N1CCS[C@H]1c1cccc(F)c1	ZINC000217634830	206364836	/nfs/dbraw/zinc/36/48/36/206364836.db2.gz	VBGKAGUXCJYYSV-IBGZPJMESA-N	0	0	354.406	4.369	50	70		FIIARN
O=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@@H](c2ccncn2)C1	ZINC000217863817	206366495	/nfs/dbraw/zinc/36/64/95/206366495.db2.gz	RKWNSKBUMKXDOQ-QGZVFWFLSA-N	0	0	361.420	4.303	50	70		FIIARN
CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)CCSCc1ccccc1	ZINC000218535590	523160254	/nfs/dbraw/zinc/16/02/54/523160254.db2.gz	CEDZWSBOAYTGSG-UHFFFAOYSA-N	0	0	365.502	4.359	50	70		FIIARN
O=C(NCCc1nc(C2CCCCC2)cs1)[C@@H]1OCCc2ccccc21	ZINC000159721580	571057420	/nfs/dbraw/zinc/05/74/20/571057420.db2.gz	QFRGDQPAIQTTEN-HXUWFJFHSA-N	0	0	370.518	4.164	50	70		FIIARN
Cc1cccc([C@H]2CCCN2C(=O)NCC2(c3c(F)cccc3F)CC2)n1	ZINC000161330594	571292014	/nfs/dbraw/zinc/29/20/14/571292014.db2.gz	MVULMSGJFFZFDI-GOSISDBHSA-N	0	0	371.431	4.247	50	70		FIIARN
CC[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1nc2cc(C)ccc2[nH]1	ZINC000217531455	206364669	/nfs/dbraw/zinc/36/46/69/206364669.db2.gz	XKAJOWOUFGOBCW-AWEZNQCLSA-N	0	0	357.841	4.040	50	70		FIIARN
CC(C)[C@H](NC(=O)c1ccc2c(ccn2C)c1)c1nc2ccccc2n1C	ZINC000218298835	206369141	/nfs/dbraw/zinc/36/91/41/206369141.db2.gz	ILNKBBABIJLXES-FQEVSTJZSA-N	0	0	360.461	4.192	50	70		FIIARN
C[C@@H](c1ccncc1)N(C)C(=O)Cc1ccc2c(c1)c1ccccc1n2C	ZINC000216932629	526148874	/nfs/dbraw/zinc/14/88/74/526148874.db2.gz	BJBZKTSSTQYLBJ-INIZCTEOSA-N	0	0	357.457	4.489	50	70		FIIARN
COc1cc2c(c(OC)c1OC)[C@H](c1cccc3ccccc31)CC(=O)O2	ZINC000218080616	203878265	/nfs/dbraw/zinc/87/82/65/203878265.db2.gz	UZWRMYADSILAMG-INIZCTEOSA-N	0	0	364.397	4.307	50	70	biogenic	FIIARN
Cn1cc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21	ZINC000218436724	206370382	/nfs/dbraw/zinc/37/03/82/206370382.db2.gz	BRXKQKYKXNIWLC-NRFANRHFSA-N	0	0	372.472	4.351	50	70		FIIARN
O=S(=O)(NCC1(c2ccsc2)CCCC1)c1cccc2cccnc21	ZINC000217583215	527210914	/nfs/dbraw/zinc/21/09/14/527210914.db2.gz	XHPAJIWRBRMZRF-UHFFFAOYSA-N	0	0	372.515	4.087	50	70		FIIARN
O=C(c1ccccc1Oc1ccccc1)N1CCC(c2ccncn2)CC1	ZINC000218751212	206373088	/nfs/dbraw/zinc/37/30/88/206373088.db2.gz	SSROACCGCOMKEY-UHFFFAOYSA-N	0	0	359.429	4.289	50	70		FIIARN
O[C@@H](c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2)c1ccccc1	ZINC000217434117	206363001	/nfs/dbraw/zinc/36/30/01/206363001.db2.gz	OHGFAMYZQRJZIJ-LJQANCHMSA-N	0	0	373.909	4.086	50	70		FIIARN
COc1cccc([C@@H]2SCCN2C(=O)c2cc(-c3ccccc3)on2)c1	ZINC000217637793	206364467	/nfs/dbraw/zinc/36/44/67/206364467.db2.gz	QCDSCAVXWFECGZ-FQEVSTJZSA-N	0	0	366.442	4.238	50	70		FIIARN
CC(C)c1nc(CCN(C)C(=O)c2ccccc2-c2ccccc2F)no1	ZINC000218535678	519860542	/nfs/dbraw/zinc/86/05/42/519860542.db2.gz	NKZJPXQMSIKWGR-UHFFFAOYSA-N	0	0	367.424	4.314	50	70		FIIARN
CC(C)c1nc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc2[nH]1	ZINC000218237738	519869400	/nfs/dbraw/zinc/86/94/00/519869400.db2.gz	BTSYOFNRIMTWLE-UHFFFAOYSA-N	0	0	366.465	4.022	50	70		FIIARN
Cc1cc(-c2cccs2)nn1CCNC(=O)Nc1cccc(Cl)c1	ZINC000217875642	526043206	/nfs/dbraw/zinc/04/32/06/526043206.db2.gz	XOHJQSWOTKTIDH-UHFFFAOYSA-N	0	0	360.870	4.395	50	70		FIIARN
O=C(NCCSC1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1	ZINC000217702638	526370638	/nfs/dbraw/zinc/37/06/38/526370638.db2.gz	VWOMZADXGKRZFY-UHFFFAOYSA-N	0	0	367.942	4.180	50	70		FIIARN
CC(C)n1ccc2c1cccc2NC(=O)c1cn(C)c(=O)c2ccccc12	ZINC000218510517	209666655	/nfs/dbraw/zinc/66/66/55/209666655.db2.gz	HLZPBOSCECOYON-UHFFFAOYSA-N	0	0	359.429	4.326	50	70		FIIARN
Cc1ccccc1CSCC(=O)N[C@@H](C)c1cnn(-c2ccccc2)c1	ZINC000217504894	525181616	/nfs/dbraw/zinc/18/16/16/525181616.db2.gz	QGVUUWOOPDUZGV-KRWDZBQOSA-N	0	0	365.502	4.291	50	70		FIIARN
Cc1csc(-c2cccc(CNC(=O)c3nc(Cl)sc3C)c2)n1	ZINC000218277128	568225904	/nfs/dbraw/zinc/22/59/04/568225904.db2.gz	QVOFPKBYIBHOSG-UHFFFAOYSA-N	0	0	363.895	4.467	50	70		FIIARN
CC(C)Cn1ccc2c1cccc2NC(=O)c1cn(C)c(=O)c2ccccc12	ZINC000218511215	568237367	/nfs/dbraw/zinc/23/73/67/568237367.db2.gz	ANRLQPBUTONLOJ-UHFFFAOYSA-N	0	0	373.456	4.402	50	70		FIIARN
Cc1cccc2[nH]c([C@@H]3CCCN3C(=O)c3nc(C(C)C)cs3)nc21	ZINC000218755035	568250087	/nfs/dbraw/zinc/25/00/87/568250087.db2.gz	WSAURZTUTMDMEW-HNNXBMFYSA-N	0	0	354.479	4.429	50	70		FIIARN
O=C(NCc1cncc(-c2ccsc2)c1)c1nc2ccccc2s1	ZINC000217690696	571349951	/nfs/dbraw/zinc/34/99/51/571349951.db2.gz	XZKBWTDZGHOMAD-UHFFFAOYSA-N	0	0	351.456	4.350	50	70		FIIARN
COc1cccc2c1ccn2CCC(=O)N1CCCC[C@H]1c1cccnc1	ZINC000217957175	571351870	/nfs/dbraw/zinc/35/18/70/571351870.db2.gz	NSNLEZHKQLJPPW-IBGZPJMESA-N	0	0	363.461	4.189	50	70	biogenic	FIIARN
Cc1c(C(=O)Nc2cccc3c2ccn3C(C)C)sc2[nH]cnc(=O)c12	ZINC000218350115	209665741	/nfs/dbraw/zinc/66/57/41/209665741.db2.gz	NXLBJAAWSJJQIG-UHFFFAOYSA-N	0	0	366.446	4.081	50	70		FIIARN
Cc1nc(NC(=O)c2csc(-c3ccccc3F)n2)cc(C2CC2)n1	ZINC000160309427	206814119	/nfs/dbraw/zinc/81/41/19/206814119.db2.gz	YZIKCMOZIIAGMV-UHFFFAOYSA-N	0	0	354.410	4.177	50	70		FIIARN
COc1ccc(CCC(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)cc1	ZINC000218180041	523925164	/nfs/dbraw/zinc/92/51/64/523925164.db2.gz	FRVQVDDSTIWTEA-NRFANRHFSA-N	0	0	365.477	4.028	50	70		FIIARN
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2N1)CC3	ZINC000217518599	568189321	/nfs/dbraw/zinc/18/93/21/568189321.db2.gz	HLGQVEYOGFLDBO-FQEVSTJZSA-N	0	0	365.864	4.051	50	70		FIIARN
Cc1cc(N(Cc2cccs2)C[C@@H]2CCCO2)nc(-c2cccnc2)n1	ZINC000159574197	571130166	/nfs/dbraw/zinc/13/01/66/571130166.db2.gz	PLVKNIFREPHHJR-KRWDZBQOSA-N	0	0	366.490	4.094	50	70		FIIARN
C[C@](O)(CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2s1	ZINC000217522982	525172697	/nfs/dbraw/zinc/17/26/97/525172697.db2.gz	IAZNWYGHMWILHQ-IBGZPJMESA-N	0	0	374.893	4.262	50	70		FIIARN
Cc1cc(-c2cccs2)nn1CCNC(=O)c1cc2ccccc2o1	ZINC000217873900	526044029	/nfs/dbraw/zinc/04/40/29/526044029.db2.gz	BYKVOSMQOPLSMN-UHFFFAOYSA-N	0	0	351.431	4.096	50	70		FIIARN
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccc(C)n1	ZINC000160252345	571113539	/nfs/dbraw/zinc/11/35/39/571113539.db2.gz	SAGCRRYSDLSMKT-MRXNPFEDSA-N	0	0	360.889	4.182	50	70		FIIARN
Cc1nc2sc([C@H](c3ccccc3)[N@@H+](C)C3CCCCC3)c([O-])n2n1	ZINC000218297730	209665122	/nfs/dbraw/zinc/66/51/22/209665122.db2.gz	MWGXLXTZEFROFL-INIZCTEOSA-N	0	0	356.495	4.159	50	70		FIIARN
CC(C)Oc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1	ZINC000217654568	209658763	/nfs/dbraw/zinc/65/87/63/209658763.db2.gz	DCGASJYJSFXXTK-INIZCTEOSA-N	0	0	350.370	4.021	50	70	biogenic	FIIARN
CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21	ZINC000159365338	209482881	/nfs/dbraw/zinc/48/28/81/209482881.db2.gz	CHHDDYYCGGPCCE-OAHLLOKOSA-N	0	0	362.470	4.393	50	70		FIIARN
CC1CCN(c2cccc(NC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)c2)CC1	ZINC000159675610	132261228	/nfs/dbraw/zinc/26/12/28/132261228.db2.gz	FGNGDUXGJGVAGF-QGZVFWFLSA-N	0	0	367.497	4.058	50	70		FIIARN
Cc1ccccc1[C@H]1CCCN(C(=O)c2ccc(SCCO)cc2)C1	ZINC000217849664	525434393	/nfs/dbraw/zinc/43/43/93/525434393.db2.gz	RJHDIUPPBZLMSH-SFHVURJKSA-N	0	0	355.503	4.099	50	70		FIIARN
Cc1noc(C)c1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12	ZINC000218521615	526577097	/nfs/dbraw/zinc/57/70/97/526577097.db2.gz	FAGGOVYZZXAVOA-LJQANCHMSA-N	0	0	351.450	4.459	50	70		FIIARN
O=S(=O)(Cc1cccc(Cl)c1)NCC1(c2ccsc2)CCCC1	ZINC000217484128	527193489	/nfs/dbraw/zinc/19/34/89/527193489.db2.gz	HESBVYZEOAYSOK-UHFFFAOYSA-N	0	0	369.939	4.333	50	70		FIIARN
COc1c(Cl)cc(Cl)cc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C	ZINC000217000679	568163925	/nfs/dbraw/zinc/16/39/25/568163925.db2.gz	JGPFTLBUOXMTMC-JTQLQIEISA-N	0	0	356.253	4.175	50	70		FIIARN
CC[C@H](C)[C@H](NC(=O)Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1	ZINC000218300584	568227057	/nfs/dbraw/zinc/22/70/57/568227057.db2.gz	WFEIUCMFSRKFCY-XOBRGWDASA-N	0	0	351.450	4.018	50	70		FIIARN
Cc1ccc(SCc2ccc(C(=O)NCCc3cccnc3)o2)cc1	ZINC000218594529	568241669	/nfs/dbraw/zinc/24/16/69/568241669.db2.gz	NKIVIHDQWOTSCF-UHFFFAOYSA-N	0	0	352.459	4.248	50	70		FIIARN
Cc1nc(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c(C)s1	ZINC000159638708	571140956	/nfs/dbraw/zinc/14/09/56/571140956.db2.gz	CWYMYPRQJILIAV-VIFPVBQESA-N	0	0	373.400	4.219	50	70		FIIARN
COc1ccc([C@H](NC(=O)c2c(F)ccc(C)c2F)c2ccncc2)cc1	ZINC000218562615	209667422	/nfs/dbraw/zinc/66/74/22/209667422.db2.gz	QFQVSZVBPJYGIN-FQEVSTJZSA-N	0	0	368.383	4.196	50	70		FIIARN
COc1ccccc1[C@@H](Nc1nc(C(C)(C)C)ns1)c1ccccn1	ZINC000160151535	209488226	/nfs/dbraw/zinc/48/82/26/209488226.db2.gz	OAAGURQJBUAWDR-MRXNPFEDSA-N	0	0	354.479	4.441	50	70		FIIARN
CCOCCOc1ccccc1C(=O)N1CCC[C@H](c2ccccc2)C1	ZINC000216949443	520042648	/nfs/dbraw/zinc/04/26/48/520042648.db2.gz	HARLNEVDXYUIKZ-IBGZPJMESA-N	0	0	353.462	4.122	50	70		FIIARN
CCOCCOc1ccccc1C(=O)N1CCC[C@@H](c2ccccc2)C1	ZINC000216949424	520042904	/nfs/dbraw/zinc/04/29/04/520042904.db2.gz	HARLNEVDXYUIKZ-LJQANCHMSA-N	0	0	353.462	4.122	50	70		FIIARN
CC[C@H](C(=O)NCCn1nc(-c2cccs2)cc1C)c1ccccc1	ZINC000217873535	523779482	/nfs/dbraw/zinc/77/94/82/523779482.db2.gz	LKBBOULHYBUJFE-KRWDZBQOSA-N	0	0	353.491	4.230	50	70		FIIARN
C[C@@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1	ZINC000217994003	525767392	/nfs/dbraw/zinc/76/73/92/525767392.db2.gz	ZHJHXSVKZPPHHE-HXUWFJFHSA-N	0	0	357.837	4.043	50	70		FIIARN
CCn1nc(C)cc1C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21	ZINC000217704955	568199392	/nfs/dbraw/zinc/19/93/92/568199392.db2.gz	ISHQNYYSFNCVCE-KRWDZBQOSA-N	0	0	353.466	4.168	50	70		FIIARN
O=C(c1cc2sccc2[nH]1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000218300124	568227049	/nfs/dbraw/zinc/22/70/49/568227049.db2.gz	NZOURMASPZFRCG-MRXNPFEDSA-N	0	0	350.447	4.473	50	70		FIIARN
O=C(CCc1c[nH]c2ccccc12)NCc1cc(-c2cccc(F)c2)no1	ZINC000218654505	568244283	/nfs/dbraw/zinc/24/42/83/568244283.db2.gz	QYGKEXUZRVNGMK-UHFFFAOYSA-N	0	0	363.392	4.211	50	70		FIIARN
CNC(=O)c1ccc(OC)c(NCc2ccc(-c3ccc(F)cc3C)o2)c1	ZINC000160278694	571116793	/nfs/dbraw/zinc/11/67/93/571116793.db2.gz	YYTDPNBYNLQVKA-UHFFFAOYSA-N	0	0	368.408	4.374	50	70		FIIARN
O=C1C[C@@H](c2cccnc2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	ZINC000218120202	571352440	/nfs/dbraw/zinc/35/24/40/571352440.db2.gz	IRBPHPWKHMUDPB-INIZCTEOSA-N	0	0	363.413	4.191	50	70	biogenic	FIIARN
CCOc1ccc(NC(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1	ZINC000217522611	521093145	/nfs/dbraw/zinc/09/31/45/521093145.db2.gz	HSPCITDZZFDNKT-HXUWFJFHSA-N	0	0	370.474	4.329	50	70		FIIARN
COc1ccccc1-c1ccc(C(=O)NCc2cn3c(cccc3C)n2)cc1	ZINC000217184309	524269488	/nfs/dbraw/zinc/26/94/88/524269488.db2.gz	VGLMPOBIPHGMMD-UHFFFAOYSA-N	0	0	371.440	4.248	50	70		FIIARN
COc1ccccc1-c1cccc(C(=O)N(C)CCC2(O)CCCC2)c1	ZINC000218497133	524271906	/nfs/dbraw/zinc/27/19/06/524271906.db2.gz	CUDCWHJUCLQFHN-UHFFFAOYSA-N	0	0	353.462	4.129	50	70		FIIARN
C[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1cc2ccccc2o1	ZINC000217994086	525171595	/nfs/dbraw/zinc/17/15/95/525171595.db2.gz	ZHJHXSVKZPPHHE-FQEVSTJZSA-N	0	0	357.837	4.043	50	70		FIIARN
C[C@@](O)(CNC(=O)NCCCc1ccccc1)c1cc2ccccc2s1	ZINC000217522340	525769220	/nfs/dbraw/zinc/76/92/20/525769220.db2.gz	ZBGOVXDWYYSZKS-OAQYLSRUSA-N	0	0	368.502	4.041	50	70		FIIARN
Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12	ZINC000218521529	526566629	/nfs/dbraw/zinc/56/66/29/526566629.db2.gz	FAGGOVYZZXAVOA-IBGZPJMESA-N	0	0	351.450	4.459	50	70		FIIARN
Cn1nc(CN(C(=O)c2cccc(Cl)c2)C2CCCC2)c2c1CCC2	ZINC000217908916	527554099	/nfs/dbraw/zinc/55/40/99/527554099.db2.gz	PCKVAABGQFCXGK-UHFFFAOYSA-N	0	0	357.885	4.147	50	70		FIIARN
CC(C)[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C	ZINC000218172944	568220238	/nfs/dbraw/zinc/22/02/38/568220238.db2.gz	ZTOXZZIHPMMOSH-QFIPXVFZSA-N	0	0	374.488	4.432	50	70		FIIARN
CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000218310198	568227516	/nfs/dbraw/zinc/22/75/16/568227516.db2.gz	HWOIQMQJWSMDHK-GFCCVEGCSA-N	0	0	351.185	4.343	50	70		FIIARN
COc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c2ccccc12	ZINC000217700167	571350075	/nfs/dbraw/zinc/35/00/75/571350075.db2.gz	CGCNPEFRUKFQFF-QGZVFWFLSA-N	0	0	372.376	4.396	50	70	biogenic	FIIARN
CC[C@@H](C(=O)NCCn1nc(-c2cccs2)cc1C)c1ccccc1	ZINC000217873604	521843377	/nfs/dbraw/zinc/84/33/77/521843377.db2.gz	LKBBOULHYBUJFE-QGZVFWFLSA-N	0	0	353.491	4.230	50	70		FIIARN
CCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCc2nc(CC)sc21	ZINC000159365477	568198011	/nfs/dbraw/zinc/19/80/11/568198011.db2.gz	CHHDDYYCGGPCCE-HNNXBMFYSA-N	0	0	362.470	4.393	50	70		FIIARN
CC(C)[C@@H](CO)NC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000218177317	568220473	/nfs/dbraw/zinc/22/04/73/568220473.db2.gz	SMDLETALVZXPND-HXPMCKFVSA-N	0	0	358.869	4.211	50	70		FIIARN
COc1ccccc1CN(Cc1ccccc1C)C(=O)[C@H]1CCC[C@H](O)C1	ZINC000218682061	568245812	/nfs/dbraw/zinc/24/58/12/568245812.db2.gz	CZTQTWJTAVTTCL-RXVVDRJESA-N	0	0	367.489	4.084	50	70		FIIARN
O=C(NCCc1nc(C2CCCCC2)cs1)[C@H]1OCCc2ccccc21	ZINC000159721438	571057564	/nfs/dbraw/zinc/05/75/64/571057564.db2.gz	QFRGDQPAIQTTEN-FQEVSTJZSA-N	0	0	370.518	4.164	50	70		FIIARN
CCC(CC)n1ncc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1C	ZINC000160935923	571201881	/nfs/dbraw/zinc/20/18/81/571201881.db2.gz	QRMYNHVZMVMONP-QGZVFWFLSA-N	0	0	361.873	4.460	50	70		FIIARN
O=C1C[C@H](c2ccc(F)c(F)c2)c2c(ccc3c(=O)c(Cl)coc32)O1	ZINC000218237168	209665905	/nfs/dbraw/zinc/66/59/05/209665905.db2.gz	USNAKDYZKHFBHV-SNVBAGLBSA-N	0	0	362.715	4.166	50	70		FIIARN
C[C@@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2s1	ZINC000217501147	525772474	/nfs/dbraw/zinc/77/24/74/525772474.db2.gz	AWZIADSPJJCMRY-MRXNPFEDSA-N	0	0	351.880	4.254	50	70		FIIARN
C[C@@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1	ZINC000217989720	525773813	/nfs/dbraw/zinc/77/38/13/525773813.db2.gz	ZFHQIMZBRYECKW-GOSISDBHSA-N	0	0	363.335	4.089	50	70		FIIARN
O=C(c1ccccc1-c1ccc(F)cc1)N1CCC[C@H](c2ccncn2)C1	ZINC000217863903	568208051	/nfs/dbraw/zinc/20/80/51/568208051.db2.gz	RKWNSKBUMKXDOQ-KRWDZBQOSA-N	0	0	361.420	4.303	50	70		FIIARN
CCC1(C(=O)NC)CCN(C(=O)c2cccc(-c3ccccc3C)c2)CC1	ZINC000218704076	568247069	/nfs/dbraw/zinc/24/70/69/568247069.db2.gz	RMTAUNMTCQCQRR-UHFFFAOYSA-N	0	0	364.489	4.040	50	70		FIIARN
CC(C)Oc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1	ZINC000217654659	571349730	/nfs/dbraw/zinc/34/97/30/571349730.db2.gz	DCGASJYJSFXXTK-MRXNPFEDSA-N	0	0	350.370	4.021	50	70	biogenic	FIIARN
COc1cc2c(c(OC)c1OC)[C@@H](c1cccc3ccccc31)CC(=O)O2	ZINC000218080533	571352309	/nfs/dbraw/zinc/35/23/09/571352309.db2.gz	UZWRMYADSILAMG-MRXNPFEDSA-N	0	0	364.397	4.307	50	70	biogenic	FIIARN
Cc1n[nH]c(C)c1CCC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1	ZINC000218519159	222682122	/nfs/dbraw/zinc/68/21/22/222682122.db2.gz	BHTYHYRZGHNHHE-UHFFFAOYSA-N	0	0	365.462	4.203	50	70		FIIARN
CCCCOc1ccccc1C(=O)N[C@@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12	ZINC000218136509	520910726	/nfs/dbraw/zinc/91/07/26/520910726.db2.gz	BPTLTQYAJNLGOL-NRDMVMEKSA-N	0	0	357.494	4.189	50	70		FIIARN
O=C(c1cccc(-c2ccco2)c1)N(Cc1ccccn1)C[C@@H]1CCCO1	ZINC000218080950	526744626	/nfs/dbraw/zinc/74/46/26/526744626.db2.gz	QJYAANFAADDBIZ-FQEVSTJZSA-N	0	0	362.429	4.163	50	70		FIIARN
Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1ccc2cc[nH]c2c1	ZINC000218154881	568219167	/nfs/dbraw/zinc/21/91/67/568219167.db2.gz	VBYWLIUEBZQWMP-UHFFFAOYSA-N	0	0	350.809	4.474	50	70		FIIARN
Cc1nc2sc([C@@H](c3ccsc3)[N@@H+](C)C3CCCCC3)c([O-])n2n1	ZINC000218613541	568242425	/nfs/dbraw/zinc/24/24/25/568242425.db2.gz	SOLPWHHRSMQULX-CQSZACIVSA-N	0	0	362.524	4.220	50	70		FIIARN
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c2ccccc12	ZINC000217600177	571349121	/nfs/dbraw/zinc/34/91/21/571349121.db2.gz	MGEQSHMXSJBWPM-KRWDZBQOSA-N	0	0	362.381	4.198	50	70	biogenic	FIIARN
Cc1noc(-c2ccsc2NC(=O)c2ccc(C(F)(F)F)cc2)n1	ZINC000217648231	571349594	/nfs/dbraw/zinc/34/95/94/571349594.db2.gz	JYGYGQOMBMBZJS-UHFFFAOYSA-N	0	0	353.325	4.378	50	70		FIIARN
O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccc(F)cc1Cl	ZINC000217643289	571349621	/nfs/dbraw/zinc/34/96/21/571349621.db2.gz	AZVNGNSNGPTLBF-CYBMUJFWSA-N	0	0	373.815	4.019	50	70		FIIARN
C[C@](O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	ZINC000217990358	525175809	/nfs/dbraw/zinc/17/58/09/525175809.db2.gz	IDDTXYCCEPBRFH-SFHVURJKSA-N	0	0	364.228	4.377	50	70		FIIARN
CC(C)n1c(CCNC(=O)c2cc3ccccc3n2C)nc2ccccc21	ZINC000218472772	568235669	/nfs/dbraw/zinc/23/56/69/568235669.db2.gz	JHTUAOKBZRYDII-UHFFFAOYSA-N	0	0	360.461	4.081	50	70		FIIARN
Cn1nc(-c2ccccc2)cc1C(=O)N1CCCC[C@@H](c2ccccc2)C1	ZINC000217490737	571347934	/nfs/dbraw/zinc/34/79/34/571347934.db2.gz	WOJKWXKFIZZFSJ-HXUWFJFHSA-N	0	0	359.473	4.497	50	70		FIIARN
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn2nccc2c1	ZINC000217958152	222675910	/nfs/dbraw/zinc/67/59/10/222675910.db2.gz	YMMGLUKZQZAHHX-JTQLQIEISA-N	0	0	350.205	4.047	50	70		FIIARN
CCCn1cnnc1[C@@H](C)NC(=O)CCc1ccc(-c2ccc(C)cc2)o1	ZINC000218410119	521663788	/nfs/dbraw/zinc/66/37/88/521663788.db2.gz	KFOJCBNBXDIJJZ-MRXNPFEDSA-N	0	0	366.465	4.067	50	70		FIIARN
C[C@@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1	ZINC000217503564	525768056	/nfs/dbraw/zinc/76/80/56/525768056.db2.gz	GNBFUUICMJICAX-HXUWFJFHSA-N	0	0	371.527	4.407	50	70		FIIARN
O=C(NCC[C@@H](O)c1ccsc1)C1(c2ccc(Cl)cc2)CCCC1	ZINC000217533083	526379043	/nfs/dbraw/zinc/37/90/43/526379043.db2.gz	FTMWSNWVCRSXCO-QGZVFWFLSA-N	0	0	363.910	4.453	50	70		FIIARN
Cc1scc(C(=O)N2CCC(Cn3ccnc3)CC2)c1-c1ccccc1	ZINC000218000442	526903489	/nfs/dbraw/zinc/90/34/89/526903489.db2.gz	NCDMZFNTMPCQRV-UHFFFAOYSA-N	0	0	365.502	4.472	50	70		FIIARN
O=C(C[C@@H](Cc1ccccc1)c1ccco1)N1CCC(c2cc[nH]n2)CC1	ZINC000218342392	527097120	/nfs/dbraw/zinc/09/71/20/527097120.db2.gz	YHFRAYNPUXFUFX-LJQANCHMSA-N	0	0	363.461	4.125	50	70		FIIARN
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cccc(C)n1	ZINC000160252478	571113436	/nfs/dbraw/zinc/11/34/36/571113436.db2.gz	SAGCRRYSDLSMKT-INIZCTEOSA-N	0	0	360.889	4.182	50	70		FIIARN
Cc1ccc(Cc2ccccc2C(=O)N2CCC(c3ccncn3)CC2)cc1	ZINC000218259180	524692185	/nfs/dbraw/zinc/69/21/85/524692185.db2.gz	BMKSNVFHKAYSOS-UHFFFAOYSA-N	0	0	371.484	4.396	50	70		FIIARN
CSc1ccccc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1	ZINC000217910384	526147119	/nfs/dbraw/zinc/14/71/19/526147119.db2.gz	LSBIIUZGTWCPBX-UHFFFAOYSA-N	0	0	369.534	4.216	50	70		FIIARN
O=C(NCC[C@H](O)c1ccsc1)C1(c2ccc(Cl)cc2)CCCC1	ZINC000217532993	526385933	/nfs/dbraw/zinc/38/59/33/526385933.db2.gz	FTMWSNWVCRSXCO-KRWDZBQOSA-N	0	0	363.910	4.453	50	70		FIIARN
O[C@H](c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2)c1ccccc1	ZINC000217434195	568183647	/nfs/dbraw/zinc/18/36/47/568183647.db2.gz	OHGFAMYZQRJZIJ-IBGZPJMESA-N	0	0	373.909	4.086	50	70		FIIARN
Cc1nnc([C@H]2CCCN(C(=O)c3ccccc3-c3cccc(C)c3)C2)[nH]1	ZINC000217639980	568196359	/nfs/dbraw/zinc/19/63/59/568196359.db2.gz	RQEVCYOGKHZOOP-SFHVURJKSA-N	0	0	360.461	4.108	50	70		FIIARN
CC(C)C[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC000218144999	568218788	/nfs/dbraw/zinc/21/87/88/568218788.db2.gz	PEAUNEJJWYQRIU-SFHVURJKSA-N	0	0	365.481	4.072	50	70		FIIARN
Cc1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C(C)C)s1	ZINC000218296864	568226880	/nfs/dbraw/zinc/22/68/80/568226880.db2.gz	YPIYZWSKGNPBGW-UHFFFAOYSA-N	0	0	368.506	4.471	50	70		FIIARN
Cc1nc2sc([C@@H](c3ccccc3)[N@@H+](C)C3CCCCC3)c([O-])n2n1	ZINC000218297679	568226964	/nfs/dbraw/zinc/22/69/64/568226964.db2.gz	MWGXLXTZEFROFL-MRXNPFEDSA-N	0	0	356.495	4.159	50	70		FIIARN
CC(C)[C@H](NC(=O)c1cccc2c1ccn2C)c1nc2ccccc2n1C	ZINC000218317931	568228098	/nfs/dbraw/zinc/22/80/98/568228098.db2.gz	JSIYDHXQEYHVBU-FQEVSTJZSA-N	0	0	360.461	4.192	50	70		FIIARN
CC(C)C[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1nc2ccccc2[nH]1	ZINC000218339078	568229143	/nfs/dbraw/zinc/22/91/43/568229143.db2.gz	FMZDJYQNESZROP-INIZCTEOSA-N	0	0	363.421	4.063	50	70		FIIARN
C[C@@](O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	ZINC000217990288	525772086	/nfs/dbraw/zinc/77/20/86/525772086.db2.gz	IDDTXYCCEPBRFH-GOSISDBHSA-N	0	0	364.228	4.377	50	70		FIIARN
C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1	ZINC000217502066	525772854	/nfs/dbraw/zinc/77/28/54/525772854.db2.gz	CNMAVNUXLKOQJL-GOSISDBHSA-N	0	0	363.841	4.331	50	70		FIIARN
O=C(c1cc2ccccc2s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	ZINC000217816397	526642848	/nfs/dbraw/zinc/64/28/48/526642848.db2.gz	QBGUFAWPTZDFDG-CYBMUJFWSA-N	0	0	367.474	4.257	50	70		FIIARN
CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1nc2ccccc2n1C	ZINC000218132046	568218231	/nfs/dbraw/zinc/21/82/31/568218231.db2.gz	NDQGDBAEQJGLQM-FQEVSTJZSA-N	0	0	373.460	4.091	50	70		FIIARN
C[SiH](C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[SiH](C)C	ZINC000169816542	210174957	/nfs/dbraw/zinc/17/49/57/210174957.db2.gz	JZOMGKXMGPXFIV-UHFFFAOYSA-N	0	0	350.952	4.185	50	70		FIIARN
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccccc1SC(F)F	ZINC000217577371	526564943	/nfs/dbraw/zinc/56/49/43/526564943.db2.gz	HOKITFUOAWJTNU-LJQANCHMSA-N	0	0	363.429	4.029	50	70		FIIARN
O=C(Cc1csc(-c2cccs2)n1)NCCn1ccc2ccccc21	ZINC000218425293	527334957	/nfs/dbraw/zinc/33/49/57/527334957.db2.gz	QWEZOWPHFSNECZ-UHFFFAOYSA-N	0	0	367.499	4.185	50	70		FIIARN
CCSc1ccccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12	ZINC000217515933	571348296	/nfs/dbraw/zinc/34/82/96/571348296.db2.gz	RKDKCUBALCNCHN-UHFFFAOYSA-N	0	0	367.470	4.101	50	70		FIIARN
O=C(Cc1cccc2ccccc21)N1CCC[C@@]2(C1)OC(=O)c1ccccc12	ZINC000217598289	571349062	/nfs/dbraw/zinc/34/90/62/571349062.db2.gz	JZCPAURHEKRZHZ-DEOSSOPVSA-N	0	0	371.436	4.071	50	70		FIIARN
CC(C)Oc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1	ZINC000217502900	222671429	/nfs/dbraw/zinc/67/14/29/222671429.db2.gz	PVQZVCNUEWQCBP-OAQYLSRUSA-N	0	0	369.486	4.326	50	70		FIIARN
CCOc1ccc(NC(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1	ZINC000217522525	521093295	/nfs/dbraw/zinc/09/32/95/521093295.db2.gz	HSPCITDZZFDNKT-FQEVSTJZSA-N	0	0	370.474	4.329	50	70		FIIARN
C[C@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1	ZINC000217989786	525175798	/nfs/dbraw/zinc/17/57/98/525175798.db2.gz	ZFHQIMZBRYECKW-SFHVURJKSA-N	0	0	363.335	4.089	50	70		FIIARN
C[C@@](O)(CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2s1	ZINC000217522896	525769785	/nfs/dbraw/zinc/76/97/85/525769785.db2.gz	IAZNWYGHMWILHQ-LJQANCHMSA-N	0	0	374.893	4.262	50	70		FIIARN
CCSc1nc(CC(=O)N(C)Cc2cc(-c3ccccc3)on2)cs1	ZINC000217069154	568142137	/nfs/dbraw/zinc/14/21/37/568142137.db2.gz	SUJVKLDFOZZXAQ-UHFFFAOYSA-N	0	0	373.503	4.111	50	70		FIIARN
Cc1[nH]c2ccccc2c1CC(=O)N1CCC2(CNc3ccccc32)CC1	ZINC000217477764	568186872	/nfs/dbraw/zinc/18/68/72/568186872.db2.gz	JKTWRDXEOXUBDP-UHFFFAOYSA-N	0	0	359.473	4.005	50	70		FIIARN
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1Cc2cc(Cl)ccc2N1)CC3	ZINC000217518682	568189324	/nfs/dbraw/zinc/18/93/24/568189324.db2.gz	HLGQVEYOGFLDBO-HXUWFJFHSA-N	0	0	365.864	4.051	50	70		FIIARN
O=C(NCc1cc(-c2ccccc2Cl)no1)C1(c2ccccc2F)CC1	ZINC000218764181	568250578	/nfs/dbraw/zinc/25/05/78/568250578.db2.gz	GCSQRDGWAXDDKB-UHFFFAOYSA-N	0	0	370.811	4.482	50	70		FIIARN
C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccccc1-n1cccn1	ZINC000159507344	571120376	/nfs/dbraw/zinc/12/03/76/571120376.db2.gz	VFDROUDSULQLHS-QRWLVFNGSA-N	0	0	363.486	4.080	50	70		FIIARN
O=C(Nc1ccc2c(c1)CC(=O)N2)c1cccc(OC2CCCCC2)c1	ZINC000160320399	210247241	/nfs/dbraw/zinc/24/72/41/210247241.db2.gz	KGXWQWUKFMOQKD-UHFFFAOYSA-N	0	0	350.418	4.145	50	70		FIIARN
C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccccc1-n1cccn1	ZINC000159507624	222553506	/nfs/dbraw/zinc/55/35/06/222553506.db2.gz	VFDROUDSULQLHS-FOIQADDNSA-N	0	0	363.486	4.080	50	70		FIIARN
O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1	ZINC000217547641	526693839	/nfs/dbraw/zinc/69/38/39/526693839.db2.gz	VZKITPFQRDMXDK-SFHVURJKSA-N	0	0	359.397	4.038	50	70		FIIARN
O=C(C[C@H](Cc1ccccc1)c1ccco1)N1CCC(c2cc[nH]n2)CC1	ZINC000218342473	527149107	/nfs/dbraw/zinc/14/91/07/527149107.db2.gz	YHFRAYNPUXFUFX-IBGZPJMESA-N	0	0	363.461	4.125	50	70		FIIARN
CN(C)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000217399711	571276968	/nfs/dbraw/zinc/27/69/68/571276968.db2.gz	LDQMULUOIZRDAU-UHFFFAOYSA-N	0	0	368.868	4.306	50	70		FIIARN
Cc1nnsc1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000217641259	571349522	/nfs/dbraw/zinc/34/95/22/571349522.db2.gz	BAYKLAPTPPYFAU-CYBMUJFWSA-N	0	0	360.291	4.041	50	70		FIIARN
Cc1nn(C)c(C)c1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000217646924	222673027	/nfs/dbraw/zinc/67/30/27/222673027.db2.gz	DYZHPWFHHPPAIO-INIZCTEOSA-N	0	0	370.305	4.232	50	70		FIIARN
CC(C)[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2n1C(C)C	ZINC000218318123	519818367	/nfs/dbraw/zinc/81/83/67/519818367.db2.gz	RKXVDKSNFIHCAC-FQEVSTJZSA-N	0	0	367.497	4.107	50	70		FIIARN
CCCCSCc1cc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)oc1C	ZINC000218312382	520957753	/nfs/dbraw/zinc/95/77/53/520957753.db2.gz	DJOJWSRSIIMNPK-HNNXBMFYSA-N	0	0	361.511	4.364	50	70		FIIARN
COc1ccc2c(ccn2CCC(=O)N2CCCC[C@H]2c2cccnc2)c1	ZINC000218068384	525617105	/nfs/dbraw/zinc/61/71/05/525617105.db2.gz	ORTXJQZLUBQEOG-NRFANRHFSA-N	0	0	363.461	4.189	50	70	biogenic	FIIARN
COc1ccccc1[C@H](Nc1nc(C(C)(C)C)ns1)c1ccccn1	ZINC000160151411	571057322	/nfs/dbraw/zinc/05/73/22/571057322.db2.gz	OAAGURQJBUAWDR-INIZCTEOSA-N	0	0	354.479	4.441	50	70		FIIARN
O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1	ZINC000217547721	526693360	/nfs/dbraw/zinc/69/33/60/526693360.db2.gz	VZKITPFQRDMXDK-GOSISDBHSA-N	0	0	359.397	4.038	50	70		FIIARN
Cn1nc(CN(C(=O)NCc2cccs2)C2CCCC2)cc1C1CC1	ZINC000217900569	527554351	/nfs/dbraw/zinc/55/43/51/527554351.db2.gz	DSGCRZYMSOJYGH-UHFFFAOYSA-N	0	0	358.511	4.013	50	70		FIIARN
Cc1ccc(C)c(C(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)c1	ZINC000218534762	568238434	/nfs/dbraw/zinc/23/84/34/568238434.db2.gz	XJNFDDCHSGBALU-UHFFFAOYSA-N	0	0	361.367	4.139	50	70		FIIARN
COc1cc2c(cc1OC)CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2	ZINC000218763497	568250567	/nfs/dbraw/zinc/25/05/67/568250567.db2.gz	FAXNXSIYNSYCGP-SFHVURJKSA-N	0	0	357.450	4.097	50	70		FIIARN
COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccccc3)n2)cc1Cl	ZINC000160279422	571116754	/nfs/dbraw/zinc/11/67/54/571116754.db2.gz	LYYUKLTUIKSCNS-UHFFFAOYSA-N	0	0	355.825	4.119	50	70		FIIARN
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c2ccccc12	ZINC000217600261	571349137	/nfs/dbraw/zinc/34/91/37/571349137.db2.gz	MGEQSHMXSJBWPM-QGZVFWFLSA-N	0	0	362.381	4.198	50	70	biogenic	FIIARN
Cc1cc(N(Cc2cccs2)C[C@H]2CCCO2)nc(-c2cccnc2)n1	ZINC000159574331	222553379	/nfs/dbraw/zinc/55/33/79/222553379.db2.gz	PLVKNIFREPHHJR-QGZVFWFLSA-N	0	0	366.490	4.094	50	70		FIIARN
C[C@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2s1	ZINC000217501233	525175984	/nfs/dbraw/zinc/17/59/84/525175984.db2.gz	AWZIADSPJJCMRY-INIZCTEOSA-N	0	0	351.880	4.254	50	70		FIIARN
[O-]c1c([C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)sc2ncnn12	ZINC000218470371	568235646	/nfs/dbraw/zinc/23/56/46/568235646.db2.gz	MHQUJBCOAKPQTK-CQSZACIVSA-N	0	0	362.886	4.115	50	70		FIIARN
O=C(Cn1ccc2c1cccc2Cl)N1CCCC[C@H]1c1cccnc1	ZINC000218091152	571352296	/nfs/dbraw/zinc/35/22/96/571352296.db2.gz	RBFLKYCDPPXIPD-SFHVURJKSA-N	0	0	353.853	4.444	50	70	biogenic	FIIARN
CC1CCN(c2cccc(NC(=O)N3CCC[C@H](c4cc[nH]n4)C3)c2)CC1	ZINC000159675475	132261255	/nfs/dbraw/zinc/26/12/55/132261255.db2.gz	FGNGDUXGJGVAGF-KRWDZBQOSA-N	0	0	367.497	4.058	50	70		FIIARN
CCCCSCc1cc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)oc1C	ZINC000218312309	520958381	/nfs/dbraw/zinc/95/83/81/520958381.db2.gz	DJOJWSRSIIMNPK-OAHLLOKOSA-N	0	0	361.511	4.364	50	70		FIIARN
COc1ccc(CN(CCC2=CCCCC2)C(=O)[C@H]2CCC[C@@H](O)C2)cc1	ZINC000218430648	524011707	/nfs/dbraw/zinc/01/17/07/524011707.db2.gz	SERZSYDJHDTWAT-LEWJYISDSA-N	0	0	371.521	4.465	50	70		FIIARN
C[C@](O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1	ZINC000217502148	525175008	/nfs/dbraw/zinc/17/50/08/525175008.db2.gz	CNMAVNUXLKOQJL-SFHVURJKSA-N	0	0	363.841	4.331	50	70		FIIARN
O=C(/C=C/c1ccccc1)NCCn1nc(-c2ccsc2)cc1C1CC1	ZINC000217877476	527632140	/nfs/dbraw/zinc/63/21/40/527632140.db2.gz	ZHAUUSIZUQQCIN-RMKNXTFCSA-N	0	0	363.486	4.319	50	70		FIIARN
CC(C)[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1nc2ccccc2n1C	ZINC000218132484	568218262	/nfs/dbraw/zinc/21/82/62/568218262.db2.gz	FWKPLAJADPKKQU-FQEVSTJZSA-N	0	0	360.461	4.192	50	70		FIIARN
Cc1sc(-n2cccc2)nc1C(=O)N1CCCC[C@H]1c1cccnc1	ZINC000218117821	571352439	/nfs/dbraw/zinc/35/24/39/571352439.db2.gz	ACWMNACSXZXLKV-INIZCTEOSA-N	0	0	352.463	4.005	50	70	biogenic	FIIARN
O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1c1cccnc1	ZINC000218458067	222681638	/nfs/dbraw/zinc/68/16/38/222681638.db2.gz	YZVXLWYJMIHSBY-KRWDZBQOSA-N	0	0	364.367	4.277	50	70		FIIARN
Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(SCCO)cc2)C1	ZINC000217849601	525379259	/nfs/dbraw/zinc/37/92/59/525379259.db2.gz	RJHDIUPPBZLMSH-GOSISDBHSA-N	0	0	355.503	4.099	50	70		FIIARN
Cc1nc(-c2ccncc2)sc1C(=O)NCCSc1ccccc1	ZINC000218207882	526619159	/nfs/dbraw/zinc/61/91/59/526619159.db2.gz	SEESONKRXBMFTE-UHFFFAOYSA-N	0	0	355.488	4.036	50	70		FIIARN
Cn1nc(CN(C(=O)NCc2ccc(F)cc2)C2CCCC2)cc1C1CC1	ZINC000217900857	527554622	/nfs/dbraw/zinc/55/46/22/527554622.db2.gz	XVQIOFPFGVLXHZ-UHFFFAOYSA-N	0	0	370.472	4.091	50	70		FIIARN
CC(C)[C@@H](CO)NC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000218177247	568220543	/nfs/dbraw/zinc/22/05/43/568220543.db2.gz	SMDLETALVZXPND-CWTRNNRKSA-N	0	0	358.869	4.211	50	70		FIIARN
Cc1nn(C)c(C)c1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000217646843	571349607	/nfs/dbraw/zinc/34/96/07/571349607.db2.gz	DYZHPWFHHPPAIO-MRXNPFEDSA-N	0	0	370.305	4.232	50	70		FIIARN
CCCCCCn1nc(C)c(NC(=O)c2c[nH]c(=O)c3ccccc23)c1C	ZINC000218602886	222683711	/nfs/dbraw/zinc/68/37/11/222683711.db2.gz	SEVKDRHSGNOSHY-UHFFFAOYSA-N	0	0	366.465	4.174	50	70		FIIARN
C[C@](O)(CNC(=O)NCCCc1ccccc1)c1cc2ccccc2s1	ZINC000217522422	525173436	/nfs/dbraw/zinc/17/34/36/525173436.db2.gz	ZBGOVXDWYYSZKS-NRFANRHFSA-N	0	0	368.502	4.041	50	70		FIIARN
Cc1ccccc1CSCC(=O)N[C@H](C)c1cnn(-c2ccccc2)c1	ZINC000217504994	525181580	/nfs/dbraw/zinc/18/15/80/525181580.db2.gz	QGVUUWOOPDUZGV-QGZVFWFLSA-N	0	0	365.502	4.291	50	70		FIIARN
Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(F)cc1Cl	ZINC000217874197	526043301	/nfs/dbraw/zinc/04/33/01/526043301.db2.gz	GICAWALFAVZIJP-UHFFFAOYSA-N	0	0	363.845	4.143	50	70		FIIARN
C[C@H](c1ccncc1)N(C)C(=O)Cc1ccc2c(c1)c1ccccc1n2C	ZINC000216932650	526156917	/nfs/dbraw/zinc/15/69/17/526156917.db2.gz	BJBZKTSSTQYLBJ-MRXNPFEDSA-N	0	0	357.457	4.489	50	70		FIIARN
O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1C(F)(F)F	ZINC000217884670	526469486	/nfs/dbraw/zinc/46/94/86/526469486.db2.gz	ALFCSUPDQHRPEV-UHFFFAOYSA-N	0	0	365.380	4.060	50	70		FIIARN
COc1cc2c(cc1OC)CN(Cc1ccc([C@H]3CCCCO3)o1)CC2	ZINC000218763536	568250573	/nfs/dbraw/zinc/25/05/73/568250573.db2.gz	FAXNXSIYNSYCGP-GOSISDBHSA-N	0	0	357.450	4.097	50	70		FIIARN
CCC(CC)n1ncc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1C	ZINC000160936010	571201694	/nfs/dbraw/zinc/20/16/94/571201694.db2.gz	QRMYNHVZMVMONP-KRWDZBQOSA-N	0	0	361.873	4.460	50	70		FIIARN
O=C(Cc1cccc2ccccc21)N1CCC[C@]2(C1)OC(=O)c1ccccc12	ZINC000217598198	571349026	/nfs/dbraw/zinc/34/90/26/571349026.db2.gz	JZCPAURHEKRZHZ-XMMPIXPASA-N	0	0	371.436	4.071	50	70		FIIARN
O=C(c1cc(-c2ccccc2)on1)N1CCS[C@@H]1c1cccc(F)c1	ZINC000217634752	571349484	/nfs/dbraw/zinc/34/94/84/571349484.db2.gz	VBGKAGUXCJYYSV-LJQANCHMSA-N	0	0	354.406	4.369	50	70		FIIARN
COCCn1cc(CCC(=O)Nc2cccc3[nH]ccc32)c2ccccc21	ZINC000217998061	571351889	/nfs/dbraw/zinc/35/18/89/571351889.db2.gz	PAJOLXMSYCTEGM-UHFFFAOYSA-N	0	0	361.445	4.340	50	70	biogenic	FIIARN
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn2nccc2c1	ZINC000217958240	222676349	/nfs/dbraw/zinc/67/63/49/222676349.db2.gz	YMMGLUKZQZAHHX-SNVBAGLBSA-N	0	0	350.205	4.047	50	70		FIIARN
CCOc1ccccc1C(=O)N(Cc1cc(C2CC2)n(C)n1)C1CCCC1	ZINC000217898406	521453354	/nfs/dbraw/zinc/45/33/54/521453354.db2.gz	OQDFEANSBGVZQM-UHFFFAOYSA-N	0	0	367.493	4.281	50	70		FIIARN
CCCn1cnnc1[C@H](C)NC(=O)CCc1ccc(-c2ccc(C)cc2)o1	ZINC000218410200	521663358	/nfs/dbraw/zinc/66/33/58/521663358.db2.gz	KFOJCBNBXDIJJZ-INIZCTEOSA-N	0	0	366.465	4.067	50	70		FIIARN
Cc1cccc(-c2ccccc2C(=O)NCCc2noc(C3CCC3)n2)c1	ZINC000217214750	524110894	/nfs/dbraw/zinc/11/08/94/524110894.db2.gz	BIBUBXGLDUJPIC-UHFFFAOYSA-N	0	0	361.445	4.285	50	70		FIIARN
Cc1noc(C)c1CN(C)C(=O)CCc1ccc(-c2ccc(C)cc2)o1	ZINC000218389680	526500270	/nfs/dbraw/zinc/50/02/70/526500270.db2.gz	OHXRFBSWQJBUHC-UHFFFAOYSA-N	0	0	352.434	4.451	50	70		FIIARN
O=C1C[C@@H](c2ccc(F)c(F)c2)c2c(ccc3c(=O)c(Cl)coc32)O1	ZINC000218237078	568223725	/nfs/dbraw/zinc/22/37/25/568223725.db2.gz	USNAKDYZKHFBHV-JTQLQIEISA-N	0	0	362.715	4.166	50	70		FIIARN
Cc1noc(C)c1C(=O)N[C@H](c1nc2ccccc2n1C(C)C)C(C)C	ZINC000218308485	568227464	/nfs/dbraw/zinc/22/74/64/568227464.db2.gz	YWVUMBJWSUAAMJ-SFHVURJKSA-N	0	0	354.454	4.349	50	70		FIIARN
Cc1cccc([C@@H]2CCCN2C(=O)NCC2(c3c(F)cccc3F)CC2)n1	ZINC000161330495	571292025	/nfs/dbraw/zinc/29/20/25/571292025.db2.gz	MVULMSGJFFZFDI-SFHVURJKSA-N	0	0	371.431	4.247	50	70		FIIARN
Cc1c[nH]c(CNC(=O)c2ccccc2-c2ccc(F)cc2)c(C)c1=O	ZINC000218626190	222685593	/nfs/dbraw/zinc/68/55/93/222685593.db2.gz	FKVNBOZMGLJCJL-UHFFFAOYSA-N	0	0	350.393	4.140	50	70		FIIARN
CC1CCN(c2cccc(NC(=O)N3CCC(c4cc[nH]n4)CC3)c2)CC1	ZINC000159767553	132261247	/nfs/dbraw/zinc/26/12/47/132261247.db2.gz	FGMKHICLRSHTHU-UHFFFAOYSA-N	0	0	367.497	4.058	50	70		FIIARN
C[C@](O)(CNC(=O)CCSc1ccccc1)c1cc2ccccc2s1	ZINC000217503642	525170997	/nfs/dbraw/zinc/17/09/97/525170997.db2.gz	GNBFUUICMJICAX-FQEVSTJZSA-N	0	0	371.527	4.407	50	70		FIIARN
O=S(=O)(/C=C/c1ccccc1)Nc1ccsc1-c1nc(C2CC2)no1	ZINC000217286845	527157189	/nfs/dbraw/zinc/15/71/89/527157189.db2.gz	MKQMJIWRYJZHID-PKNBQFBNSA-N	0	0	373.459	4.088	50	70		FIIARN
[O-]c1c([C@H](c2ccccc2Cl)[NH+]2CCCCCC2)sc2ncnn12	ZINC000218470304	568235630	/nfs/dbraw/zinc/23/56/30/568235630.db2.gz	MHQUJBCOAKPQTK-AWEZNQCLSA-N	0	0	362.886	4.115	50	70		FIIARN
C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccccc1-n1cccn1	ZINC000159507201	571120364	/nfs/dbraw/zinc/12/03/64/571120364.db2.gz	VFDROUDSULQLHS-YWZLYKJASA-N	0	0	363.486	4.080	50	70		FIIARN
O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccc(F)cc1Cl	ZINC000217643371	571349620	/nfs/dbraw/zinc/34/96/20/571349620.db2.gz	AZVNGNSNGPTLBF-ZDUSSCGKSA-N	0	0	373.815	4.019	50	70		FIIARN