smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cccc([O-])c2cc1C3	ZINC000005924106	204231206	/nfs/dbraw/zinc/23/12/06/204231206.db2.gz	LCZZWLIDINBPRC-FQEVSTJZSA-N	-1	3	364.357	1.785	40	0		FDABHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000217361129	206363082	/nfs/dbraw/zinc/36/30/82/206363082.db2.gz	KSOHFXPAXCOLAG-LBPRGKRZSA-N	-1	3	362.429	1.184	40	0		FDABHM
COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)c(OC)c1	ZINC000012182525	518594566	/nfs/dbraw/zinc/59/45/66/518594566.db2.gz	RUMFSSRQCHVEGJ-UHFFFAOYSA-N	-1	3	370.453	1.946	40	0		FDABHM
Cn1cncc1CN1CCC[C@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1	ZINC000019291829	518806002	/nfs/dbraw/zinc/80/60/02/518806002.db2.gz	NLBNPTDKKSDHMK-HNNXBMFYSA-N	-1	3	356.474	1.873	40	0		FDABHM
CCc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)no1	ZINC000019523186	518815302	/nfs/dbraw/zinc/81/53/02/518815302.db2.gz	HGLXRMUVSQEWIQ-JTQLQIEISA-N	-1	3	364.427	1.408	40	0		FDABHM
CN(C)c1ncc(CN2CCc3c(nc(-c4ccncc4)[n-]c3=O)C2)cn1	ZINC000019585552	518820154	/nfs/dbraw/zinc/82/01/54/518820154.db2.gz	YQYKHWRGPQJQDP-UHFFFAOYSA-N	-1	3	363.425	1.246	40	0		FDABHM
CC(C)Cc1nnc([N-]C(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1	ZINC000041070405	519645224	/nfs/dbraw/zinc/64/52/24/519645224.db2.gz	OUYNTRLICOMYGS-UHFFFAOYSA-N	-1	3	369.472	1.193	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1F	ZINC000071980321	522145484	/nfs/dbraw/zinc/14/54/84/522145484.db2.gz	RTYUEOGPNTVQOO-HNNXBMFYSA-N	-1	3	350.390	1.953	40	0		FDABHM
CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccn2C)[C@@H](C(=O)[O-])C1	ZINC000096198753	525148398	/nfs/dbraw/zinc/14/83/98/525148398.db2.gz	YCWCCJBFWWJMDM-DOTOQJQBSA-N	-1	3	356.426	1.610	40	0		FDABHM
N[C@H](CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000101273567	525218202	/nfs/dbraw/zinc/21/82/02/525218202.db2.gz	SUYGZKLVNVTMNK-ZJUUUORDSA-N	-1	3	363.222	1.770	40	0		FDABHM
N[C@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-]	ZINC000101273560	525218396	/nfs/dbraw/zinc/21/83/96/525218396.db2.gz	KNEYGOJFOKQPQX-SCZZXKLOSA-N	-1	3	363.222	1.770	40	0		FDABHM
O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575405294	550460683	/nfs/dbraw/zinc/46/06/83/550460683.db2.gz	RZKLXHCMRLDROE-KRWDZBQOSA-N	-1	3	366.377	1.695	40	0		FDABHM
Cc1cncc(O[C@H]2CCOC3(CN(C(=O)c4cccc([O-])c4)C3)C2)n1	ZINC000575406077	550460720	/nfs/dbraw/zinc/46/07/20/550460720.db2.gz	VFPSLBORXUSYTC-INIZCTEOSA-N	-1	3	355.394	1.943	40	0		FDABHM
C[C@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585098196	551570229	/nfs/dbraw/zinc/57/02/29/551570229.db2.gz	RTDYMECMGUCVRI-AWEZNQCLSA-N	-1	3	368.437	1.971	40	0		FDABHM
Cc1ccc2nc(C(=O)N3CCOC[C@H]3c3cc(=O)[n-]c(C)n3)cn2c1	ZINC000257274972	571156999	/nfs/dbraw/zinc/15/69/99/571156999.db2.gz	NNLTVTGHMHZPJT-HNNXBMFYSA-N	-1	3	353.382	1.660	40	0		FDABHM
CCc1cc2ccccc2nc1SCC(=O)Nc1c[nH]c(=O)[n-]c1=O	ZINC000004849260	204169420	/nfs/dbraw/zinc/16/94/20/204169420.db2.gz	PGNVSUAYAAKWEX-UHFFFAOYSA-N	-1	3	356.407	1.905	40	0		FDABHM
Nc1cccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2Cl)c1	ZINC000005616308	204218071	/nfs/dbraw/zinc/21/80/71/204218071.db2.gz	ORKITLRKAFJQEE-UHFFFAOYSA-N	-1	3	361.832	1.370	40	0		FDABHM
NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21	ZINC000040399509	205069097	/nfs/dbraw/zinc/06/90/97/205069097.db2.gz	KSXXHIITCHMBCG-QMMMGPOBSA-N	-1	3	368.180	1.731	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]21	ZINC000012088726	518587635	/nfs/dbraw/zinc/58/76/35/518587635.db2.gz	OGLBKBMIISYWMD-PBHICJAKSA-N	-1	3	352.438	1.946	40	0		FDABHM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2[nH]c1=O	ZINC000013582087	518662291	/nfs/dbraw/zinc/66/22/91/518662291.db2.gz	BGUZQWCALAIFPP-UHFFFAOYSA-N	-1	3	351.771	1.671	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)c2cccc(F)c2)c(=O)[n-]1	ZINC000019286505	518805466	/nfs/dbraw/zinc/80/54/66/518805466.db2.gz	FYPJGUFGGQUYIY-CYBMUJFWSA-N	-1	3	356.361	1.267	40	0		FDABHM
Cc1c(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cnn1C	ZINC000019553160	518816403	/nfs/dbraw/zinc/81/64/03/518816403.db2.gz	LXTMZPFTILNWFI-AWEZNQCLSA-N	-1	3	364.409	1.504	40	0		FDABHM
COc1cccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1	ZINC000019565481	518818652	/nfs/dbraw/zinc/81/86/52/518818652.db2.gz	DEHMPCWSLNLNGE-UHFFFAOYSA-N	-1	3	370.453	1.216	40	0		FDABHM
CCN1CCN(c2nc(COC)c(CCc3ccccc3)c(=O)[n-]2)CC1	ZINC000022448745	518899873	/nfs/dbraw/zinc/89/98/73/518899873.db2.gz	OORYAEYEWLJENZ-UHFFFAOYSA-N	-1	3	356.470	1.843	40	0		FDABHM
CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(F)c(F)c1	ZINC000071980234	522143339	/nfs/dbraw/zinc/14/33/39/522143339.db2.gz	KIYDFLAFOIENGW-AWEZNQCLSA-N	-1	3	354.353	1.702	40	0		FDABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCOCC1	ZINC000047080907	522440140	/nfs/dbraw/zinc/44/01/40/522440140.db2.gz	ONPKFBGCUXBMBM-VIFPVBQESA-N	-1	3	367.254	1.519	40	0		FDABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCOCC1	ZINC000047080908	522440531	/nfs/dbraw/zinc/44/05/31/522440531.db2.gz	ONPKFBGCUXBMBM-SECBINFHSA-N	-1	3	367.254	1.519	40	0		FDABHM
N[C@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000101273554	525218182	/nfs/dbraw/zinc/21/81/82/525218182.db2.gz	WEKRWNXUMVTXMR-APPZFPTMSA-N	-1	3	363.222	1.770	40	0		FDABHM
COc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000225801524	537559833	/nfs/dbraw/zinc/55/98/33/537559833.db2.gz	VBEPLORKSCVOML-QMMMGPOBSA-N	-1	3	356.429	1.545	40	0		FDABHM
O=S1(=O)[N-][C@@H]2CN(Cc3ccncc3Cl)C[C@@H]2Oc2ncccc21	ZINC000514288770	560034309	/nfs/dbraw/zinc/03/43/09/560034309.db2.gz	BODPINDOTBRFJN-OLZOCXBDSA-N	-1	3	366.830	1.054	40	0	biogenic,in-vitro	FDABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NC[C@@H]1CCCO1	ZINC000409171874	570735161	/nfs/dbraw/zinc/73/51/61/570735161.db2.gz	CHZJMZUEPDRIPV-JTQLQIEISA-N	-1	3	367.254	1.567	40	0		FDABHM
COCc1ccc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)cc1	ZINC000257273965	571156974	/nfs/dbraw/zinc/15/69/74/571156974.db2.gz	NIYKXSNJTOYHCN-QGZVFWFLSA-N	-1	3	357.410	1.802	40	0		FDABHM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)CCn1ccnc1	ZINC000257323094	571161928	/nfs/dbraw/zinc/16/19/28/571161928.db2.gz	WISUJLOKULBDFF-LBPRGKRZSA-N	-1	3	351.432	1.154	40	0		FDABHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100781633	206225395	/nfs/dbraw/zinc/22/53/95/206225395.db2.gz	ISUQCQFSRIVKHU-OWYFMNJBSA-N	-1	3	369.506	1.508	40	0		FDABHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C[C@H](C)O1	ZINC000072335493	136144513	/nfs/dbraw/zinc/14/45/13/136144513.db2.gz	MIBKVPKXJROZAF-KBPBESRZSA-N	-1	3	355.442	1.749	40	0		FDABHM
Cc1nn(C)cc1CN1CCc2c(=O)[n-]c(N3CCC[C@H](C)C3)nc2C1	ZINC000072335616	136144675	/nfs/dbraw/zinc/14/46/75/136144675.db2.gz	LHUOUUPWRWEBIG-ZDUSSCGKSA-N	-1	3	356.474	1.606	40	0		FDABHM
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCO	ZINC000007361667	518417403	/nfs/dbraw/zinc/41/74/03/518417403.db2.gz	PIPUIKZOMAAVNF-UHFFFAOYSA-N	-1	3	364.423	1.283	40	0		FDABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)Nc1cccc(F)c1	ZINC000012144575	518591274	/nfs/dbraw/zinc/59/12/74/518591274.db2.gz	RULANUQLYYLTAT-UHFFFAOYSA-N	-1	3	371.416	1.506	40	0		FDABHM
O=C([C@H]1CCOC1)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000012257008	518600078	/nfs/dbraw/zinc/60/00/78/518600078.db2.gz	NNXGWFDKACTRCO-GJZGRUSLSA-N	-1	3	354.410	1.987	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)Cc2ccccc2F)c(=O)[n-]1	ZINC000012337181	518606669	/nfs/dbraw/zinc/60/66/69/518606669.db2.gz	SIHRTWHAARZGBM-CYBMUJFWSA-N	-1	3	370.388	1.608	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1ccc3c(c1)C[C@@H](C)O3)CC2	ZINC000019286394	518806726	/nfs/dbraw/zinc/80/67/26/518806726.db2.gz	CGWZTTZDQWERSM-CYBMUJFWSA-N	-1	3	367.449	1.962	40	0		FDABHM
C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496056	518811866	/nfs/dbraw/zinc/81/18/66/518811866.db2.gz	CHTPIMHENCHKKT-HUUCEWRRSA-N	-1	3	373.501	1.518	40	0		FDABHM
CCc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)no1	ZINC000019523187	518814403	/nfs/dbraw/zinc/81/44/03/518814403.db2.gz	HGLXRMUVSQEWIQ-SNVBAGLBSA-N	-1	3	364.427	1.408	40	0		FDABHM
Cc1c(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cnn1C	ZINC000019553166	518816829	/nfs/dbraw/zinc/81/68/29/518816829.db2.gz	GRAQLPOGZNZRRH-AWEZNQCLSA-N	-1	3	364.409	1.504	40	0		FDABHM
COC(=O)c1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc(C(=O)OC)c1	ZINC000019937514	518840588	/nfs/dbraw/zinc/84/05/88/518840588.db2.gz	NZXFGHJUHMCHCL-UHFFFAOYSA-N	-1	3	373.365	1.141	40	0		FDABHM
COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C23)cc1	ZINC000100355454	525213049	/nfs/dbraw/zinc/21/30/49/525213049.db2.gz	VBGOURWEMQKEQW-YOEHRIQHSA-N	-1	3	368.320	1.961	40	0		FDABHM
O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1ccsc1	ZINC000575402508	550460109	/nfs/dbraw/zinc/46/01/09/550460109.db2.gz	BIPJFUPRHPQHIO-DJIMGWMZSA-N	-1	3	372.446	1.971	40	0		FDABHM
C[C@@H]1c2nc(CC(=O)N3CCCC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585098197	551570093	/nfs/dbraw/zinc/57/00/93/551570093.db2.gz	RTDYMECMGUCVRI-CQSZACIVSA-N	-1	3	368.437	1.971	40	0		FDABHM
COc1ccc(CC(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)cc1	ZINC000257200637	571149014	/nfs/dbraw/zinc/14/90/14/571149014.db2.gz	AEEIYISLTIKREO-QGZVFWFLSA-N	-1	3	357.410	1.594	40	0		FDABHM
COc1ccccc1CC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257225156	571151786	/nfs/dbraw/zinc/15/17/86/571151786.db2.gz	FFCHKMFQELRWAE-CQSZACIVSA-N	-1	3	357.410	1.451	40	0		FDABHM
CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)Nc1ccccc1[O-])[C@@H]1OC(C)(C)O[C@H]21	ZINC000004560591	204147255	/nfs/dbraw/zinc/14/72/55/204147255.db2.gz	QYHDAPSRVVKNBC-SGPHBRAGSA-N	-1	3	365.382	1.727	40	0		FDABHM
CC(=O)Nc1cc(C(=O)N2CCOC[C@H]2c2cc(=O)[n-]c(C)n2)ccn1	ZINC000257225965	206603470	/nfs/dbraw/zinc/60/34/70/206603470.db2.gz	FIPUFRHPPLHEJN-AWEZNQCLSA-N	-1	3	357.370	1.058	40	0		FDABHM
Cc1cccc(C)c1N1C(=O)C[C@H](SC(C)(C)[C@@H](N)C(=O)[O-])C1=O	ZINC000000257886	518216928	/nfs/dbraw/zinc/21/69/28/518216928.db2.gz	PGNBRVSLALBTIU-FZMZJTMJSA-N	-1	3	350.440	1.859	40	0		FDABHM
O=C([C@@H]1CCOC1)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000012256999	518599672	/nfs/dbraw/zinc/59/96/72/518599672.db2.gz	NNXGWFDKACTRCO-LSDHHAIUSA-N	-1	3	354.410	1.987	40	0		FDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)[n-]1	ZINC000012367323	518607253	/nfs/dbraw/zinc/60/72/53/518607253.db2.gz	OLKJCPLRRZBQRX-GFCCVEGCSA-N	-1	3	356.382	1.607	40	0		FDABHM
O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1	ZINC000019014974	518800061	/nfs/dbraw/zinc/80/00/61/518800061.db2.gz	JOZMLYWKFDLBMB-MRXNPFEDSA-N	-1	3	370.453	1.941	40	0		FDABHM
O=C(C1CC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1	ZINC000019015093	518801119	/nfs/dbraw/zinc/80/11/19/518801119.db2.gz	WIBRJJOHJPWQRC-ZDUSSCGKSA-N	-1	3	356.426	1.203	40	0		FDABHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)[C@@H](C)CC)[C@@H](C)CC)C(=O)[O-]	ZINC000039945330	519637730	/nfs/dbraw/zinc/63/77/30/519637730.db2.gz	BBQABUDWDUKJMB-SAAWNECCSA-N	-1	3	357.495	1.506	40	0		FDABHM
CO[C@@H](C(=O)N1[C@@H]2CC[C@H]1Cc1c(nc(C)[n-]c1=O)C2)c1ccccc1	ZINC000072373141	522226465	/nfs/dbraw/zinc/22/64/65/522226465.db2.gz	AGDHTKBTRWCSSS-HDMKZQKVSA-N	-1	3	353.422	1.924	40	0		FDABHM
COc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)c1[O-]	ZINC000257217622	571151293	/nfs/dbraw/zinc/15/12/93/571151293.db2.gz	CZUMSETWVBUYRN-JTNHKYCSSA-N	-1	3	374.231	1.822	40	0		FDABHM
COC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](N)CC(=O)[O-]	ZINC000006002235	204233216	/nfs/dbraw/zinc/23/32/16/204233216.db2.gz	QSLZIGAHAQCYFC-LXDRRLLZSA-N	-1	3	352.431	1.053	40	0		FDABHM
NC(=O)[N-]n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O	ZINC000040395858	205069046	/nfs/dbraw/zinc/06/90/46/205069046.db2.gz	YRLACPZCLISVPW-UHFFFAOYSA-N	-1	3	355.745	1.382	40	0		FDABHM
COCc1nn2c(ncc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccccc1	ZINC000040396504	205069589	/nfs/dbraw/zinc/06/95/89/205069589.db2.gz	UVFZRZAXJUKSBI-UHFFFAOYSA-N	-1	3	364.365	1.480	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3ccc4nsnc4c3)C[C@H]21	ZINC000012120089	518588548	/nfs/dbraw/zinc/58/85/48/518588548.db2.gz	DVPUHAMSQRHHKT-YPMHNXCESA-N	-1	3	367.434	1.885	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)c2ccc(F)cc2)c(=O)[n-]1	ZINC000012337170	518605742	/nfs/dbraw/zinc/60/57/42/518605742.db2.gz	WSIIMCMGABRDDQ-CYBMUJFWSA-N	-1	3	356.361	1.679	40	0		FDABHM
CN(C)c1nc([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)[n-]1	ZINC000012367328	518607269	/nfs/dbraw/zinc/60/72/69/518607269.db2.gz	OLKJCPLRRZBQRX-LBPRGKRZSA-N	-1	3	356.382	1.607	40	0		FDABHM
CN(C)c1nc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)cc(=O)[n-]1	ZINC000012367314	518608218	/nfs/dbraw/zinc/60/82/18/518608218.db2.gz	NKGNLZGEMPILKU-CYBMUJFWSA-N	-1	3	370.409	1.536	40	0		FDABHM
CN1CCN(c2nc(CSc3nc4ccccc4o3)cc(=O)[n-]2)CC1	ZINC000013639754	518664534	/nfs/dbraw/zinc/66/45/34/518664534.db2.gz	MBCLCGOBXXLYIT-UHFFFAOYSA-N	-1	3	357.439	1.955	40	0		FDABHM
CCOC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccc(C)cc3)CC2)n1	ZINC000014608515	518694165	/nfs/dbraw/zinc/69/41/65/518694165.db2.gz	IESQNZMOUWGSBO-UHFFFAOYSA-N	-1	3	356.426	1.511	40	0		FDABHM
CC(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1	ZINC000019085529	518802214	/nfs/dbraw/zinc/80/22/14/518802214.db2.gz	TZFBAWOJOMXCKM-CQSZACIVSA-N	-1	3	372.469	1.839	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1ccc3c(c1)C[C@H](C)O3)CC2	ZINC000019286396	518805619	/nfs/dbraw/zinc/80/56/19/518805619.db2.gz	CGWZTTZDQWERSM-ZDUSSCGKSA-N	-1	3	367.449	1.962	40	0		FDABHM
C[C@H](c1cc(=O)[n-]c(N2CCN(C)CC2)n1)n1ncc2ccccc2c1=O	ZINC000019717496	518830951	/nfs/dbraw/zinc/83/09/51/518830951.db2.gz	ICMGGKIHBRHMJW-CYBMUJFWSA-N	-1	3	366.425	1.253	40	0		FDABHM
CCOc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCC3)c2=O)cc1	ZINC000222672626	537510565	/nfs/dbraw/zinc/51/05/65/537510565.db2.gz	JVMUMJKWIHBVFU-UHFFFAOYSA-N	-1	3	359.382	1.219	40	0		FDABHM
COc1cccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c1	ZINC000222671312	537512007	/nfs/dbraw/zinc/51/20/07/537512007.db2.gz	DTWPHQIGXHCIID-UHFFFAOYSA-N	-1	3	359.382	1.219	40	0		FDABHM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000223297920	537522255	/nfs/dbraw/zinc/52/22/55/537522255.db2.gz	ZNINYHBEDWRXOH-UHFFFAOYSA-N	-1	3	364.379	1.123	40	0		FDABHM
O=C(COC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2)N1CCCC1	ZINC000306129003	537601960	/nfs/dbraw/zinc/60/19/60/537601960.db2.gz	HRBNNRBAUBMXME-MRXNPFEDSA-N	-1	3	374.437	1.262	40	0		FDABHM
O=C(c1cnc(C2CC2)nc1)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257268292	571156303	/nfs/dbraw/zinc/15/63/03/571156303.db2.gz	MLALQXSTJQTWIJ-HNNXBMFYSA-N	-1	3	355.398	1.323	40	0		FDABHM
CCOC(=O)C(=O)[N-]c1sc(C(=O)OCC)c(C)c1C(=O)OCC	ZINC000005460646	204209342	/nfs/dbraw/zinc/20/93/42/204209342.db2.gz	BEODGYVYLWRWFZ-UHFFFAOYSA-N	-1	3	357.384	1.912	40	0		FDABHM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)c(Cl)c1	ZINC000005900557	204229896	/nfs/dbraw/zinc/22/98/96/204229896.db2.gz	JCNUOYZBEZPACG-UHFFFAOYSA-N	-1	3	360.844	1.929	40	0		FDABHM
Cc1cccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)n1	ZINC000072335464	136144392	/nfs/dbraw/zinc/14/43/92/136144392.db2.gz	TYGODDVGZVKNGB-GASCZTMLSA-N	-1	3	369.469	1.645	40	0		FDABHM
Cc1ccccc1CC(=O)N[C@H](C)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019237095	136152368	/nfs/dbraw/zinc/15/23/68/136152368.db2.gz	OQWWFNATFRYNLY-OAHLLOKOSA-N	-1	3	369.469	1.250	40	0		FDABHM
CCc1cc(=O)[n-]c(NC2CCN(CC(=O)NC3CCCCC3)CC2)n1	ZINC000012113701	518587315	/nfs/dbraw/zinc/58/73/15/518587315.db2.gz	HNGOIKYEWJGCMC-UHFFFAOYSA-N	-1	3	361.490	1.658	40	0		FDABHM
CN(C)c1ncc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cn1	ZINC000012122026	518589506	/nfs/dbraw/zinc/58/95/06/518589506.db2.gz	PTOWRFTUARLAJZ-UHFFFAOYSA-N	-1	3	363.425	1.659	40	0		FDABHM
CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccccn3)CC2)C1	ZINC000020463366	518851997	/nfs/dbraw/zinc/85/19/97/518851997.db2.gz	WWOFYEPFNCXXII-ROUUACIJSA-N	-1	3	374.485	1.553	40	0	biogenic,in-vitro	FDABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(CN2CCOCC2)c1	ZINC000077615050	523395830	/nfs/dbraw/zinc/39/58/30/523395830.db2.gz	VCYPMEHGYLJGFT-UHFFFAOYSA-N	-1	3	365.455	1.602	40	0		FDABHM
CCc1cc(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)on1	ZINC000012367274	536112996	/nfs/dbraw/zinc/11/29/96/536112996.db2.gz	DOANFPSYKYXQOP-GFCCVEGCSA-N	-1	3	373.413	1.199	40	0		FDABHM
Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3cnc(C)[n-]c3=O)C2)c1	ZINC000585277505	551577347	/nfs/dbraw/zinc/57/73/47/551577347.db2.gz	VZGKILCSKKTQIF-IBGZPJMESA-N	-1	3	357.410	1.845	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC[C@@H](c2nccnc2[N-]c2ncccn2)C1	ZINC000585293090	551580359	/nfs/dbraw/zinc/58/03/59/551580359.db2.gz	WPVGBVKQYMVXPP-NFBGWVBBSA-N	-1	3	367.457	1.834	40	0		FDABHM
COCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000409387988	570756935	/nfs/dbraw/zinc/75/69/35/570756935.db2.gz	BSBYABAYHVYIAB-VIFPVBQESA-N	-1	3	369.270	1.813	40	0		FDABHM
O=C(c1cnc(C2CC2)nc1)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257268293	571156363	/nfs/dbraw/zinc/15/63/63/571156363.db2.gz	MLALQXSTJQTWIJ-OAHLLOKOSA-N	-1	3	355.398	1.323	40	0		FDABHM
CCCn1ccnc1CN1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257299144	571159246	/nfs/dbraw/zinc/15/92/46/571159246.db2.gz	ROXBDKXQNYQRTO-ZDUSSCGKSA-N	-1	3	351.476	1.799	40	0		FDABHM
CCCn1ccnc1CN1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257299144	571159248	/nfs/dbraw/zinc/15/92/48/571159248.db2.gz	ROXBDKXQNYQRTO-ZDUSSCGKSA-N	-1	3	351.476	1.799	40	0		FDABHM
COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(C)=O	ZINC000000795946	206132588	/nfs/dbraw/zinc/13/25/88/206132588.db2.gz	KPONEMQHHUMJCC-CQSZACIVSA-N	-1	3	351.384	1.622	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1	ZINC000000812558	206134008	/nfs/dbraw/zinc/13/40/08/206134008.db2.gz	YRWRAEBLAZLGRD-KRWDZBQOSA-N	-1	3	360.391	1.471	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)Cc3cccs3)C2)c(=O)[n-]1	ZINC000012085003	518585253	/nfs/dbraw/zinc/58/52/53/518585253.db2.gz	VRGVBUGQYZCGKI-LBPRGKRZSA-N	-1	3	372.454	1.778	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1ccc3c(c1)OCCCO3)CC2	ZINC000019286404	518805427	/nfs/dbraw/zinc/80/54/27/518805427.db2.gz	GAROFUHUJWMMFQ-UHFFFAOYSA-N	-1	3	369.421	1.410	40	0		FDABHM
Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000022607773	518904528	/nfs/dbraw/zinc/90/45/28/518904528.db2.gz	XXJSXCYWOQOXGF-UHFFFAOYSA-N	-1	3	356.430	1.362	40	0		FDABHM
O=C([O-])[C@H](Cc1ccc(I)cc1)N1CCOCC1	ZINC000225144814	537543967	/nfs/dbraw/zinc/54/39/67/537543967.db2.gz	DMORDPLOLBDYQL-LBPRGKRZSA-N	-1	3	361.179	1.619	40	0		FDABHM
O=C(CC1CC1)NCC[C@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000306140241	571041554	/nfs/dbraw/zinc/04/15/54/571041554.db2.gz	UNTQSOOMGWXBFC-INIZCTEOSA-N	-1	3	358.438	1.930	40	0		FDABHM
Cc1cccc2nc(C(=O)N3CCO[C@H](c4cc(=O)[n-]c(C)n4)C3)cn21	ZINC000257327739	571162232	/nfs/dbraw/zinc/16/22/32/571162232.db2.gz	XCNFJYLJHHDEEA-HNNXBMFYSA-N	-1	3	353.382	1.660	40	0		FDABHM
COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(C)=O	ZINC000000795947	206133184	/nfs/dbraw/zinc/13/31/84/206133184.db2.gz	KPONEMQHHUMJCC-AWEZNQCLSA-N	-1	3	351.384	1.622	40	0		FDABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccccn2)C3)C[C@@H](C)O1	ZINC000072335491	136144325	/nfs/dbraw/zinc/14/43/25/136144325.db2.gz	OTUHZFMKSHJMSQ-ZIAGYGMSSA-N	-1	3	355.442	1.749	40	0		FDABHM
Cc1nc(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1C	ZINC000012113680	518587624	/nfs/dbraw/zinc/58/76/24/518587624.db2.gz	DOEMPRAYMBYQLP-UHFFFAOYSA-N	-1	3	370.409	1.832	40	0		FDABHM
COc1ccccc1CC(=O)N1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1	ZINC000012120022	518588648	/nfs/dbraw/zinc/58/86/48/518588648.db2.gz	JSNYLKRUYMNGAJ-ZBFHGGJFSA-N	-1	3	353.422	1.818	40	0		FDABHM
Cc1nn(C)cc1CN1CCc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c2C1	ZINC000012185146	518594430	/nfs/dbraw/zinc/59/44/30/518594430.db2.gz	GOLCZHZEPPPWBN-ZDUSSCGKSA-N	-1	3	356.474	1.606	40	0		FDABHM
Cc1ccc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cn1	ZINC000012367251	518608023	/nfs/dbraw/zinc/60/80/23/518608023.db2.gz	QKTFOHZHMKRMRF-HNNXBMFYSA-N	-1	3	369.425	1.352	40	0		FDABHM
COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000016194373	518745738	/nfs/dbraw/zinc/74/57/38/518745738.db2.gz	LRFQBTFPZDQSJP-UHFFFAOYSA-N	-1	3	364.423	1.629	40	0		FDABHM
Cc1cnn(CC(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1	ZINC000019239890	518805546	/nfs/dbraw/zinc/80/55/46/518805546.db2.gz	QZMVHVOPHHTDOY-OAHLLOKOSA-N	-1	3	364.409	1.353	40	0		FDABHM
O=C(COc1cccc(F)c1)NCc1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019294241	518806700	/nfs/dbraw/zinc/80/67/00/518806700.db2.gz	OYJAYAYRVPMSMR-UHFFFAOYSA-N	-1	3	354.341	1.666	40	0		FDABHM
CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000223302748	537522855	/nfs/dbraw/zinc/52/28/55/537522855.db2.gz	GGAKMGBUBDMQNM-UHFFFAOYSA-N	-1	3	356.429	1.374	40	0		FDABHM
O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](CN3CCOCC3)C2)CC1	ZINC000585104172	551572115	/nfs/dbraw/zinc/57/21/15/551572115.db2.gz	MERVZSYVRZDNOH-GOSISDBHSA-N	-1	3	360.454	1.736	40	0		FDABHM
Cc1nc(C(=O)N2CC[C@@H](Oc3ccccc3)[C@H](CC(N)=O)C2)cc(=O)[n-]1	ZINC000585275529	551577001	/nfs/dbraw/zinc/57/70/01/551577001.db2.gz	CHPMIXMSCMXXQO-CZUORRHYSA-N	-1	3	370.409	1.276	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nccnc1[N-]c1ncccn1	ZINC000585291407	551580578	/nfs/dbraw/zinc/58/05/78/551580578.db2.gz	CHMFEZJXKNCDLR-GBXSZLQWSA-N	-1	3	353.430	1.792	40	0		FDABHM
CCc1ccccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O	ZINC000222661894	568551073	/nfs/dbraw/zinc/55/10/73/568551073.db2.gz	MHSHMNXMAFDJFM-UHFFFAOYSA-N	-1	3	357.410	1.772	40	0		FDABHM
Cc1cc(F)ccc1CC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257281334	571157845	/nfs/dbraw/zinc/15/78/45/571157845.db2.gz	OORYVODEEQQJEM-AWEZNQCLSA-N	-1	3	359.401	1.890	40	0		FDABHM
Cc1nc([C@@H]2COCCN2C(=O)c2cccc3c2OCCO3)cc(=O)[n-]1	ZINC000257309439	571160573	/nfs/dbraw/zinc/16/05/73/571160573.db2.gz	UAYLKRMAIUKWEB-AWEZNQCLSA-N	-1	3	357.366	1.476	40	0		FDABHM
COCc1cccc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257330993	210001038	/nfs/dbraw/zinc/00/10/38/210001038.db2.gz	XQXQWRFWCDXGBG-KRWDZBQOSA-N	-1	3	357.410	1.802	40	0		FDABHM
O=C([O-])[C@@]12CN(Cc3cccnc3)C[C@@H]1CN(c1ncccn1)CCC2	ZINC000096185208	209131633	/nfs/dbraw/zinc/13/16/33/209131633.db2.gz	FLNUUHNOFIVCRY-APWZRJJASA-N	-1	3	353.426	1.675	40	0		FDABHM
O=C(CN1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1)NC1CCCC1	ZINC000012113694	207338576	/nfs/dbraw/zinc/33/85/76/207338576.db2.gz	PGFBVGDTCNNXQC-UHFFFAOYSA-N	-1	3	373.501	1.584	40	0		FDABHM
CN(C)c1nc([C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)cc(=O)[n-]1	ZINC000012367318	207364514	/nfs/dbraw/zinc/36/45/14/207364514.db2.gz	NKGNLZGEMPILKU-ZDUSSCGKSA-N	-1	3	370.409	1.536	40	0		FDABHM
Cc1cccc(C)c1N1C(=O)C[C@H](SC(C)(C)[C@H](N)C(=O)[O-])C1=O	ZINC000000257878	518217418	/nfs/dbraw/zinc/21/74/18/518217418.db2.gz	PGNBRVSLALBTIU-SMDDNHRTSA-N	-1	3	350.440	1.859	40	0		FDABHM
Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)o1	ZINC000012367255	518607077	/nfs/dbraw/zinc/60/70/77/518607077.db2.gz	KXLHBXMUPQTWNQ-CYBMUJFWSA-N	-1	3	373.413	1.253	40	0		FDABHM
O=C(C1CC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1	ZINC000019015091	518800437	/nfs/dbraw/zinc/80/04/37/518800437.db2.gz	WIBRJJOHJPWQRC-CYBMUJFWSA-N	-1	3	356.426	1.203	40	0		FDABHM
Cc1nc(C[C@@H](NC(=O)c2ccnn2C)c2ccc(F)cc2)cc(=O)[n-]1	ZINC000019285391	518805793	/nfs/dbraw/zinc/80/57/93/518805793.db2.gz	HCDGIFVCHCDVDB-OAHLLOKOSA-N	-1	3	355.373	1.665	40	0		FDABHM
O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575402596	550460308	/nfs/dbraw/zinc/46/03/08/550460308.db2.gz	CHUXXKRUEJGZIF-QGZVFWFLSA-N	-1	3	354.410	1.845	40	0		FDABHM
O=C(c1ccc2n[n-]nc2c1)N1CC[C@](O)(COc2cccc(F)c2)C1	ZINC000585275690	551576748	/nfs/dbraw/zinc/57/67/48/551576748.db2.gz	GGNITFVBZLLABA-GOSISDBHSA-N	-1	3	356.357	1.753	40	0		FDABHM
O=C([O-])COc1ccc(CN2CCOC[C@@H](Cc3ccncn3)C2)cc1	ZINC000257290921	571158701	/nfs/dbraw/zinc/15/87/01/571158701.db2.gz	QEVPGPGTCBTGPP-INIZCTEOSA-N	-1	3	357.410	1.631	40	0		FDABHM
Cc1c(CN2CCC[C@H](Cc3[n-]ncc3S(C)(=O)=O)C2)cnn1C	ZINC000257321216	571161686	/nfs/dbraw/zinc/16/16/86/571161686.db2.gz	WAPTZUKYDKFSFC-CYBMUJFWSA-N	-1	3	351.476	1.310	40	0		FDABHM
Cc1c(CN2CCC[C@H](Cc3n[n-]cc3S(C)(=O)=O)C2)cnn1C	ZINC000257321216	571161687	/nfs/dbraw/zinc/16/16/87/571161687.db2.gz	WAPTZUKYDKFSFC-CYBMUJFWSA-N	-1	3	351.476	1.310	40	0		FDABHM
C[C@H]1CCCC[C@@H]1NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496214	220260347	/nfs/dbraw/zinc/26/03/47/220260347.db2.gz	RTVJRJLMDQXMFP-HOCLYGCPSA-N	-1	3	373.501	1.423	40	0		FDABHM
C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NCCN2CCOCC2)n1	ZINC000019457500	220258735	/nfs/dbraw/zinc/25/87/35/220258735.db2.gz	ZENOPKKWXRSGRU-GFCCVEGCSA-N	-1	3	366.853	1.168	40	0		FDABHM
O=C(c1cc(F)cc(F)c1)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000012181469	207344776	/nfs/dbraw/zinc/34/47/76/207344776.db2.gz	WQOKRPSJQBNJTJ-UHFFFAOYSA-N	-1	3	360.364	1.847	40	0		FDABHM
Cc1nc2c(nnn2C[C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)c(=O)[n-]1	ZINC000012337302	207362830	/nfs/dbraw/zinc/36/28/30/207362830.db2.gz	FADIFWKGTGQNFN-GFCCVEGCSA-N	-1	3	370.388	1.927	40	0		FDABHM
Cc1nc2c(nnn2C2CCN(C(=O)c3ccccc3F)CC2)c(=O)[n-]1	ZINC000012336902	207364331	/nfs/dbraw/zinc/36/43/31/207364331.db2.gz	RJSXKWOBQAIQDL-UHFFFAOYSA-N	-1	3	356.361	1.852	40	0		FDABHM
CCOC(=O)[C@@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@@H]1c1cccc(Cl)c1	ZINC000001574778	518233347	/nfs/dbraw/zinc/23/33/47/518233347.db2.gz	WLIAOFCTAHDNDF-ZYHUDNBSSA-N	-1	3	350.758	1.572	40	0		FDABHM
Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000012229458	518598373	/nfs/dbraw/zinc/59/83/73/518598373.db2.gz	VKZIBDCRSXEQPY-ZIAGYGMSSA-N	-1	3	372.450	1.840	40	0		FDABHM
O=C(c1ccccn1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367170	518608210	/nfs/dbraw/zinc/60/82/10/518608210.db2.gz	IDHNGDXWIVDUJW-CYBMUJFWSA-N	-1	3	355.398	1.044	40	0		FDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c2=O)C1	ZINC000019019056	518800363	/nfs/dbraw/zinc/80/03/63/518800363.db2.gz	GJDVWPOBCRNHGH-LSDHHAIUSA-N	-1	3	370.453	1.759	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1ccc3c(c1)CCCO3)CC2	ZINC000019286403	518806961	/nfs/dbraw/zinc/80/69/61/518806961.db2.gz	SCMAMJDZBSSTEW-UHFFFAOYSA-N	-1	3	353.422	1.573	40	0		FDABHM
COCCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)CC1	ZINC000019448470	518811804	/nfs/dbraw/zinc/81/18/04/518811804.db2.gz	ZRKGVHUERCWRFJ-UHFFFAOYSA-N	-1	3	362.474	1.279	40	0		FDABHM
CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1	ZINC000019501640	518813952	/nfs/dbraw/zinc/81/39/52/518813952.db2.gz	LPPCGZIOYBXCOV-INIZCTEOSA-N	-1	3	372.469	1.918	40	0		FDABHM
COc1ccc(CN2CCc3c(nc(N4CCOCC4)[n-]c3=O)C2)cc1	ZINC000019555597	518816783	/nfs/dbraw/zinc/81/67/83/518816783.db2.gz	PSBKHJMXWRAXCD-UHFFFAOYSA-N	-1	3	356.426	1.586	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1OC	ZINC000071980355	522146277	/nfs/dbraw/zinc/14/62/77/522146277.db2.gz	DNSXDYIHVUXYNW-HNNXBMFYSA-N	-1	3	362.426	1.823	40	0		FDABHM
O=C(CC1CC1)NCC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2	ZINC000306140242	571041433	/nfs/dbraw/zinc/04/14/33/571041433.db2.gz	UNTQSOOMGWXBFC-MRXNPFEDSA-N	-1	3	358.438	1.930	40	0		FDABHM
O=C(c1noc2c1CCCC2)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257289474	571158730	/nfs/dbraw/zinc/15/87/30/571158730.db2.gz	PYTSRYMXTNLKTH-CYBMUJFWSA-N	-1	3	358.398	1.523	40	0		FDABHM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1	ZINC000264195128	179045954	/nfs/dbraw/zinc/04/59/54/179045954.db2.gz	NVXNQSPSILCRMM-UHFFFAOYSA-N	-1	3	364.427	1.718	40	0		FDABHM
O=C([O-])[C@@H]1CN2CCN(Cc3ccco3)C[C@@H]2CN(Cc2ccco2)C1	ZINC000107201062	209275728	/nfs/dbraw/zinc/27/57/28/209275728.db2.gz	ANVRRTZZSCHGDO-JKSUJKDBSA-N	-1	3	359.426	1.575	40	0		FDABHM
O=C(c1cccnc1)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1	ZINC000100745125	209217097	/nfs/dbraw/zinc/21/70/97/209217097.db2.gz	JLFZUEYJXKEHOP-CYBMUJFWSA-N	-1	3	363.377	1.975	40	0		FDABHM
COc1ccc(OC)c(NC(=O)C[C@@H](NCc2cccnc2)C(=O)[O-])c1	ZINC000004123481	518286337	/nfs/dbraw/zinc/28/63/37/518286337.db2.gz	GFZSSEIZWOGYSW-OAHLLOKOSA-N	-1	3	359.382	1.670	40	0		FDABHM
Cc1c(CN2CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C2)cnn1C	ZINC000012185091	518593948	/nfs/dbraw/zinc/59/39/48/518593948.db2.gz	KPSPUZUTPIIBOW-UHFFFAOYSA-N	-1	3	356.474	1.606	40	0		FDABHM
Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000012229457	518598129	/nfs/dbraw/zinc/59/81/29/518598129.db2.gz	VKZIBDCRSXEQPY-KBPBESRZSA-N	-1	3	372.450	1.840	40	0		FDABHM
O=C(c1cccnc1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367154	518607840	/nfs/dbraw/zinc/60/78/40/518607840.db2.gz	ZTWMKTCBFVIDSC-AWEZNQCLSA-N	-1	3	355.398	1.044	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)c1	ZINC000020107961	518844532	/nfs/dbraw/zinc/84/45/32/518844532.db2.gz	LOMCSXMKBYXUGY-UHFFFAOYSA-N	-1	3	359.835	1.049	40	0		FDABHM
COc1cccc(NC(=O)CN2CCC(Nc3nc(C)cc(=O)[n-]3)CC2)c1	ZINC000072341839	522220323	/nfs/dbraw/zinc/22/03/23/522220323.db2.gz	BWDJSMIBFYCPHY-UHFFFAOYSA-N	-1	3	371.441	1.602	40	0		FDABHM
CCc1nnc([N-]c2cc([C@H]3CCCN3C(=O)CNC)nc(C)n2)s1	ZINC000072360933	522225218	/nfs/dbraw/zinc/22/52/18/522225218.db2.gz	RXKTXRVUNCEHOO-GFCCVEGCSA-N	-1	3	361.475	1.825	40	0		FDABHM
O=C(c1cccc([O-])c1)N1Cc2cncn2[C@@H](C(=O)N2CCCCO2)C1	ZINC000585095918	551569072	/nfs/dbraw/zinc/56/90/72/551569072.db2.gz	BIHOVBLUKHIWSW-MRXNPFEDSA-N	-1	3	356.382	1.340	40	0		FDABHM
COC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408625735	570592072	/nfs/dbraw/zinc/59/20/72/570592072.db2.gz	UBSGAIFLZZBIIJ-ZJUUUORDSA-N	-1	3	364.851	1.167	40	0		FDABHM
Cc1nc([C@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)cc(=O)[n-]1	ZINC000257312928	571160814	/nfs/dbraw/zinc/16/08/14/571160814.db2.gz	UQFQLWUSEUILNX-OAHLLOKOSA-N	-1	3	357.366	1.476	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]c1C(=O)[O-]	ZINC000222670153	209732531	/nfs/dbraw/zinc/73/25/31/209732531.db2.gz	UICYMUFWJPWIBS-UHFFFAOYSA-N	-1	3	357.288	1.304	40	0		FDABHM
COCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1	ZINC000002457006	209396297	/nfs/dbraw/zinc/39/62/97/209396297.db2.gz	VVTUABBZLAUFCV-UHFFFAOYSA-N	-1	3	366.399	1.253	40	0		FDABHM
O=C([O-])[C@H]1C[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1	ZINC000096198723	209132986	/nfs/dbraw/zinc/13/29/86/209132986.db2.gz	JTEBZJMUURZZJR-DZGCQCFKSA-N	-1	3	356.419	1.528	40	0		FDABHM
Cc1nn2c(nnc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(Cl)cc1	ZINC000040396034	208250908	/nfs/dbraw/zinc/25/09/08/208250908.db2.gz	NXQXZKHCEDKZGR-UHFFFAOYSA-N	-1	3	369.772	1.690	40	0		FDABHM
COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1[O-]	ZINC000008091543	518452803	/nfs/dbraw/zinc/45/28/03/518452803.db2.gz	SDJBTRYGXQGSNY-XBXARRHUSA-N	-1	3	374.134	1.528	40	0		FDABHM
O=C(c1cccnc1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367149	518607762	/nfs/dbraw/zinc/60/77/62/518607762.db2.gz	ZTWMKTCBFVIDSC-CQSZACIVSA-N	-1	3	355.398	1.044	40	0		FDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c2=O)C1	ZINC000019019061	518801057	/nfs/dbraw/zinc/80/10/57/518801057.db2.gz	GJDVWPOBCRNHGH-HUUCEWRRSA-N	-1	3	370.453	1.759	40	0		FDABHM
Cc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)no1	ZINC000019286082	518806149	/nfs/dbraw/zinc/80/61/49/518806149.db2.gz	RTQZHQNXHOGEJW-UHFFFAOYSA-N	-1	3	362.411	1.156	40	0		FDABHM
O=C([C@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1	ZINC000019406370	518809916	/nfs/dbraw/zinc/80/99/16/518809916.db2.gz	PAXPJAGSGSLUKE-CYBMUJFWSA-N	-1	3	360.439	1.778	40	0		FDABHM
C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NCCN2CCCC2=O)n1	ZINC000019457493	518811319	/nfs/dbraw/zinc/81/13/19/518811319.db2.gz	PJRVVPIXJZXKGN-NSHDSACASA-N	-1	3	364.837	1.458	40	0		FDABHM
COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccco1)C3	ZINC000019962255	518840977	/nfs/dbraw/zinc/84/09/77/518840977.db2.gz	OBZPYRYKKVKTFG-LLVKDONJSA-N	-1	3	369.377	1.627	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1CN1CCCC1=O	ZINC000026832548	519140725	/nfs/dbraw/zinc/14/07/25/519140725.db2.gz	DHCQYUYUQPSKSX-UHFFFAOYSA-N	-1	3	363.439	1.892	40	0		FDABHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)Cc1ccc(Cl)cc1	ZINC000071980092	522143222	/nfs/dbraw/zinc/14/32/22/522143222.db2.gz	GXQGXLJRMMMTST-CQSZACIVSA-N	-1	3	352.818	1.616	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(F)cc1	ZINC000071980264	522144901	/nfs/dbraw/zinc/14/49/01/522144901.db2.gz	BQLFSKJHOVLHSE-HNNXBMFYSA-N	-1	3	350.390	1.953	40	0		FDABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCCO1	ZINC000585095710	551568942	/nfs/dbraw/zinc/56/89/42/551568942.db2.gz	FATXRUPEPKATST-HNNXBMFYSA-N	-1	3	356.382	1.340	40	0		FDABHM
Cc1cc(C)n2ncc(CN3CCO[C@@H](c4cc(=O)[n-]c(C)n4)C3)c2n1	ZINC000257201690	571149398	/nfs/dbraw/zinc/14/93/98/571149398.db2.gz	AIOXDMBEYUEJPW-MRXNPFEDSA-N	-1	3	354.414	1.724	40	0		FDABHM
Nc1nnc2nc(C=C([O-])c3ccccc3)c(CC(=O)c3ccccc3)nn12	ZINC000008655114	207240635	/nfs/dbraw/zinc/24/06/35/207240635.db2.gz	CXVJBPUUTPJSQW-UHFFFAOYSA-N	-1	3	372.388	1.952	40	0		FDABHM
Nc1nnc2nc(CC(=O)c3ccccc3)c(C=C([O-])c3ccccc3)nn12	ZINC000008655114	207240638	/nfs/dbraw/zinc/24/06/38/207240638.db2.gz	CXVJBPUUTPJSQW-UHFFFAOYSA-N	-1	3	372.388	1.952	40	0		FDABHM
Cc1nc2c(nnn2C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)c(=O)[n-]1	ZINC000012085011	207337228	/nfs/dbraw/zinc/33/72/28/207337228.db2.gz	IDDWBTVEFDBVCR-GFCCVEGCSA-N	-1	3	370.388	1.927	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(OC)cc1	ZINC000071980266	208791608	/nfs/dbraw/zinc/79/16/08/208791608.db2.gz	QWTSQZVHYRCUQO-INIZCTEOSA-N	-1	3	362.426	1.823	40	0		FDABHM
CCc1cc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)no1	ZINC000012367287	518607903	/nfs/dbraw/zinc/60/79/03/518607903.db2.gz	SFVUJDVXFQWORJ-LBPRGKRZSA-N	-1	3	373.413	1.199	40	0		FDABHM
CCOC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccc(F)cc3)CC2)n1	ZINC000014608517	518695065	/nfs/dbraw/zinc/69/50/65/518695065.db2.gz	FOXVWHJENDTRBZ-UHFFFAOYSA-N	-1	3	360.389	1.341	40	0		FDABHM
O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1	ZINC000019014972	518800455	/nfs/dbraw/zinc/80/04/55/518800455.db2.gz	JOZMLYWKFDLBMB-INIZCTEOSA-N	-1	3	370.453	1.941	40	0		FDABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c2=O)C1	ZINC000019019064	518800532	/nfs/dbraw/zinc/80/05/32/518800532.db2.gz	GJDVWPOBCRNHGH-CABCVRRESA-N	-1	3	370.453	1.759	40	0		FDABHM
O=c1[n-]c(-c2cnccn2)nc2c1CCN(Cc1cccc(F)c1)CC2	ZINC000019293908	518805412	/nfs/dbraw/zinc/80/54/12/518805412.db2.gz	VQBKQLQWQCPWJG-UHFFFAOYSA-N	-1	3	351.385	1.967	40	0		FDABHM
O=C(c1nc[nH]n1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344404	518808376	/nfs/dbraw/zinc/80/83/76/518808376.db2.gz	IVZSYNOWXWUBHQ-SNVBAGLBSA-N	-1	3	356.411	1.636	40	0		FDABHM
CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1	ZINC000019499102	518814082	/nfs/dbraw/zinc/81/40/82/518814082.db2.gz	JRMDHWOVFJKNGC-OAHLLOKOSA-N	-1	3	358.442	1.528	40	0		FDABHM
CCn1ncc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)c1C	ZINC000019523979	518814952	/nfs/dbraw/zinc/81/49/52/518814952.db2.gz	SFHVLSWPAUAUIX-UHFFFAOYSA-N	-1	3	365.441	1.353	40	0		FDABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H](C)n2nc(C)c(C)c2C)s1	ZINC000019556363	518817471	/nfs/dbraw/zinc/81/74/71/518817471.db2.gz	PKTIRTZHZJUIJX-QMMMGPOBSA-N	-1	3	371.488	1.763	40	0		FDABHM
CN(C)CCN(C)c1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[n-]1	ZINC000019582500	518820453	/nfs/dbraw/zinc/82/04/53/518820453.db2.gz	LFBPLZGKBXCTEM-ZDUSSCGKSA-N	-1	3	373.432	1.840	40	0		FDABHM
Cc1nc(C)c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)[n-]1	ZINC000019937482	518840685	/nfs/dbraw/zinc/84/06/85/518840685.db2.gz	IDLQNHLWZVJWCP-UHFFFAOYSA-N	-1	3	360.845	1.931	40	0		FDABHM
C[C@]1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1	ZINC000023743394	518964276	/nfs/dbraw/zinc/96/42/76/518964276.db2.gz	GTHBHBXEQKIWDK-NSHDSACASA-N	-1	3	358.268	1.849	40	0		FDABHM
CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(N(C)C)cc1	ZINC000071980244	522141766	/nfs/dbraw/zinc/14/17/66/522141766.db2.gz	VYDIAYPOJSBQOX-INIZCTEOSA-N	-1	3	361.442	1.490	40	0		FDABHM
CCCn1ncc(C(=O)N2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)c1C	ZINC000072336082	522217181	/nfs/dbraw/zinc/21/71/81/522217181.db2.gz	YLLRVIVNDVGCSZ-CJNGLKHVSA-N	-1	3	355.442	1.795	40	0		FDABHM
Cc1cccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000223019312	537517617	/nfs/dbraw/zinc/51/76/17/537517617.db2.gz	LKCGJWTZGDOWGO-UHFFFAOYSA-N	-1	3	354.453	1.845	40	0		FDABHM
COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000225801504	537560102	/nfs/dbraw/zinc/56/01/02/537560102.db2.gz	VBEPLORKSCVOML-MRVPVSSYSA-N	-1	3	356.429	1.545	40	0		FDABHM
COCCNC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cccc([O-])c1)CC2	ZINC000585096244	551569385	/nfs/dbraw/zinc/56/93/85/551569385.db2.gz	CSSQUOQVMVOBCL-GFCCVEGCSA-N	-1	3	358.398	1.182	40	0		FDABHM
Cc1nc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)cc(=O)[n-]1	ZINC000585288181	551579851	/nfs/dbraw/zinc/57/98/51/551579851.db2.gz	PZRWTTCKSXKZPD-ZSZQSSIHSA-N	-1	3	355.394	1.250	40	0		FDABHM
Cc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCC3)c2=O)cc1Cl	ZINC000222668085	568551737	/nfs/dbraw/zinc/55/17/37/568551737.db2.gz	NAIXKRJKSXYUHS-UHFFFAOYSA-N	-1	3	363.801	1.782	40	0		FDABHM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000257289584	571158765	/nfs/dbraw/zinc/15/87/65/571158765.db2.gz	PZHJBXVDZOVIJU-JTQLQIEISA-N	-1	3	359.411	1.319	40	0		FDABHM
Cc1cc(CC[C@H]2CN(C(=O)c3ccc4n[n-]nc4c3)CCO2)ncn1	ZINC000257314020	571160992	/nfs/dbraw/zinc/16/09/92/571160992.db2.gz	UVBDFCCXNVVJHR-HNNXBMFYSA-N	-1	3	352.398	1.530	40	0		FDABHM
CNc1nccnc1C[C@@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)C1	ZINC000257321265	571161660	/nfs/dbraw/zinc/16/16/60/571161660.db2.gz	WAWVZYAPWMIRKI-LBPRGKRZSA-N	-1	3	351.414	1.885	40	0		FDABHM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)CCn1ccnc1	ZINC000257323093	571162058	/nfs/dbraw/zinc/16/20/58/571162058.db2.gz	WISUJLOKULBDFF-GFCCVEGCSA-N	-1	3	351.432	1.154	40	0		FDABHM
CCCn1nnc(NC(=S)[N-]C(=O)COc2ccc(Cl)cc2)n1	ZINC000006593866	207148006	/nfs/dbraw/zinc/14/80/06/207148006.db2.gz	UKQWEQUNQHCOQT-UHFFFAOYSA-N	-1	3	354.823	1.629	40	0		FDABHM
O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1	ZINC000072399047	208844606	/nfs/dbraw/zinc/84/46/06/208844606.db2.gz	SIJSLGXTJIJFJE-CQSZACIVSA-N	-1	3	370.453	1.181	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CSc1ncnc3ccccc31)C2	ZINC000012155806	518592765	/nfs/dbraw/zinc/59/27/65/518592765.db2.gz	FPIBISBTZZLGIP-UHFFFAOYSA-N	-1	3	367.434	1.699	40	0		FDABHM
Cc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cn1	ZINC000012367247	518607554	/nfs/dbraw/zinc/60/75/54/518607554.db2.gz	QKTFOHZHMKRMRF-OAHLLOKOSA-N	-1	3	369.425	1.352	40	0		FDABHM
N[C@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000016900003	518771116	/nfs/dbraw/zinc/77/11/16/518771116.db2.gz	WEKRWNXUMVTXMR-VXNVDRBHSA-N	-1	3	363.222	1.770	40	0		FDABHM
CCc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1	ZINC000019522864	518814199	/nfs/dbraw/zinc/81/41/99/518814199.db2.gz	AGKRLLMHJCGSHZ-OAHLLOKOSA-N	-1	3	366.425	1.690	40	0		FDABHM
COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1	ZINC000019555671	518816232	/nfs/dbraw/zinc/81/62/32/518816232.db2.gz	PVUMSCIGCWSRNF-UHFFFAOYSA-N	-1	3	363.421	1.836	40	0		FDABHM
COc1ccc(NC(=O)CN2CCC(Nc3nc(C)cc(=O)[n-]3)CC2)cc1	ZINC000072341840	522220668	/nfs/dbraw/zinc/22/06/68/522220668.db2.gz	PKKKRXMZFWLUQY-UHFFFAOYSA-N	-1	3	371.441	1.602	40	0		FDABHM
CCc1nnc([N-]c2cc([C@@H]3CCCN3C(=O)CNC)nc(C)n2)s1	ZINC000072360932	522224409	/nfs/dbraw/zinc/22/44/09/522224409.db2.gz	RXKTXRVUNCEHOO-LBPRGKRZSA-N	-1	3	361.475	1.825	40	0		FDABHM
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2[O-])C1=O	ZINC000109146617	526081538	/nfs/dbraw/zinc/08/15/38/526081538.db2.gz	DOYGBEWXAHINOW-WEVVVXLNSA-N	-1	3	355.144	1.220	40	0		FDABHM
C[C@H](CO)N=c1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[n-]1	ZINC000329028648	537633647	/nfs/dbraw/zinc/63/36/47/537633647.db2.gz	PWKHUZXMMSHBML-CYBMUJFWSA-N	-1	3	353.401	1.926	40	0		FDABHM
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1ccco1	ZINC000575403339	550460529	/nfs/dbraw/zinc/46/05/29/550460529.db2.gz	HORQGPFQVSCVHX-YSVLISHTSA-N	-1	3	356.378	1.502	40	0		FDABHM
Cc1ccccc1OC[C@]1(O)COCCN(C(=O)c2cnc(C)[n-]c2=O)C1	ZINC000585278301	551578006	/nfs/dbraw/zinc/57/80/06/551578006.db2.gz	RLHAOAAERUUYSQ-LJQANCHMSA-N	-1	3	373.409	1.082	40	0		FDABHM
Cc1nc([C@@H]2COCCN2Cc2ccnc(N3CCCC3)n2)cc(=O)[n-]1	ZINC000257243591	571153521	/nfs/dbraw/zinc/15/35/21/571153521.db2.gz	IHRHGMJCTBSKLE-INIZCTEOSA-N	-1	3	356.430	1.454	40	0		FDABHM
COC(C)(C)C(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2	ZINC000257308045	571160558	/nfs/dbraw/zinc/16/05/58/571160558.db2.gz	TVEYATLJWBTKGK-QGHHPUGFSA-N	-1	3	351.403	1.608	40	0		FDABHM
Cn1c(CN2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)nc2ccccc21	ZINC000257334997	210002398	/nfs/dbraw/zinc/00/23/98/210002398.db2.gz	YIFSBNLEYAIHIA-AWEZNQCLSA-N	-1	3	353.426	1.760	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1	ZINC000000812557	209377021	/nfs/dbraw/zinc/37/70/21/209377021.db2.gz	YRWRAEBLAZLGRD-QGZVFWFLSA-N	-1	3	360.391	1.471	40	0		FDABHM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=N)NC(=N)N)c2)cc1	ZINC000005598755	207108172	/nfs/dbraw/zinc/10/81/72/207108172.db2.gz	ORVVQNBEQDMZAH-UHFFFAOYSA-N	-1	3	362.415	1.326	40	0		FDABHM
COC(=O)c1ccc(C(=O)N2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc1	ZINC000012120113	207340085	/nfs/dbraw/zinc/34/00/85/207340085.db2.gz	KHZFCIAOQXKVDT-ZBFHGGJFSA-N	-1	3	367.405	1.667	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(F)c1	ZINC000071980328	208791744	/nfs/dbraw/zinc/79/17/44/208791744.db2.gz	KIWLVTZVVLKSFT-OAHLLOKOSA-N	-1	3	350.390	1.953	40	0		FDABHM
O=C([C@H]1CCOC1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000012257003	518600164	/nfs/dbraw/zinc/60/01/64/518600164.db2.gz	NNXGWFDKACTRCO-CABCVRRESA-N	-1	3	354.410	1.987	40	0		FDABHM
Cc1cnn(CC(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1	ZINC000019239891	518806793	/nfs/dbraw/zinc/80/67/93/518806793.db2.gz	QZMVHVOPHHTDOY-HNNXBMFYSA-N	-1	3	364.409	1.353	40	0		FDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O	ZINC000020009294	518840491	/nfs/dbraw/zinc/84/04/91/518840491.db2.gz	CLGIJDNJMAXXAA-CYBMUJFWSA-N	-1	3	368.842	1.724	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(OC)c1	ZINC000071980345	522146090	/nfs/dbraw/zinc/14/60/90/522146090.db2.gz	KFLVOEALOYODKG-INIZCTEOSA-N	-1	3	362.426	1.823	40	0		FDABHM
O=C([O-])[C@H](Cc1c[nH]cn1)NCc1cnc(CCc2ccccc2)nc1	ZINC000218761690	537468079	/nfs/dbraw/zinc/46/80/79/537468079.db2.gz	FLQPUOJUOHEWFS-KRWDZBQOSA-N	-1	3	351.410	1.770	40	0		FDABHM
CCOc1ccccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O	ZINC000222672240	537510481	/nfs/dbraw/zinc/51/04/81/537510481.db2.gz	XQSXXHSZVYYGKZ-UHFFFAOYSA-N	-1	3	373.409	1.609	40	0		FDABHM
O=C(CC1CC1)NC[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1	ZINC000575403216	550460087	/nfs/dbraw/zinc/46/00/87/550460087.db2.gz	GPPAKTCYBXQTSY-HNNXBMFYSA-N	-1	3	358.438	1.930	40	0		FDABHM
CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100777302	209484621	/nfs/dbraw/zinc/48/46/21/209484621.db2.gz	SSBAWYYRBSCSAF-FZKCQIBNSA-N	-1	3	369.506	1.508	40	0		FDABHM
O=C(c1ccccn1)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1	ZINC000100745127	209217714	/nfs/dbraw/zinc/21/77/14/209217714.db2.gz	FAKPHSFTAZQVLI-GFCCVEGCSA-N	-1	3	363.377	1.975	40	0		FDABHM
Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@@H]2C(=O)[O-])c1	ZINC000096198716	209133028	/nfs/dbraw/zinc/13/30/28/209133028.db2.gz	BNLPBKHPBIITBM-GDBMZVCRSA-N	-1	3	352.456	1.697	40	0		FDABHM
O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1c[nH]c(=O)[n-]c1=O	ZINC000035314348	207130595	/nfs/dbraw/zinc/13/05/95/207130595.db2.gz	JPMPEVPZDBBDCG-UHFFFAOYSA-N	-1	3	373.369	1.390	40	0		FDABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)NC1CCCCC1	ZINC000012144567	207342089	/nfs/dbraw/zinc/34/20/89/207342089.db2.gz	WYUFBMFPRRYGOP-UHFFFAOYSA-N	-1	3	359.474	1.177	40	0		FDABHM
O=C(c1cc(F)cc(F)c1)N1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012144582	207342220	/nfs/dbraw/zinc/34/22/20/207342220.db2.gz	DZQOYNXFAQZMCJ-UHFFFAOYSA-N	-1	3	360.364	1.847	40	0		FDABHM
Cc1ccc(CC(=O)N2CCC(n3nnc4c3nc(C)[n-]c4=O)CC2)cc1	ZINC000012336929	207363747	/nfs/dbraw/zinc/36/37/47/207363747.db2.gz	PCLAMNJBXAOQPV-UHFFFAOYSA-N	-1	3	366.425	1.950	40	0		FDABHM
COc1ccccc1Cn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](C)C3	ZINC000019818763	207712701	/nfs/dbraw/zinc/71/27/01/207712701.db2.gz	LNRGLYCFTLEIHB-NSHDSACASA-N	-1	3	365.389	1.907	40	0		FDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)c(C)c2)cc1	ZINC000007361840	518418215	/nfs/dbraw/zinc/41/82/15/518418215.db2.gz	QAJHJADFKYVJRM-UHFFFAOYSA-N	-1	3	350.396	1.669	40	0		FDABHM
O=C(c1ccccn1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367175	518607585	/nfs/dbraw/zinc/60/75/85/518607585.db2.gz	IDHNGDXWIVDUJW-ZDUSSCGKSA-N	-1	3	355.398	1.044	40	0		FDABHM
CCCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)CCC)CC3)CC1	ZINC000019501170	518815099	/nfs/dbraw/zinc/81/50/99/518815099.db2.gz	XSOKTSQJHGMTJJ-UHFFFAOYSA-N	-1	3	374.485	1.961	40	0		FDABHM
CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3cc(=O)[n-]c(C)n3)C2)ccn1	ZINC000257279499	519703169	/nfs/dbraw/zinc/70/31/69/519703169.db2.gz	OGXUXNWHLRGAMC-CQSZACIVSA-N	-1	3	357.370	1.058	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(OC)cc1	ZINC000071980267	522145511	/nfs/dbraw/zinc/14/55/11/522145511.db2.gz	QWTSQZVHYRCUQO-MRXNPFEDSA-N	-1	3	362.426	1.823	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCn2ccnc2)c(Cl)c1	ZINC000020492653	525217031	/nfs/dbraw/zinc/21/70/31/525217031.db2.gz	UVNDXMBGFOFXSU-UHFFFAOYSA-N	-1	3	356.835	1.728	40	0		FDABHM
O=C(c1n[nH]c2ccccc21)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257279721	526913718	/nfs/dbraw/zinc/91/37/18/526913718.db2.gz	OHXDHYLPYAABBX-GFCCVEGCSA-N	-1	3	353.382	1.390	40	0		FDABHM
CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)cc1	ZINC000223000478	537517004	/nfs/dbraw/zinc/51/70/04/537517004.db2.gz	HGOKLJYLGADLQU-UHFFFAOYSA-N	-1	3	370.456	1.764	40	0		FDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1OC	ZINC000223297786	537522889	/nfs/dbraw/zinc/52/28/89/537522889.db2.gz	XOJBQSDTXUOOAL-UHFFFAOYSA-N	-1	3	366.395	1.369	40	0		FDABHM
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1ccsc1	ZINC000575402511	550460296	/nfs/dbraw/zinc/46/02/96/550460296.db2.gz	BIPJFUPRHPQHIO-USXIJHARSA-N	-1	3	372.446	1.971	40	0		FDABHM
O=S1(=O)[N-][C@@H]2CN(Cc3ccccc3Cl)C[C@@H]2Oc2ncccc21	ZINC000514288816	560033919	/nfs/dbraw/zinc/03/39/19/560033919.db2.gz	BWEGTAXQUAOFKI-KGLIPLIRSA-N	-1	3	365.842	1.659	40	0	biogenic,in-vitro	FDABHM
Cc1cc(C)cc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c1	ZINC000222661431	568550989	/nfs/dbraw/zinc/55/09/89/568550989.db2.gz	KRCNCESDALIFPF-UHFFFAOYSA-N	-1	3	357.410	1.827	40	0		FDABHM
COc1cccc(CC(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257322695	571161901	/nfs/dbraw/zinc/16/19/01/571161901.db2.gz	WGZYNZZTEKYWCR-KRWDZBQOSA-N	-1	3	357.410	1.594	40	0		FDABHM
N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002383057	571682435	/nfs/dbraw/zinc/68/24/35/571682435.db2.gz	JMCOUWKXLXDERB-AEFFLSMTSA-N	-1	3	351.406	1.850	40	0	endogenous,in-man	FDABHM
C[C@H]1CCCC[C@H]1NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496216	211223517	/nfs/dbraw/zinc/22/35/17/211223517.db2.gz	RTVJRJLMDQXMFP-GOEBONIOSA-N	-1	3	373.501	1.423	40	0		FDABHM
C[C@H]1CCC[C@H](C)N1C(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496058	211224436	/nfs/dbraw/zinc/22/44/36/211224436.db2.gz	CHTPIMHENCHKKT-GJZGRUSLSA-N	-1	3	373.501	1.518	40	0		FDABHM
CC(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1	ZINC000019085531	211202340	/nfs/dbraw/zinc/20/23/40/211202340.db2.gz	TZFBAWOJOMXCKM-AWEZNQCLSA-N	-1	3	372.469	1.839	40	0		FDABHM
COC(OC)c1nc(N)[n-]c(=O)c1Cc1ccc(Br)cc1	ZINC000016977912	211176308	/nfs/dbraw/zinc/17/63/08/211176308.db2.gz	NWWCUFXGTLOBTL-UHFFFAOYSA-N	-1	3	354.204	1.997	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1F	ZINC000071980322	221393950	/nfs/dbraw/zinc/39/39/50/221393950.db2.gz	RTYUEOGPNTVQOO-OAHLLOKOSA-N	-1	3	350.390	1.953	40	0		FDABHM
Cc1cccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)n1	ZINC000072335465	136144413	/nfs/dbraw/zinc/14/44/13/136144413.db2.gz	TYGODDVGZVKNGB-HUUCEWRRSA-N	-1	3	369.469	1.645	40	0		FDABHM
N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-]	ZINC000101273558	222266826	/nfs/dbraw/zinc/26/68/26/222266826.db2.gz	KNEYGOJFOKQPQX-WPRPVWTQSA-N	-1	3	363.222	1.770	40	0		FDABHM
COC(=O)[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](N)CC(=O)[O-]	ZINC000006002229	518360203	/nfs/dbraw/zinc/36/02/03/518360203.db2.gz	QSLZIGAHAQCYFC-CIQHSECKSA-N	-1	3	352.431	1.053	40	0		FDABHM
Cc1cc(C)n(CCC(=O)N2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)n1	ZINC000012120037	518589431	/nfs/dbraw/zinc/58/94/31/518589431.db2.gz	SSFKQXFJCMFDOD-ZBFHGGJFSA-N	-1	3	355.442	1.470	40	0		FDABHM
COc1ccc(CN2CCc3nc(C)[n-]c(=O)c3C2)cc1Cn1cccn1	ZINC000012145340	518592435	/nfs/dbraw/zinc/59/24/35/518592435.db2.gz	JJZKEYBFAFPIHF-UHFFFAOYSA-N	-1	3	365.437	1.890	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)c3cccs3)C2)c(=O)[n-]1	ZINC000012337282	518605908	/nfs/dbraw/zinc/60/59/08/518605908.db2.gz	LDYMVACRWNGRFJ-NSHDSACASA-N	-1	3	358.427	1.849	40	0		FDABHM
COc1ccccc1C(=O)NCc1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497059	518811973	/nfs/dbraw/zinc/81/19/73/518811973.db2.gz	FRMKCVCSVYGUKZ-UHFFFAOYSA-N	-1	3	356.426	1.945	40	0		FDABHM
Cc1nc([C@H]2COCCN2C(=O)c2cccc3c2OCCO3)cc(=O)[n-]1	ZINC000257309440	534502986	/nfs/dbraw/zinc/50/29/86/534502986.db2.gz	UAYLKRMAIUKWEB-CQSZACIVSA-N	-1	3	357.366	1.476	40	0		FDABHM
O=C([C@@H]1CCCO1)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1	ZINC000257301784	534585764	/nfs/dbraw/zinc/58/57/64/534585764.db2.gz	RZWVBPZAVJXJMJ-HNNXBMFYSA-N	-1	3	354.414	1.895	40	0		FDABHM
COc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)cc1OC	ZINC000072389566	522232505	/nfs/dbraw/zinc/23/25/05/522232505.db2.gz	VOLPGLDKEKLBLS-UHFFFAOYSA-N	-1	3	370.453	1.946	40	0		FDABHM
Cn1c(CN2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)nc2ccccc21	ZINC000257337221	534689038	/nfs/dbraw/zinc/68/90/38/534689038.db2.gz	YRXTXLXPCPMQAY-OAHLLOKOSA-N	-1	3	353.426	1.903	40	0		FDABHM
CCc1nccn1CCC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257310105	529759803	/nfs/dbraw/zinc/75/98/03/529759803.db2.gz	UDRUYDAHSCIFOR-CQSZACIVSA-N	-1	3	359.430	1.049	40	0		FDABHM
O=C(c1cnc(C2CC2)nc1)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257208983	223019983	/nfs/dbraw/zinc/01/99/83/223019983.db2.gz	BOJWBLIZSUXETH-GFCCVEGCSA-N	-1	3	355.398	1.181	40	0		FDABHM
O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257207274	223018868	/nfs/dbraw/zinc/01/88/68/223018868.db2.gz	BHAYIHRYVWONJG-LBPRGKRZSA-N	-1	3	357.414	1.115	40	0		FDABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)N1CCCCCC1	ZINC000019014936	211200235	/nfs/dbraw/zinc/20/02/35/211200235.db2.gz	VTPJIYWMUQDRHK-UHFFFAOYSA-N	-1	3	359.474	1.131	40	0		FDABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)C4CCCCC4)C3)[n-]c2=O)C1	ZINC000019019069	211199941	/nfs/dbraw/zinc/19/99/41/211199941.db2.gz	NLBHFEJTNKNNNL-HNNXBMFYSA-N	-1	3	372.469	1.983	40	0		FDABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1	ZINC000013521841	211037586	/nfs/dbraw/zinc/03/75/86/211037586.db2.gz	SOURQIMMUQNQAX-UHFFFAOYSA-N	-1	3	361.379	1.416	40	0		FDABHM
Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000012229451	518598391	/nfs/dbraw/zinc/59/83/91/518598391.db2.gz	VKZIBDCRSXEQPY-UONOGXRCSA-N	-1	3	372.450	1.840	40	0		FDABHM
O=C(NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2)c1cnccn1	ZINC000257264967	534416612	/nfs/dbraw/zinc/41/66/12/534416612.db2.gz	LWTCBXAHMIEZIU-QGHHPUGFSA-N	-1	3	357.370	1.287	40	0		FDABHM
CC(C)(C)c1cc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)[nH]n1	ZINC000257274107	526749655	/nfs/dbraw/zinc/74/96/55/526749655.db2.gz	NJPCMEFFUBRPLE-ZDUSSCGKSA-N	-1	3	359.430	1.677	40	0		FDABHM
COc1cccc(N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000223021293	537517072	/nfs/dbraw/zinc/51/70/72/537517072.db2.gz	KIDOWOIQYNZEBY-UHFFFAOYSA-N	-1	3	370.452	1.892	40	0		FDABHM
O=C([O-])[C@@H](Cc1ccc(I)cc1)N1CCOCC1	ZINC000225144774	537544743	/nfs/dbraw/zinc/54/47/43/537544743.db2.gz	DMORDPLOLBDYQL-GFCCVEGCSA-N	-1	3	361.179	1.619	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC[C@H](c2nccnc2[N-]c2ncccn2)C1	ZINC000585293091	551580639	/nfs/dbraw/zinc/58/06/39/551580639.db2.gz	WPVGBVKQYMVXPP-SZTZYQKNSA-N	-1	3	367.457	1.834	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2ccc(Br)cc2)c(=O)[nH]c1C(=O)[O-]	ZINC000222665624	568551517	/nfs/dbraw/zinc/55/15/17/568551517.db2.gz	FKTDGQRHUFZQMG-UHFFFAOYSA-N	-1	3	368.187	1.048	40	0		FDABHM
O=C(c1noc2c1CCCC2)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257289475	223052039	/nfs/dbraw/zinc/05/20/39/223052039.db2.gz	PYTSRYMXTNLKTH-ZDUSSCGKSA-N	-1	3	358.398	1.523	40	0		FDABHM
Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(-c2cccnc2)cc(=O)[n-]1	ZINC000019558995	211232990	/nfs/dbraw/zinc/23/29/90/211232990.db2.gz	KDBOKQOQCGIDQG-HNNXBMFYSA-N	-1	3	366.381	1.430	40	0		FDABHM
CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1	ZINC000019501641	211224913	/nfs/dbraw/zinc/22/49/13/211224913.db2.gz	LPPCGZIOYBXCOV-MRXNPFEDSA-N	-1	3	372.469	1.918	40	0		FDABHM
CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(N(C)C)cc1	ZINC000071980245	221392863	/nfs/dbraw/zinc/39/28/63/221392863.db2.gz	VYDIAYPOJSBQOX-MRXNPFEDSA-N	-1	3	361.442	1.490	40	0		FDABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccccn2)C3)C[C@H](C)O1	ZINC000072335489	136144428	/nfs/dbraw/zinc/14/44/28/136144428.db2.gz	OTUHZFMKSHJMSQ-OKILXGFUSA-N	-1	3	355.442	1.749	40	0		FDABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000100779274	222252950	/nfs/dbraw/zinc/25/29/50/222252950.db2.gz	ZVDLSJPOZVWMBQ-RBGFHDKUSA-N	-1	3	369.506	1.508	40	0		FDABHM
CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)CC)s1	ZINC000223573960	517734980	/nfs/dbraw/zinc/73/49/80/517734980.db2.gz	SBSOVJGYPQSZOE-UHFFFAOYSA-N	-1	3	370.456	1.764	40	0		FDABHM
O=c1[n-]c(N2CCOCC2)nc2c1CN(Cc1ccccc1Cl)CC2	ZINC000012145344	518592858	/nfs/dbraw/zinc/59/28/58/518592858.db2.gz	IGHBIMGVAPHDMD-UHFFFAOYSA-N	-1	3	360.845	1.818	40	0		FDABHM
O=C(c1cnccn1)N1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1	ZINC000072377791	522229077	/nfs/dbraw/zinc/22/90/77/522229077.db2.gz	FZYMMHCIRRDPHJ-ZDUSSCGKSA-N	-1	3	362.397	1.820	40	0		FDABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCSc1nc[nH]n1	ZINC000223003668	537517589	/nfs/dbraw/zinc/51/75/89/537517589.db2.gz	NHEGBDXFICJYGC-UHFFFAOYSA-N	-1	3	362.864	1.927	40	0		FDABHM
O=C(c1cccc([O-])c1)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1	ZINC000575404970	550460465	/nfs/dbraw/zinc/46/04/65/550460465.db2.gz	PUYGDAISWDWXDF-MRXNPFEDSA-N	-1	3	356.382	1.340	40	0		FDABHM
COc1ccc(CN2C[C@H]3[N-]S(=O)(=O)c4cccnc4O[C@H]3C2)cc1	ZINC000514289162	560033274	/nfs/dbraw/zinc/03/32/74/560033274.db2.gz	FPMHRRFSGYKNIU-CABCVRRESA-N	-1	3	361.423	1.014	40	0	biogenic,in-vitro	FDABHM
Cn1cnc(S(=O)(=O)[N-]Cc2cnc([C@@]3(C)CCCCO3)nc2)c1	ZINC000257275869	571157335	/nfs/dbraw/zinc/15/73/35/571157335.db2.gz	NRIIEJQKIGPVRI-OAHLLOKOSA-N	-1	3	351.432	1.104	40	0		FDABHM
CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CC3)[n-]c2=O)C1	ZINC000019499101	211226322	/nfs/dbraw/zinc/22/63/22/211226322.db2.gz	JRMDHWOVFJKNGC-HNNXBMFYSA-N	-1	3	358.442	1.528	40	0		FDABHM
COCCNc1nc([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[n-]1	ZINC000019235579	211210222	/nfs/dbraw/zinc/21/02/22/211210222.db2.gz	QTAYIFNQSCUGTK-CQSZACIVSA-N	-1	3	356.426	1.966	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(F)cc1	ZINC000071980265	221393075	/nfs/dbraw/zinc/39/30/75/221393075.db2.gz	BQLFSKJHOVLHSE-OAHLLOKOSA-N	-1	3	350.390	1.953	40	0		FDABHM
COCC(=O)N1CCC[C@H](c2cncc([N-]c3nc(C)cc(C)n3)n2)C1	ZINC000072354345	221479377	/nfs/dbraw/zinc/47/93/77/221479377.db2.gz	ZKVDUAWJSFNBCA-AWEZNQCLSA-N	-1	3	356.430	1.979	40	0		FDABHM
COc1ccc(C)cc1CC(=O)N1CCOC[C@@H]1c1cc(=O)[n-]c(C)n1	ZINC000257277519	533379281	/nfs/dbraw/zinc/37/92/81/533379281.db2.gz	NYGYBSQGQMTLNQ-MRXNPFEDSA-N	-1	3	357.410	1.950	40	0		FDABHM
CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccn2C)[C@H](C(=O)[O-])C1	ZINC000096198755	222072938	/nfs/dbraw/zinc/07/29/38/222072938.db2.gz	YCWCCJBFWWJMDM-RDJZCZTQSA-N	-1	3	356.426	1.610	40	0		FDABHM
CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100778972	222253194	/nfs/dbraw/zinc/25/31/94/222253194.db2.gz	TUWPUOCSWFVTOY-LJISPDSOSA-N	-1	3	355.479	1.118	40	0		FDABHM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N)cc2)cc(C(=O)OC)c1	ZINC000001703112	518234184	/nfs/dbraw/zinc/23/41/84/518234184.db2.gz	XPYNYFCHWUVCLV-UHFFFAOYSA-N	-1	3	364.379	1.643	40	0		FDABHM
CCOc1cc([C@H]2C(C(=O)OC)C(C)=Nc3nnnn32)cc(Cl)c1[O-]	ZINC000004502631	518301463	/nfs/dbraw/zinc/30/14/63/518301463.db2.gz	AJDSOKALDZDVAW-LBPRGKRZSA-N	-1	3	365.777	1.893	40	0		FDABHM
Cc1cccc2cc3c(N)c(C(=O)Nc4c[nH]c(=O)[n-]c4=O)sc3nc12	ZINC000004848761	518314770	/nfs/dbraw/zinc/31/47/70/518314770.db2.gz	SLAGMICPIKXFHQ-UHFFFAOYSA-N	-1	3	367.390	1.969	40	0		FDABHM
Cc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[n-]3)CC2)c(C)c1C	ZINC000012146194	518593608	/nfs/dbraw/zinc/59/36/08/518593608.db2.gz	ZIIFKUJHINAGDR-UHFFFAOYSA-N	-1	3	372.473	1.294	40	0		FDABHM
Cn1cncc1CN1CCC[C@@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1	ZINC000019291828	518806809	/nfs/dbraw/zinc/80/68/09/518806809.db2.gz	NLBNPTDKKSDHMK-OAHLLOKOSA-N	-1	3	356.474	1.873	40	0		FDABHM
C[C@@H](NC(=O)c1cccc(F)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458388	518812843	/nfs/dbraw/zinc/81/28/43/518812843.db2.gz	OHLJAOFDISQECN-GFCCVEGCSA-N	-1	3	359.405	1.152	40	0		FDABHM
Cc1c(Cl)cccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222666724	568551661	/nfs/dbraw/zinc/55/16/61/568551661.db2.gz	VXDVHRHOUIOXOG-UHFFFAOYSA-N	-1	3	363.801	1.782	40	0		FDABHM
O=C(c1cnc(C2CC2)nc1)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257208984	223019533	/nfs/dbraw/zinc/01/95/33/223019533.db2.gz	BOJWBLIZSUXETH-LBPRGKRZSA-N	-1	3	355.398	1.181	40	0		FDABHM
O=c1cc(C[C@@H]2COCCN(S(=O)(=O)C3CCCCC3)C2)nc[n-]1	ZINC000257325392	223066679	/nfs/dbraw/zinc/06/66/79/223066679.db2.gz	WSTHVZWQJFKZFS-ZDUSSCGKSA-N	-1	3	355.460	1.336	40	0		FDABHM
C[C@H](c1cc(=O)[n-]c(NC2CCOCC2)n1)n1ncc2ccccc2c1=O	ZINC000019717490	211249151	/nfs/dbraw/zinc/24/91/51/211249151.db2.gz	OXCAFIOROAPKBJ-GFCCVEGCSA-N	-1	3	367.409	1.680	40	0		FDABHM
CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)[n-]c2=O)C1	ZINC000019448460	211222231	/nfs/dbraw/zinc/22/22/31/211222231.db2.gz	RLARQZYAMRABTO-QGZVFWFLSA-N	-1	3	374.485	1.421	40	0		FDABHM
O=C(c1nc[nH]n1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344407	211215565	/nfs/dbraw/zinc/21/55/65/211215565.db2.gz	IVZSYNOWXWUBHQ-JTQLQIEISA-N	-1	3	356.411	1.636	40	0		FDABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c2=O)C1	ZINC000019019058	211200394	/nfs/dbraw/zinc/20/03/94/211200394.db2.gz	GJDVWPOBCRNHGH-GJZGRUSLSA-N	-1	3	370.453	1.759	40	0		FDABHM
COc1ccccc1CC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257225155	534010156	/nfs/dbraw/zinc/01/01/56/534010156.db2.gz	FFCHKMFQELRWAE-AWEZNQCLSA-N	-1	3	357.410	1.451	40	0		FDABHM
Cc1cc(C)n2ncc(CN3CCOC[C@H]3c3cc(=O)[n-]c(C)n3)c2n1	ZINC000257328450	534129379	/nfs/dbraw/zinc/12/93/79/534129379.db2.gz	XFRJDCBPSPWEFR-INIZCTEOSA-N	-1	3	354.414	1.724	40	0		FDABHM
CCn1ncc(CN2CCc3c(=O)[n-]c(-c4cccnc4)nc3C2)c1C	ZINC000012276764	518599243	/nfs/dbraw/zinc/59/92/43/518599243.db2.gz	IBUDBLLDZGWDSG-UHFFFAOYSA-N	-1	3	350.426	1.915	40	0		FDABHM
COc1ccc(OC)c(NC(=O)[C@H]2C=C([O-])NC(Nc3ccccc3)=N2)c1	ZINC000014606996	518694426	/nfs/dbraw/zinc/69/44/26/518694426.db2.gz	OEANKOZJRBPFLK-OAHLLOKOSA-N	-1	3	368.393	1.999	40	0		FDABHM
CCC(=O)N[C@@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1	ZINC000019499237	518814493	/nfs/dbraw/zinc/81/44/93/518814493.db2.gz	RZCXXKOAVIBPDW-INIZCTEOSA-N	-1	3	374.416	1.556	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1N1C(=O)CSC1=O	ZINC000028284035	519230970	/nfs/dbraw/zinc/23/09/70/519230970.db2.gz	RWESBPSAZFIAQO-WDEREUQCSA-N	-1	3	373.456	1.576	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1Cl	ZINC000030865733	519398299	/nfs/dbraw/zinc/39/82/99/519398299.db2.gz	LFVAREVZTHMYAQ-UHFFFAOYSA-N	-1	3	359.835	1.049	40	0		FDABHM
Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1	ZINC000072354338	522221981	/nfs/dbraw/zinc/22/19/81/522221981.db2.gz	PIQIOEXHYGRNPM-CYBMUJFWSA-N	-1	3	362.459	1.766	40	0		FDABHM
Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN(C(=O)CN(C)C)C3)n2)n1	ZINC000072354366	522222747	/nfs/dbraw/zinc/22/27/47/522222747.db2.gz	JBLBWPLRWMSDJG-OAHLLOKOSA-N	-1	3	369.473	1.895	40	0		FDABHM
COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000222739891	537510411	/nfs/dbraw/zinc/51/04/11/537510411.db2.gz	YQSMNERUUJTACB-UHFFFAOYSA-N	-1	3	370.456	1.620	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1C(=O)[O-]	ZINC000222669693	537511860	/nfs/dbraw/zinc/51/18/60/537511860.db2.gz	OMZRAYFYSNFIHL-UHFFFAOYSA-N	-1	3	358.181	1.592	40	0		FDABHM
CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(OC)cc1	ZINC000223759569	537533337	/nfs/dbraw/zinc/53/33/37/537533337.db2.gz	GLXSPIDWYIEANM-GFCCVEGCSA-N	-1	3	370.456	1.935	40	0		FDABHM
O=C(NCc1ccco1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585096052	551568981	/nfs/dbraw/zinc/56/89/81/551568981.db2.gz	PCGXTDYDDNMMCE-KRWDZBQOSA-N	-1	3	366.377	1.695	40	0		FDABHM
COCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000409390914	570755856	/nfs/dbraw/zinc/75/58/56/570755856.db2.gz	MESCRVFXLLWZPX-MRVPVSSYSA-N	-1	3	355.243	1.423	40	0		FDABHM
O=C(CO[C@@H]1CCOC2(CN(C(=O)c3cccc([O-])c3)C2)C1)N1CCCC1	ZINC000585093701	571220064	/nfs/dbraw/zinc/22/00/64/571220064.db2.gz	UCBDKAFNNFVXQJ-QGZVFWFLSA-N	-1	3	374.437	1.405	40	0		FDABHM
CCn1cc(CN2CCC[C@H](Cc3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000257305428	223059201	/nfs/dbraw/zinc/05/92/01/223059201.db2.gz	SPYOZVZCFZZZME-CYBMUJFWSA-N	-1	3	351.476	1.484	40	0		FDABHM
CCn1cc(CN2CCC[C@H](Cc3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000257305428	223059203	/nfs/dbraw/zinc/05/92/03/223059203.db2.gz	SPYOZVZCFZZZME-CYBMUJFWSA-N	-1	3	351.476	1.484	40	0		FDABHM
CCc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)no1	ZINC000019523189	211227999	/nfs/dbraw/zinc/22/79/99/211227999.db2.gz	AEUHWLOIIAWJTD-UHFFFAOYSA-N	-1	3	350.400	1.020	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1ccc3c(c1)C[C@H](C)O3)CC2	ZINC000019286401	211211895	/nfs/dbraw/zinc/21/18/95/211211895.db2.gz	GXBDPAOWVDRECN-LBPRGKRZSA-N	-1	3	353.422	1.572	40	0		FDABHM
O=C(C1CC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1	ZINC000019015095	211199816	/nfs/dbraw/zinc/19/98/16/211199816.db2.gz	BQVWNDVVXSIQHC-CYBMUJFWSA-N	-1	3	356.426	1.203	40	0		FDABHM
COc1ccc(S(=O)(=O)n2nc([N-]C(C)=O)sc2=S)cc1N	ZINC000016321589	211159349	/nfs/dbraw/zinc/15/93/49/211159349.db2.gz	SXKDZBDVTGSXQK-UHFFFAOYSA-N	-1	3	360.442	1.460	40	0		FDABHM
CCOc1ccc2[n-]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1	ZINC000019519891	220265903	/nfs/dbraw/zinc/26/59/03/220265903.db2.gz	PQEAEEQEZXQQJD-UHFFFAOYSA-N	-1	3	359.426	1.379	40	0		FDABHM
CC(=O)N1CC[C@@H](n2cccn2)c2cc(NC(=O)c3nc[n-]n3)ccc21	ZINC000096087116	132218978	/nfs/dbraw/zinc/21/89/78/132218978.db2.gz	NWIRMPRRTQBFEW-OAHLLOKOSA-N	-1	3	351.370	1.600	40	0		FDABHM
N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000101273563	222266348	/nfs/dbraw/zinc/26/63/48/222266348.db2.gz	SUYGZKLVNVTMNK-UWVGGRQHSA-N	-1	3	363.222	1.770	40	0		FDABHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1	ZINC000146395629	222546741	/nfs/dbraw/zinc/54/67/41/222546741.db2.gz	XPGHHALICCIICF-UHFFFAOYSA-N	-1	3	367.354	1.820	40	0		FDABHM
CN1CCN(c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[n-]2)CC1	ZINC000019590104	518821348	/nfs/dbraw/zinc/82/13/48/518821348.db2.gz	RKBMXCHZCGQPNQ-MRXNPFEDSA-N	-1	3	367.453	1.450	40	0		FDABHM
COC(=O)[C@@H](C[C@H](OC)c1c([O-])cc2cc(C)oc(=O)c2c1O)OC	ZINC000031168793	519415596	/nfs/dbraw/zinc/41/55/96/519415596.db2.gz	TWSUSRQZTZUYSD-NWDGAFQWSA-N	-1	3	352.339	1.778	40	0	biogenic,in-vitro	FDABHM
Cc1nn2c(nnc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(F)cc1	ZINC000040392031	519642751	/nfs/dbraw/zinc/64/27/51/519642751.db2.gz	LJMKIVJEGMLETA-UHFFFAOYSA-N	-1	3	353.317	1.176	40	0		FDABHM
O=C(C1CC1)N1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1	ZINC000072399046	522232558	/nfs/dbraw/zinc/23/25/58/522232558.db2.gz	SIJSLGXTJIJFJE-AWEZNQCLSA-N	-1	3	370.453	1.181	40	0		FDABHM
CCCCc1nc(CN2CC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)c[nH]1	ZINC000257237478	529040033	/nfs/dbraw/zinc/04/00/33/529040033.db2.gz	HGQLWPBPTSDYBL-GFCCVEGCSA-N	-1	3	351.476	1.868	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(=O)[O-]	ZINC000222668786	537511648	/nfs/dbraw/zinc/51/16/48/537511648.db2.gz	QLNGYEFBCBIFBF-UHFFFAOYSA-N	-1	3	358.181	1.592	40	0		FDABHM
CN(C)C(=O)CO[C@@H]1CSC2(CN(C(=O)c3cccc([O-])c3)C2)C1	ZINC000575404050	550460388	/nfs/dbraw/zinc/46/03/88/550460388.db2.gz	PKANTGGPBISROQ-AWEZNQCLSA-N	-1	3	350.440	1.197	40	0		FDABHM
C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585096373	551569531	/nfs/dbraw/zinc/56/95/31/551569531.db2.gz	KNIQDUVUIDHMBT-ZDUSSCGKSA-N	-1	3	368.437	1.874	40	0		FDABHM
Cn1cnc(S(=O)(=O)[N-]Cc2cnc([C@]3(C)CCCCO3)nc2)c1	ZINC000257275868	571157177	/nfs/dbraw/zinc/15/71/77/571157177.db2.gz	NRIIEJQKIGPVRI-HNNXBMFYSA-N	-1	3	351.432	1.104	40	0		FDABHM
CCc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)cc1	ZINC000222662337	222744068	/nfs/dbraw/zinc/74/40/68/222744068.db2.gz	MGRWWEHQVDYXJV-UHFFFAOYSA-N	-1	3	357.410	1.772	40	0		FDABHM
CN1CCN(CC[N-]S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000022933227	211371263	/nfs/dbraw/zinc/37/12/63/211371263.db2.gz	BANDDUBNUZKRES-UHFFFAOYSA-N	-1	3	368.322	1.036	40	0		FDABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(N)=O	ZINC000020009291	211263664	/nfs/dbraw/zinc/26/36/64/211263664.db2.gz	CLGIJDNJMAXXAA-ZDUSSCGKSA-N	-1	3	368.842	1.724	40	0		FDABHM
CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)[n-]c2=O)C1	ZINC000019462936	211224245	/nfs/dbraw/zinc/22/42/45/211224245.db2.gz	NEMHGDKGTPQETL-BBRMVZONSA-N	-1	3	358.486	1.898	40	0		FDABHM
C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NCCN2CCCC2=O)n1	ZINC000019457495	211222702	/nfs/dbraw/zinc/22/27/02/211222702.db2.gz	PJRVVPIXJZXKGN-LLVKDONJSA-N	-1	3	364.837	1.458	40	0		FDABHM
O=C(c1cn[nH]n1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344386	211215720	/nfs/dbraw/zinc/21/57/20/211215720.db2.gz	RHSJWKJLFLYKEB-SNVBAGLBSA-N	-1	3	356.411	1.636	40	0		FDABHM
O=C(C1CC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1	ZINC000019015097	211199703	/nfs/dbraw/zinc/19/97/03/211199703.db2.gz	BQVWNDVVXSIQHC-ZDUSSCGKSA-N	-1	3	356.426	1.203	40	0		FDABHM
CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100777685	222252942	/nfs/dbraw/zinc/25/29/42/222252942.db2.gz	TUWPUOCSWFVTOY-BARDWOONSA-N	-1	3	355.479	1.118	40	0		FDABHM
O=C([C@@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1	ZINC000019406367	263373919	/nfs/dbraw/zinc/37/39/19/263373919.db2.gz	PAXPJAGSGSLUKE-ZDUSSCGKSA-N	-1	3	360.439	1.778	40	0		FDABHM
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(C)s2)no1	ZINC000006668734	518380849	/nfs/dbraw/zinc/38/08/49/518380849.db2.gz	IVQHONNNOIDACA-UHFFFAOYSA-N	-1	3	371.440	1.626	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3noc4c3CCCC4)C[C@H]21	ZINC000012120142	518588234	/nfs/dbraw/zinc/58/82/34/518588234.db2.gz	CBFQLJDWZOYGGH-RISCZKNCSA-N	-1	3	354.410	1.747	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3ccc4c(c3)OCCO4)C[C@H]21	ZINC000012120007	518588386	/nfs/dbraw/zinc/58/83/86/518588386.db2.gz	SKLHAQVZOIBIQR-HIFRSBDPSA-N	-1	3	367.405	1.652	40	0		FDABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)Nc1ccccc1F	ZINC000012144572	518591023	/nfs/dbraw/zinc/59/10/23/518591023.db2.gz	IGDHJAQYKWONTL-UHFFFAOYSA-N	-1	3	371.416	1.506	40	0		FDABHM
CCc1nnc([N-]c2cc(C)nc([C@H]3CCN(C(=O)CNC)C3)n2)s1	ZINC000072383035	522230727	/nfs/dbraw/zinc/23/07/27/522230727.db2.gz	FMGQTEHNEQGNLI-NSHDSACASA-N	-1	3	361.475	1.478	40	0		FDABHM
CCCn1ccnc1CN1CCC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257299143	528867893	/nfs/dbraw/zinc/86/78/93/528867893.db2.gz	ROXBDKXQNYQRTO-CYBMUJFWSA-N	-1	3	351.476	1.799	40	0		FDABHM
CCCn1ccnc1CN1CCC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257299143	528867899	/nfs/dbraw/zinc/86/78/99/528867899.db2.gz	ROXBDKXQNYQRTO-CYBMUJFWSA-N	-1	3	351.476	1.799	40	0		FDABHM
CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000222885418	537514869	/nfs/dbraw/zinc/51/48/69/537514869.db2.gz	GHUPMCOZEAHHIU-UHFFFAOYSA-N	-1	3	356.429	1.374	40	0		FDABHM
COc1ccc(N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000223021109	537517550	/nfs/dbraw/zinc/51/75/50/537517550.db2.gz	TWUAHSKIPRVSBJ-UHFFFAOYSA-N	-1	3	370.452	1.892	40	0		FDABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1	ZINC000223305158	537522228	/nfs/dbraw/zinc/52/22/28/537522228.db2.gz	CYXYWELJQZWKQK-UHFFFAOYSA-N	-1	3	364.423	1.963	40	0		FDABHM
Cc1cc(Cl)ccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222667178	568551628	/nfs/dbraw/zinc/55/16/28/568551628.db2.gz	ICAQLWZCCUKSBR-UHFFFAOYSA-N	-1	3	363.801	1.782	40	0		FDABHM
COC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000408592307	570573157	/nfs/dbraw/zinc/57/31/57/570573157.db2.gz	LACFTFGEZZQLLS-IUCAKERBSA-N	-1	3	369.270	1.811	40	0		FDABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NC[C@H]1CCCO1	ZINC000409171875	570735060	/nfs/dbraw/zinc/73/50/60/570735060.db2.gz	CHZJMZUEPDRIPV-SNVBAGLBSA-N	-1	3	367.254	1.567	40	0		FDABHM
C[C@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)[N-]C1=O	ZINC000019460264	211223914	/nfs/dbraw/zinc/22/39/14/211223914.db2.gz	QCZSJHKFADFZFD-GOSISDBHSA-N	-1	3	363.389	1.574	40	0		FDABHM
CS(=O)(=O)N1C[C@@H]2CN(Cc3cccs3)CCC[C@]2(C(=O)[O-])C1	ZINC000096185195	222071132	/nfs/dbraw/zinc/07/11/32/222071132.db2.gz	GFARDPAAIJTWTL-WFASDCNBSA-N	-1	3	358.485	1.306	40	0		FDABHM
COc1ccccc1CN1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1	ZINC000019570698	518819028	/nfs/dbraw/zinc/81/90/28/518819028.db2.gz	HJMRJJARJGUNMC-UHFFFAOYSA-N	-1	3	370.453	1.216	40	0		FDABHM
O=C(NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2)c1ccccn1	ZINC000257287264	534416768	/nfs/dbraw/zinc/41/67/68/534416768.db2.gz	PPEQVBXLXKWSKI-ZMZPIMSZSA-N	-1	3	356.382	1.892	40	0		FDABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1	ZINC000225964071	537563254	/nfs/dbraw/zinc/56/32/54/537563254.db2.gz	WONPYTIOUCIBIP-UHFFFAOYSA-N	-1	3	361.423	1.728	40	0		FDABHM
Cc1ccc(C)c(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c1	ZINC000222660523	568550891	/nfs/dbraw/zinc/55/08/91/568550891.db2.gz	AXLRHIFIITWQHL-UHFFFAOYSA-N	-1	3	357.410	1.827	40	0		FDABHM
Cc1cnn(CC(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1	ZINC000019239892	220242623	/nfs/dbraw/zinc/24/26/23/220242623.db2.gz	VALVSZQVODDBEA-OAHLLOKOSA-N	-1	3	364.409	1.353	40	0		FDABHM
Cc1nonc1CC(=O)N1CCC[C@@H]1c1nc(-c2cccnc2)cc(=O)[n-]1	ZINC000019558992	220270543	/nfs/dbraw/zinc/27/05/43/220270543.db2.gz	KDBOKQOQCGIDQG-OAHLLOKOSA-N	-1	3	366.381	1.430	40	0		FDABHM
Cc1cc(C)cc(C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)c1	ZINC000019569503	220274298	/nfs/dbraw/zinc/27/42/98/220274298.db2.gz	GIOQIOAJQZOEAH-OAHLLOKOSA-N	-1	3	366.425	1.745	40	0		FDABHM
Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1	ZINC000019961174	220308995	/nfs/dbraw/zinc/30/89/95/220308995.db2.gz	MVTKGHRQVWTHTK-CYBMUJFWSA-N	-1	3	367.409	1.743	40	0		FDABHM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000257327566	533467906	/nfs/dbraw/zinc/46/79/06/533467906.db2.gz	XBVSOFTYNUSUEA-GFCCVEGCSA-N	-1	3	353.419	1.821	40	0		FDABHM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000257327566	533467910	/nfs/dbraw/zinc/46/79/10/533467910.db2.gz	XBVSOFTYNUSUEA-GFCCVEGCSA-N	-1	3	353.419	1.821	40	0		FDABHM
Cc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)o1	ZINC000072335564	136144487	/nfs/dbraw/zinc/14/44/87/136144487.db2.gz	HBYWIKIMXTYUFC-OKILXGFUSA-N	-1	3	358.442	1.843	40	0		FDABHM
CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H](C(=O)Nc3ccccc3[O-])[C@@H]2O1	ZINC000004560589	518305505	/nfs/dbraw/zinc/30/55/05/518305505.db2.gz	QYHDAPSRVVKNBC-PAURTPPISA-N	-1	3	365.382	1.727	40	0		FDABHM
COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000223340003	537524875	/nfs/dbraw/zinc/52/48/75/537524875.db2.gz	WOLSGCFPPPMTLC-UHFFFAOYSA-N	-1	3	370.456	1.620	40	0		FDABHM
Cc1nn(C)cc1CN1CCc2c(=O)[n-]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1	ZINC000257203281	571202564	/nfs/dbraw/zinc/20/25/64/571202564.db2.gz	APIHQADWSBXXQP-STQMWFEESA-N	-1	3	372.473	1.396	40	0		FDABHM
Nc1nccnc1C[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1	ZINC000257332683	223069668	/nfs/dbraw/zinc/06/96/68/223069668.db2.gz	XYGFRIRYQXKNOU-HNNXBMFYSA-N	-1	3	356.426	1.977	40	0		FDABHM
COCCOc1ccc(CN2CCc3nc(C)[n-]c(=O)c3CC2)cc1OC	ZINC000019286431	220247320	/nfs/dbraw/zinc/24/73/20/220247320.db2.gz	VMDQDVYWEPLKTH-UHFFFAOYSA-N	-1	3	373.453	1.713	40	0		FDABHM
CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019448311	220258190	/nfs/dbraw/zinc/25/81/90/220258190.db2.gz	LMQDHWAVMPLVNN-QGZVFWFLSA-N	-1	3	367.453	1.909	40	0		FDABHM
CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(F)cc1F	ZINC000071980229	221393308	/nfs/dbraw/zinc/39/33/08/221393308.db2.gz	VUNHAENOMXHANS-CQSZACIVSA-N	-1	3	354.353	1.702	40	0		FDABHM
O=C(c1ccc(F)c(F)c1)N1CCN(c2nc3c(c(=O)[n-]2)CCCC3)CC1	ZINC000012113672	132852591	/nfs/dbraw/zinc/85/25/91/132852591.db2.gz	OZRQEPDXJVHDIZ-UHFFFAOYSA-N	-1	3	374.391	1.889	40	0		FDABHM
O=C([O-])[C@@H]1C[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1	ZINC000107214483	222392920	/nfs/dbraw/zinc/39/29/20/222392920.db2.gz	JTEBZJMUURZZJR-ZFWWWQNUSA-N	-1	3	356.419	1.528	40	0		FDABHM
COc1ccc(OC)c(NC(=O)C[C@H](NCc2cccnc2)C(=O)[O-])c1	ZINC000004123480	518287455	/nfs/dbraw/zinc/28/74/55/518287455.db2.gz	GFZSSEIZWOGYSW-HNNXBMFYSA-N	-1	3	359.382	1.670	40	0		FDABHM
COC(=O)Cn1cc(CN2CCc3nc(C)[n-]c(=O)c3C2)c2ccccc21	ZINC000012145334	518593350	/nfs/dbraw/zinc/59/33/50/518593350.db2.gz	KJFFRWYJNZZREB-UHFFFAOYSA-N	-1	3	366.421	1.764	40	0		FDABHM
Cc1cc(=O)[n-]c(NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1	ZINC000012222947	518597722	/nfs/dbraw/zinc/59/77/22/518597722.db2.gz	IPBYYXBMQAWQOW-UHFFFAOYSA-N	-1	3	355.442	1.861	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O	ZINC000028284030	519230950	/nfs/dbraw/zinc/23/09/50/519230950.db2.gz	RWESBPSAZFIAQO-MNOVXSKESA-N	-1	3	373.456	1.576	40	0		FDABHM
COc1cc(C(=O)[N-]c2nc(S(C)(=O)=O)ns2)cc(OC)c1OC	ZINC000036626349	519624701	/nfs/dbraw/zinc/62/47/01/519624701.db2.gz	XEFOOZUIQACJKY-UHFFFAOYSA-N	-1	3	373.412	1.220	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H]21	ZINC000072336081	522218983	/nfs/dbraw/zinc/21/89/83/522218983.db2.gz	AIGPHKLKBWOOFW-RISCZKNCSA-N	-1	3	353.426	1.482	40	0		FDABHM
CN(C)S(=O)(=O)N1CCCC[C@H]1c1ccnc([N-]c2cnccn2)n1	ZINC000072377833	522227525	/nfs/dbraw/zinc/22/75/25/522227525.db2.gz	RUPLMDYHMIMAJB-ZDUSSCGKSA-N	-1	3	363.447	1.344	40	0		FDABHM
CC(C)(C)OC(=O)NCC1(N[C@@H](Cc2ccccc2)C(=O)[O-])COC1	ZINC000306145639	526448204	/nfs/dbraw/zinc/44/82/04/526448204.db2.gz	LKKDBUCACVLRLD-AWEZNQCLSA-N	-1	3	350.415	1.566	40	0		FDABHM
COc1ccc(NC(=O)[C@@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cn1	ZINC000225958862	537564052	/nfs/dbraw/zinc/56/40/52/537564052.db2.gz	NMDGENPZWGQIDX-INIZCTEOSA-N	-1	3	367.402	1.632	40	0		FDABHM
O=C(c1ccc([O-])cc1)N1CCC2(CO[C@H](CN3CCOCC3)C2)CC1	ZINC000585104177	551572092	/nfs/dbraw/zinc/57/20/92/551572092.db2.gz	MERVZSYVRZDNOH-SFHVURJKSA-N	-1	3	360.454	1.736	40	0		FDABHM
CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(C(=O)[O-])c3)C2)C1	ZINC000514289205	560033229	/nfs/dbraw/zinc/03/32/29/560033229.db2.gz	JJSPPOIOGKAUDQ-RTBURBONSA-N	-1	3	373.497	1.346	40	0	biogenic,in-vitro	FDABHM
Cn1c2nc(Sc3nnc(-c4ccccc4)o3)[n-]c2c(=O)n(C)c1=O	ZINC000016363731	220184004	/nfs/dbraw/zinc/18/40/04/220184004.db2.gz	ODYXMNDWCDAYAQ-UHFFFAOYSA-N	-1	3	356.367	1.162	40	0		FDABHM
Cn1c2nc(Sc3nnc(-c4ccccc4)o3)nc-2c([O-])n(C)c1=O	ZINC000016363731	220184005	/nfs/dbraw/zinc/18/40/05/220184005.db2.gz	ODYXMNDWCDAYAQ-UHFFFAOYSA-N	-1	3	356.367	1.162	40	0		FDABHM
Cn1c2[n-]c(Sc3nnc(-c4ccccc4)o3)nc2c(=O)n(C)c1=O	ZINC000016363731	220184009	/nfs/dbraw/zinc/18/40/09/220184009.db2.gz	ODYXMNDWCDAYAQ-UHFFFAOYSA-N	-1	3	356.367	1.162	40	0		FDABHM
Cc1cnc(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cn1	ZINC000019238821	220243262	/nfs/dbraw/zinc/24/32/62/220243262.db2.gz	REJAWSKWJIVTJE-CQSZACIVSA-N	-1	3	362.393	1.560	40	0		FDABHM
COc1ccc(C)cc1CC(=O)N1CCOC[C@H]1c1cc(=O)[n-]c(C)n1	ZINC000257277518	533379191	/nfs/dbraw/zinc/37/91/91/533379191.db2.gz	NYGYBSQGQMTLNQ-INIZCTEOSA-N	-1	3	357.410	1.950	40	0		FDABHM
COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C23)cc1	ZINC000100355450	222241912	/nfs/dbraw/zinc/24/19/12/222241912.db2.gz	VBGOURWEMQKEQW-PBHICJAKSA-N	-1	3	368.320	1.961	40	0		FDABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100771201	222253321	/nfs/dbraw/zinc/25/33/21/222253321.db2.gz	ZVDLSJPOZVWMBQ-OWYFMNJBSA-N	-1	3	369.506	1.508	40	0		FDABHM
COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)[O-])Cn2ccnc23)cc1	ZINC000105983092	222380493	/nfs/dbraw/zinc/38/04/93/222380493.db2.gz	LUQAMCAAEPFYDV-MRXNPFEDSA-N	-1	3	357.410	1.866	40	0		FDABHM
Cc1nc(N2CCN(CCO)CC2)[n-]c(=O)c1Cc1ccc(C(C)C)cc1	ZINC000022288979	263385887	/nfs/dbraw/zinc/38/58/87/263385887.db2.gz	YTDMIBXJQSKNQW-UHFFFAOYSA-N	-1	3	370.497	1.907	40	0		FDABHM
[NH3+][C@H](CC(=O)[N-]C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000005685281	518351032	/nfs/dbraw/zinc/35/10/32/518351032.db2.gz	TYQCYIMUPKUWIN-MRXNPFEDSA-N	-1	3	354.362	1.854	40	0		FDABHM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccc2c(c1)OCO2	ZINC000006439045	518372945	/nfs/dbraw/zinc/37/29/45/518372945.db2.gz	PWMJZNWXMPEUBS-CYBMUJFWSA-N	-1	3	371.349	1.186	40	0		FDABHM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C	ZINC000007361843	518417132	/nfs/dbraw/zinc/41/71/32/518417132.db2.gz	JGZVOJHDYLMNBC-UHFFFAOYSA-N	-1	3	364.423	1.929	40	0		FDABHM
COc1ccc(C(=O)N2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc1OC	ZINC000012120010	518588402	/nfs/dbraw/zinc/58/84/02/518588402.db2.gz	FGEMUWQNSDEVGU-HIFRSBDPSA-N	-1	3	369.421	1.898	40	0		FDABHM
Cc1ccnn1CCC(=O)N[C@H]1CCCN(c2nc(C)c(C)c(=O)[n-]2)C1	ZINC000012188596	518595064	/nfs/dbraw/zinc/59/50/64/518595064.db2.gz	HXXOROUPOUYLCI-HNNXBMFYSA-N	-1	3	358.446	1.067	40	0		FDABHM
Cc1nc2c(nnn2C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(=O)[n-]1	ZINC000012336934	518606462	/nfs/dbraw/zinc/60/64/62/518606462.db2.gz	VXFZPVUXHWUIAI-UHFFFAOYSA-N	-1	3	374.351	1.991	40	0		FDABHM
C[C@@H](c1cc(=O)[n-]c(N2CCN(C)CC2)n1)n1ncc2ccccc2c1=O	ZINC000019717495	518830477	/nfs/dbraw/zinc/83/04/77/518830477.db2.gz	ICMGGKIHBRHMJW-ZDUSSCGKSA-N	-1	3	366.425	1.253	40	0		FDABHM
Cc1nc([C@H]2COCCN2Cc2ccnc(N3CCCC3)n2)cc(=O)[n-]1	ZINC000257243592	534502152	/nfs/dbraw/zinc/50/21/52/534502152.db2.gz	IHRHGMJCTBSKLE-MRXNPFEDSA-N	-1	3	356.430	1.454	40	0		FDABHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCO)cc1	ZINC000107977236	525930868	/nfs/dbraw/zinc/93/08/68/525930868.db2.gz	LHHULEJMIFSHCX-UHFFFAOYSA-N	-1	3	364.423	1.283	40	0		FDABHM
O=C(c1cccc([O-])c1)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1	ZINC000575404969	550460394	/nfs/dbraw/zinc/46/03/94/550460394.db2.gz	PUYGDAISWDWXDF-INIZCTEOSA-N	-1	3	356.382	1.340	40	0		FDABHM
COc1cccc(Cn2cc(I)c(=O)[n-]c2=O)c1	ZINC000001350607	219397747	/nfs/dbraw/zinc/39/77/47/219397747.db2.gz	FZDNXYMHOGBPJG-UHFFFAOYSA-N	-1	3	358.135	1.198	40	0		FDABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)cc1	ZINC000006235011	219721235	/nfs/dbraw/zinc/72/12/35/219721235.db2.gz	OXFBBXYTHYZJRS-UHFFFAOYSA-N	-1	3	364.423	1.283	40	0		FDABHM
O=c1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc[n-]1	ZINC000257304375	223059366	/nfs/dbraw/zinc/05/93/66/223059366.db2.gz	SLISKHBWUMKXKZ-INIZCTEOSA-N	-1	3	357.410	1.787	40	0		FDABHM
Cc1n[nH]c(C)c1CCc1cc(=O)[n-]c(N(C)CCc2ccccn2)n1	ZINC000019578981	220276617	/nfs/dbraw/zinc/27/66/17/220276617.db2.gz	FLDFMPSVWKTPDU-UHFFFAOYSA-N	-1	3	352.442	1.969	40	0		FDABHM
CNc1nccnc1C[C@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)C1	ZINC000257321264	533089042	/nfs/dbraw/zinc/08/90/42/533089042.db2.gz	WAWVZYAPWMIRKI-GFCCVEGCSA-N	-1	3	351.414	1.885	40	0		FDABHM
O=C(Cc1ccccc1F)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000012181450	518595208	/nfs/dbraw/zinc/59/52/08/518595208.db2.gz	HWNHXSHNQWVKPR-UHFFFAOYSA-N	-1	3	356.401	1.637	40	0		FDABHM
Cc1nc(N2CCN(CCO)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1	ZINC000024252103	518984358	/nfs/dbraw/zinc/98/43/58/518984358.db2.gz	CWKXUAAUVSHKGI-UHFFFAOYSA-N	-1	3	362.861	1.437	40	0		FDABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCO	ZINC000033871290	519591371	/nfs/dbraw/zinc/59/13/71/519591371.db2.gz	YCQKUZFELZQRIU-MRVPVSSYSA-N	-1	3	355.243	1.159	40	0		FDABHM
O=C(COC[C@@H]1CCOC12CN(C(=O)c1cccc([O-])c1)C2)N1CCCC1	ZINC000306129002	534618398	/nfs/dbraw/zinc/61/83/98/534618398.db2.gz	HRBNNRBAUBMXME-INIZCTEOSA-N	-1	3	374.437	1.262	40	0		FDABHM
Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12	ZINC000575405404	550460738	/nfs/dbraw/zinc/46/07/38/550460738.db2.gz	SNGHVQMQVSANPJ-QGPMSJSTSA-N	-1	3	369.421	1.248	40	0		FDABHM
Cc1cccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c1C	ZINC000222659691	568550761	/nfs/dbraw/zinc/55/07/61/568550761.db2.gz	UTCQNMFOEHBHTL-UHFFFAOYSA-N	-1	3	357.410	1.827	40	0		FDABHM
COCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000409387979	570756715	/nfs/dbraw/zinc/75/67/15/570756715.db2.gz	BSBYABAYHVYIAB-SECBINFHSA-N	-1	3	369.270	1.813	40	0		FDABHM
Cc1c(CN2CCC[C@@H](Cc3[n-]ncc3S(C)(=O)=O)C2)cnn1C	ZINC000257321217	223064835	/nfs/dbraw/zinc/06/48/35/223064835.db2.gz	WAPTZUKYDKFSFC-ZDUSSCGKSA-N	-1	3	351.476	1.310	40	0		FDABHM
Cc1c(CN2CCC[C@@H](Cc3n[n-]cc3S(C)(=O)=O)C2)cnn1C	ZINC000257321217	223064837	/nfs/dbraw/zinc/06/48/37/223064837.db2.gz	WAPTZUKYDKFSFC-ZDUSSCGKSA-N	-1	3	351.476	1.310	40	0		FDABHM
CN1CCc2c(nc(C3CCN(C(=O)c4ccncc4)CC3)[n-]c2=O)C1	ZINC000019590751	220278139	/nfs/dbraw/zinc/27/81/39/220278139.db2.gz	WWEBMRGVZUPSGL-UHFFFAOYSA-N	-1	3	353.426	1.585	40	0		FDABHM
CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccc3n[n-]nc3c2)n1	ZINC000257263731	533046710	/nfs/dbraw/zinc/04/67/10/533046710.db2.gz	LREJDTOLYUGFNF-CQSZACIVSA-N	-1	3	353.386	1.312	40	0		FDABHM
Cc1cccc(C)c1N1C(=O)C[C@@H](SC(C)(C)[C@@H](N)C(=O)[O-])C1=O	ZINC000019866775	220304454	/nfs/dbraw/zinc/30/44/54/220304454.db2.gz	PGNBRVSLALBTIU-RISCZKNCSA-N	-1	3	350.440	1.859	40	0		FDABHM
CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2cccn2C)[C@H](C(=O)[O-])C1	ZINC000096198756	222073018	/nfs/dbraw/zinc/07/30/18/222073018.db2.gz	YCWCCJBFWWJMDM-WBVHZDCISA-N	-1	3	356.426	1.610	40	0		FDABHM
Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@@H](c2cc(=O)[n-]c(N(C)C)n2)C1	ZINC000012406497	518611888	/nfs/dbraw/zinc/61/18/88/518611888.db2.gz	LHXXEKWMZVPCQQ-CYBMUJFWSA-N	-1	3	371.441	1.193	40	0		FDABHM
Cc1cccc(N2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)c1C	ZINC000019937525	518841295	/nfs/dbraw/zinc/84/12/95/518841295.db2.gz	NSYKJUYVGRRCJA-UHFFFAOYSA-N	-1	3	354.454	1.895	40	0		FDABHM
O=C([O-])[C@@]12CN(c3nncs3)C[C@@H]1CN(Cc1cccnc1)CCC2	ZINC000096038588	525124581	/nfs/dbraw/zinc/12/45/81/525124581.db2.gz	NHBUDTGXKPCKQB-YOEHRIQHSA-N	-1	3	359.455	1.736	40	0		FDABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1	ZINC000107702755	525913259	/nfs/dbraw/zinc/91/32/59/525913259.db2.gz	DBQDKTJCTJIUHI-UHFFFAOYSA-N	-1	3	350.396	1.750	40	0		FDABHM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000192889061	537235254	/nfs/dbraw/zinc/23/52/54/537235254.db2.gz	LIISXONABUSDHD-UHFFFAOYSA-N	-1	3	351.428	1.010	40	0		FDABHM
COCCNC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1cccc([O-])c1)CC2	ZINC000585096245	551569516	/nfs/dbraw/zinc/56/95/16/551569516.db2.gz	CSSQUOQVMVOBCL-LBPRGKRZSA-N	-1	3	358.398	1.182	40	0		FDABHM
CCn1cc(CN2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)c(C)n1	ZINC000257307872	223061113	/nfs/dbraw/zinc/06/11/13/223061113.db2.gz	TULKJADYCCVBMO-ZDUSSCGKSA-N	-1	3	351.476	1.718	40	0		FDABHM
CCn1cc(CN2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)c(C)n1	ZINC000257307872	223061116	/nfs/dbraw/zinc/06/11/16/223061116.db2.gz	TULKJADYCCVBMO-ZDUSSCGKSA-N	-1	3	351.476	1.718	40	0		FDABHM
COCCNc1nc([C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc(=O)[n-]1	ZINC000019235578	220243722	/nfs/dbraw/zinc/24/37/22/220243722.db2.gz	QTAYIFNQSCUGTK-AWEZNQCLSA-N	-1	3	356.426	1.966	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)CCC2CCCC2)c(=O)[n-]1	ZINC000019286490	220245885	/nfs/dbraw/zinc/24/58/85/220245885.db2.gz	ZPYBMOCZOWSUML-CQSZACIVSA-N	-1	3	358.446	1.784	40	0		FDABHM
CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)[n-]c2=O)C1	ZINC000019448458	220257003	/nfs/dbraw/zinc/25/70/03/220257003.db2.gz	RLARQZYAMRABTO-KRWDZBQOSA-N	-1	3	374.485	1.421	40	0		FDABHM
Cc1nc2c(nnn2C2CCN(C(=O)Cc3cccc(F)c3)CC2)c(=O)[n-]1	ZINC000072335976	221470291	/nfs/dbraw/zinc/47/02/91/221470291.db2.gz	LSUIAOQFYBAPGW-UHFFFAOYSA-N	-1	3	370.388	1.781	40	0		FDABHM
C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000100779218	222252861	/nfs/dbraw/zinc/25/28/61/222252861.db2.gz	XAAARDMGPYXDRR-LUYZLQTOSA-N	-1	3	361.442	1.198	40	0		FDABHM
COC(=O)[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000006002236	518360918	/nfs/dbraw/zinc/36/09/18/518360918.db2.gz	QSLZIGAHAQCYFC-RHOROAJPSA-N	-1	3	352.431	1.053	40	0		FDABHM
NC(=O)C1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)CC1	ZINC000019937669	526856380	/nfs/dbraw/zinc/85/63/80/526856380.db2.gz	JWMOPWZTXJEPHT-UHFFFAOYSA-N	-1	3	374.828	1.357	40	0		FDABHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000217361061	537454176	/nfs/dbraw/zinc/45/41/76/537454176.db2.gz	KSOHFXPAXCOLAG-GFCCVEGCSA-N	-1	3	362.429	1.184	40	0		FDABHM
CC(=O)N[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)[C@H]1Cc1ccccc1	ZINC000585275703	551577015	/nfs/dbraw/zinc/57/70/15/551577015.db2.gz	DPQXEDWJWKJFGE-IRXDYDNUSA-N	-1	3	354.410	1.534	40	0		FDABHM
Cc1nc(N=c2[n-]ncs2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1	ZINC000585291264	551580523	/nfs/dbraw/zinc/58/05/23/551580523.db2.gz	ALHNVQRQQXLXAE-MUBLQREKSA-N	-1	3	373.486	1.814	40	0		FDABHM
COC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000408592301	570573097	/nfs/dbraw/zinc/57/30/97/570573097.db2.gz	LACFTFGEZZQLLS-BDAKNGLRSA-N	-1	3	369.270	1.811	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2cccc(Br)c2)c(=O)[nH]c1C(=O)[O-]	ZINC000222665190	222745286	/nfs/dbraw/zinc/74/52/86/222745286.db2.gz	BAYWKLDOVVTCMV-UHFFFAOYSA-N	-1	3	368.187	1.048	40	0		FDABHM
Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnc2c1nc(C)[n-]c2=O	ZINC000019236784	220243918	/nfs/dbraw/zinc/24/39/18/220243918.db2.gz	QZUWZISPATWLTE-CYBMUJFWSA-N	-1	3	352.398	1.436	40	0		FDABHM
CC(C)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019448303	220258310	/nfs/dbraw/zinc/25/83/10/220258310.db2.gz	QGPHAAMGFHQRSF-QGZVFWFLSA-N	-1	3	367.453	1.909	40	0		FDABHM
COCc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)o1	ZINC000019594502	220279239	/nfs/dbraw/zinc/27/92/39/220279239.db2.gz	MUXIRITXUZVZPM-UHFFFAOYSA-N	-1	3	367.409	1.567	40	0		FDABHM
COc1ccc(CC(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)cc1	ZINC000257200636	533440474	/nfs/dbraw/zinc/44/04/74/533440474.db2.gz	AEEIYISLTIKREO-KRWDZBQOSA-N	-1	3	357.410	1.594	40	0		FDABHM
CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100774442	222253337	/nfs/dbraw/zinc/25/33/37/222253337.db2.gz	TUWPUOCSWFVTOY-XGUBFFRZSA-N	-1	3	355.479	1.118	40	0		FDABHM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=N)NC(=N)N)c1	ZINC000004530530	518302519	/nfs/dbraw/zinc/30/25/19/518302519.db2.gz	YHICNMWGNPHCKA-UHFFFAOYSA-N	-1	3	362.415	1.326	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3cc(C(C)(C)C)nn3C)C[C@H]21	ZINC000012120098	518588565	/nfs/dbraw/zinc/58/85/65/518588565.db2.gz	XLVQCAYGGWHOLH-OCCSQVGLSA-N	-1	3	369.469	1.911	40	0		FDABHM
CCOC(=O)Cc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[n-]c1=O	ZINC000013639815	518664562	/nfs/dbraw/zinc/66/45/62/518664562.db2.gz	HEJRPJQNPJGFIN-UHFFFAOYSA-N	-1	3	370.453	1.506	40	0		FDABHM
CC[C@@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)[C@@H](C)CC)[C@@H](C)CC)C(=O)[O-]	ZINC000039945326	519637581	/nfs/dbraw/zinc/63/75/81/519637581.db2.gz	BBQABUDWDUKJMB-TVDPOAAXSA-N	-1	3	357.495	1.506	40	0		FDABHM
Cc1cc(C)nc([N-]c2nccnc2[C@@H]2CCCN(C(CO)CO)C2)n1	ZINC000072363676	522225417	/nfs/dbraw/zinc/22/54/17/522225417.db2.gz	CGYJAMNCULZUCE-CQSZACIVSA-N	-1	3	358.446	1.160	40	0		FDABHM
CC(C)c1ncc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)cn1	ZINC000257343962	528340706	/nfs/dbraw/zinc/34/07/06/528340706.db2.gz	ZVCVOSJAAMUWQV-OAHLLOKOSA-N	-1	3	357.414	1.569	40	0		FDABHM
Cc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000225436411	537548774	/nfs/dbraw/zinc/54/87/74/537548774.db2.gz	NITLIARZEJIGAP-UHFFFAOYSA-N	-1	3	354.457	1.920	40	0		FDABHM
COc1ccc(NC(=O)[C@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cn1	ZINC000225958886	537563497	/nfs/dbraw/zinc/56/34/97/537563497.db2.gz	NMDGENPZWGQIDX-MRXNPFEDSA-N	-1	3	367.402	1.632	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC(c2nccnc2[N-]c2ncccn2)CC1	ZINC000585292696	551580517	/nfs/dbraw/zinc/58/05/17/551580517.db2.gz	QZWDOJWTOLBAFE-HWKANZROSA-N	-1	3	367.457	1.834	40	0		FDABHM
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O)c(N)c2)c1	ZINC000255188300	571321040	/nfs/dbraw/zinc/32/10/40/571321040.db2.gz	JIYNCIUFSSUHKX-UHFFFAOYSA-N	-1	3	357.413	1.147	40	0		FDABHM
CC(C)c1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCC3)c2=O)cc1	ZINC000222662699	222744725	/nfs/dbraw/zinc/74/47/25/222744725.db2.gz	DCXVOGTXDULUBV-UHFFFAOYSA-N	-1	3	357.410	1.943	40	0		FDABHM
Cc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1	ZINC000019135460	220237742	/nfs/dbraw/zinc/23/77/42/220237742.db2.gz	LGYZEABTECMODB-CQSZACIVSA-N	-1	3	352.398	1.849	40	0		FDABHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000019334847	220251382	/nfs/dbraw/zinc/25/13/82/220251382.db2.gz	FDOHSGLPEYZOBQ-UHFFFAOYSA-N	-1	3	360.370	1.431	40	0		FDABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](C)n2nc(C)c(C)c2C)s1	ZINC000019556365	220271817	/nfs/dbraw/zinc/27/18/17/220271817.db2.gz	PKTIRTZHZJUIJX-MRVPVSSYSA-N	-1	3	371.488	1.763	40	0		FDABHM
Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1	ZINC000019961178	220309311	/nfs/dbraw/zinc/30/93/11/220309311.db2.gz	MVTKGHRQVWTHTK-ZDUSSCGKSA-N	-1	3	367.409	1.743	40	0		FDABHM
CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1F	ZINC000071980102	221392923	/nfs/dbraw/zinc/39/29/23/221392923.db2.gz	WYKCOZFDXNSPDE-CYBMUJFWSA-N	-1	3	356.781	1.827	40	0		FDABHM
CCOc1ccccc1C(=O)N1[C@@H](C(=O)[O-])COC12CCN(CC)CC2	ZINC000071980249	221393180	/nfs/dbraw/zinc/39/31/80/221393180.db2.gz	JPQPPPAXQWYVQC-OAHLLOKOSA-N	-1	3	362.426	1.823	40	0		FDABHM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000257327567	533468268	/nfs/dbraw/zinc/46/82/68/533468268.db2.gz	XBVSOFTYNUSUEA-LBPRGKRZSA-N	-1	3	353.419	1.821	40	0		FDABHM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000257327567	533468271	/nfs/dbraw/zinc/46/82/71/533468271.db2.gz	XBVSOFTYNUSUEA-LBPRGKRZSA-N	-1	3	353.419	1.821	40	0		FDABHM
O=C(CSc1nc2[nH]c(=O)[n-]c(=O)c2s1)Nc1cccc(F)c1	ZINC000004987584	518323133	/nfs/dbraw/zinc/32/31/33/518323133.db2.gz	XXNBRURHPAXVEM-UHFFFAOYSA-N	-1	3	352.372	1.955	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2	ZINC000012155802	518593299	/nfs/dbraw/zinc/59/32/99/518593299.db2.gz	VXZMFBNIKNUAKN-OAHLLOKOSA-N	-1	3	366.421	1.012	40	0		FDABHM
Cc1nn(C)cc1CN1CCc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c2C1	ZINC000012185142	518595347	/nfs/dbraw/zinc/59/53/47/518595347.db2.gz	GOLCZHZEPPPWBN-CYBMUJFWSA-N	-1	3	356.474	1.606	40	0		FDABHM
C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1	ZINC000023743391	518964659	/nfs/dbraw/zinc/96/46/59/518964659.db2.gz	GTHBHBXEQKIWDK-LLVKDONJSA-N	-1	3	358.268	1.849	40	0		FDABHM
CCN1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)CC1	ZINC000019937693	521664038	/nfs/dbraw/zinc/66/40/38/521664038.db2.gz	CLAODEWFXBKQBT-UHFFFAOYSA-N	-1	3	360.845	1.797	40	0		FDABHM
Cn1c(CN2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)nc2ccccc21	ZINC000257337220	534689052	/nfs/dbraw/zinc/68/90/52/534689052.db2.gz	YRXTXLXPCPMQAY-HNNXBMFYSA-N	-1	3	353.426	1.903	40	0		FDABHM
O=C(c1n[nH]c2ccccc21)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257279722	526914325	/nfs/dbraw/zinc/91/43/25/526914325.db2.gz	OHXDHYLPYAABBX-LBPRGKRZSA-N	-1	3	353.382	1.390	40	0		FDABHM
O=C([O-])[C@@H](Cc1c[nH]cn1)NCc1cnc(NCc2ccccc2)nc1	ZINC000218761026	537467566	/nfs/dbraw/zinc/46/75/66/537467566.db2.gz	SJQURSZAILLOTF-MRXNPFEDSA-N	-1	3	352.398	1.597	40	0		FDABHM
COc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)cn1	ZINC000225930384	537563641	/nfs/dbraw/zinc/56/36/41/537563641.db2.gz	ZKEPIGHVPYZCIG-UHFFFAOYSA-N	-1	3	353.425	1.601	40	0		FDABHM
O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575402595	550460149	/nfs/dbraw/zinc/46/01/49/550460149.db2.gz	CHUXXKRUEJGZIF-KRWDZBQOSA-N	-1	3	354.410	1.845	40	0		FDABHM
O=C(CC1CC1)NC[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1	ZINC000575403217	550460168	/nfs/dbraw/zinc/46/01/68/550460168.db2.gz	GPPAKTCYBXQTSY-OAHLLOKOSA-N	-1	3	358.438	1.930	40	0		FDABHM
COCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000409390921	570755944	/nfs/dbraw/zinc/75/59/44/570755944.db2.gz	MESCRVFXLLWZPX-QMMMGPOBSA-N	-1	3	355.243	1.423	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)Cn3nnc4ccccc43)C[C@H]21	ZINC000012120050	518588683	/nfs/dbraw/zinc/58/86/83/518588683.db2.gz	RSMPBGBOAGPFRC-OCCSQVGLSA-N	-1	3	364.409	1.011	40	0		FDABHM
COc1ccc(OC)c(NC(=O)[C@@H]2C=C([O-])NC(Nc3ccccc3)=N2)c1	ZINC000014606995	518694660	/nfs/dbraw/zinc/69/46/60/518694660.db2.gz	OEANKOZJRBPFLK-HNNXBMFYSA-N	-1	3	368.393	1.999	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000015359040	518719016	/nfs/dbraw/zinc/71/90/16/518719016.db2.gz	DCMHJZNXUKPFKD-SECBINFHSA-N	-1	3	358.441	1.734	40	0		FDABHM
Cc1cnc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cn1	ZINC000019238894	518805604	/nfs/dbraw/zinc/80/56/04/518805604.db2.gz	DFQHXTYKXHXJRB-INIZCTEOSA-N	-1	3	362.393	1.908	40	0		FDABHM
CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019448301	518812774	/nfs/dbraw/zinc/81/27/74/518812774.db2.gz	QGPHAAMGFHQRSF-KRWDZBQOSA-N	-1	3	367.453	1.909	40	0		FDABHM
CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)Cc1ccc(OC)cc1	ZINC000071980163	522142203	/nfs/dbraw/zinc/14/22/03/522142203.db2.gz	DARHZPNVXLAUGG-INIZCTEOSA-N	-1	3	362.426	1.362	40	0		FDABHM
Cc1cc(C)nc([N-]c2nccnc2[C@H]2CCCN(C(CO)CO)C2)n1	ZINC000072363677	522225852	/nfs/dbraw/zinc/22/58/52/522225852.db2.gz	CGYJAMNCULZUCE-AWEZNQCLSA-N	-1	3	358.446	1.160	40	0		FDABHM
COC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408625732	570592013	/nfs/dbraw/zinc/59/20/13/570592013.db2.gz	UBSGAIFLZZBIIJ-VHSXEESVSA-N	-1	3	364.851	1.167	40	0		FDABHM
COCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408627063	570592934	/nfs/dbraw/zinc/59/29/34/570592934.db2.gz	XTQBPIISXRXLQP-SNVBAGLBSA-N	-1	3	364.851	1.168	40	0		FDABHM
Cc1nc([C@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)cc(=O)[n-]1	ZINC000257215278	571150999	/nfs/dbraw/zinc/15/09/99/571150999.db2.gz	CPLNOLRIMSKOKL-OAHLLOKOSA-N	-1	3	359.430	1.801	40	0		FDABHM
COCc1ccc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)cc1	ZINC000257273964	571156938	/nfs/dbraw/zinc/15/69/38/571156938.db2.gz	NIYKXSNJTOYHCN-KRWDZBQOSA-N	-1	3	357.410	1.802	40	0		FDABHM
Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccc2n[n-]nc2c1	ZINC000257273641	571156944	/nfs/dbraw/zinc/15/69/44/571156944.db2.gz	NHNMPRYDMQCXEL-CQSZACIVSA-N	-1	3	352.398	1.530	40	0		FDABHM
O=C([O-])COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1	ZINC000001533380	204012569	/nfs/dbraw/zinc/01/25/69/204012569.db2.gz	MXWICZOXPUWAHY-HNNXBMFYSA-N	-1	3	361.394	1.558	40	0	in-vitro	FDABHM
O=C(Cc1nnc(=S)[n-]c1CC(=O)c1cccnc1)c1cccnc1	ZINC000001591667	204014073	/nfs/dbraw/zinc/01/40/73/204014073.db2.gz	OIBGYMDOLVLJKJ-UHFFFAOYSA-N	-1	3	351.391	1.801	40	0		FDABHM
CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(F)cc1F	ZINC000071980228	205458828	/nfs/dbraw/zinc/45/88/28/205458828.db2.gz	VUNHAENOMXHANS-AWEZNQCLSA-N	-1	3	354.353	1.702	40	0		FDABHM
N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000014651453	518693973	/nfs/dbraw/zinc/69/39/73/518693973.db2.gz	JMCOUWKXLXDERB-FUHWJXTLSA-N	-1	3	351.406	1.850	40	0	endogenous,in-man	FDABHM
CC1CCN(c2nc([C@H]3CC(=O)N(Cc4ccccn4)C3)cc(=O)[n-]2)CC1	ZINC000019497041	518812415	/nfs/dbraw/zinc/81/24/15/518812415.db2.gz	RQNBUTQGCXQWMC-HNNXBMFYSA-N	-1	3	367.453	1.917	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(OC)c1	ZINC000071980346	522145528	/nfs/dbraw/zinc/14/55/28/522145528.db2.gz	KFLVOEALOYODKG-MRXNPFEDSA-N	-1	3	362.426	1.823	40	0		FDABHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCO)cc2)c1	ZINC000107862680	525924851	/nfs/dbraw/zinc/92/48/51/525924851.db2.gz	CXRLXOZXRUWETH-UHFFFAOYSA-N	-1	3	364.423	1.283	40	0		FDABHM
Cc1nc(C)c(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)[n-]1	ZINC000019937526	526706975	/nfs/dbraw/zinc/70/69/75/526706975.db2.gz	KXDYIAHAJRBFBI-RMKNXTFCSA-N	-1	3	366.465	1.787	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1C(=O)[O-]	ZINC000222669239	537511924	/nfs/dbraw/zinc/51/19/24/537511924.db2.gz	IJFSGPLHKDHKDF-UHFFFAOYSA-N	-1	3	358.181	1.592	40	0		FDABHM
CN(C)C(=O)CO[C@H]1CSC2(CN(C(=O)c3cccc([O-])c3)C2)C1	ZINC000575404053	550460455	/nfs/dbraw/zinc/46/04/55/550460455.db2.gz	PKANTGGPBISROQ-CQSZACIVSA-N	-1	3	350.440	1.197	40	0		FDABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCOCC1	ZINC000585095381	551568467	/nfs/dbraw/zinc/56/84/67/551568467.db2.gz	TZAUYUVJRXOQSB-INIZCTEOSA-N	-1	3	370.409	1.035	40	0		FDABHM
O=C(c1ccc2n[n-]nc2c1)N1CC[C@@](O)(COc2cccc(F)c2)C1	ZINC000585275706	551576706	/nfs/dbraw/zinc/57/67/06/551576706.db2.gz	GGNITFVBZLLABA-SFHVURJKSA-N	-1	3	356.357	1.753	40	0		FDABHM
CCNC(=S)NN=c1nc(N2CCCCC2)nc(N2CCCCC2)[n-]1	ZINC000408724383	570678059	/nfs/dbraw/zinc/67/80/59/570678059.db2.gz	DUUUGINLBGGASN-UHFFFAOYSA-N	-1	3	364.523	1.663	40	0		FDABHM
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1	ZINC000257280126	571157471	/nfs/dbraw/zinc/15/74/71/571157471.db2.gz	OJNRYOFHTWHOPO-IIAWOOMASA-N	-1	3	351.428	1.059	40	0		FDABHM
Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3cc(=O)[n-]c(C)n3)C2)n1	ZINC000257296837	571159026	/nfs/dbraw/zinc/15/90/26/571159026.db2.gz	REOFFCGLXKARKR-INIZCTEOSA-N	-1	3	359.430	1.684	40	0		FDABHM
Cn1c(CN2CCOC[C@H](Cc3cc(=O)[n-]cn3)C2)nc2ccccc21	ZINC000257334998	571162916	/nfs/dbraw/zinc/16/29/16/571162916.db2.gz	YIFSBNLEYAIHIA-CQSZACIVSA-N	-1	3	353.426	1.760	40	0		FDABHM
COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)[O-])Cn2ccnc23)cc1	ZINC000105983093	206012520	/nfs/dbraw/zinc/01/25/20/206012520.db2.gz	LUQAMCAAEPFYDV-INIZCTEOSA-N	-1	3	357.410	1.866	40	0		FDABHM
Cn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3cccnc3)cc2oc1=O	ZINC000223342023	206438977	/nfs/dbraw/zinc/43/89/77/206438977.db2.gz	SKDBQMDJBNFTSD-UHFFFAOYSA-N	-1	3	353.787	1.658	40	0		FDABHM
CC(=O)N1CC[C@H](n2cccn2)c2cc(NC(=O)c3nc[n-]n3)ccc21	ZINC000096087115	132218934	/nfs/dbraw/zinc/21/89/34/132218934.db2.gz	NWIRMPRRTQBFEW-HNNXBMFYSA-N	-1	3	351.370	1.600	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)c(=O)[n-]1	ZINC000012085002	518585953	/nfs/dbraw/zinc/58/59/53/518585953.db2.gz	FADIFWKGTGQNFN-LBPRGKRZSA-N	-1	3	370.388	1.927	40	0		FDABHM
CN1CCc2c(nc(C3CCN(C(=O)c4cccnc4)CC3)[n-]c2=O)C1	ZINC000019590750	518820094	/nfs/dbraw/zinc/82/00/94/518820094.db2.gz	XASMPSFUCIVFET-UHFFFAOYSA-N	-1	3	353.426	1.585	40	0		FDABHM
CCN(CC)c1nc(Cn2nc(OC)c3ccccc3c2=O)cc(=O)[n-]1	ZINC000019717524	518830748	/nfs/dbraw/zinc/83/07/48/518830748.db2.gz	GSAYRJPATAVGNO-UHFFFAOYSA-N	-1	3	355.398	1.383	40	0		FDABHM
O=C([O-])[C@H]1CN2CCN(Cc3ccco3)C[C@H]2CN(Cc2ccco2)C1	ZINC000096184951	525146280	/nfs/dbraw/zinc/14/62/80/525146280.db2.gz	ANVRRTZZSCHGDO-CVEARBPZSA-N	-1	3	359.426	1.575	40	0		FDABHM
COc1ccc(NC(=O)C2([N-]S(C)(=O)=O)CCCCC2)c(OC)c1	ZINC000225958415	537563883	/nfs/dbraw/zinc/56/38/83/537563883.db2.gz	ZNOOTACRRCHLLM-UHFFFAOYSA-N	-1	3	356.444	1.894	40	0		FDABHM
COC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000408592305	570573101	/nfs/dbraw/zinc/57/31/01/570573101.db2.gz	LACFTFGEZZQLLS-DTWKUNHWSA-N	-1	3	369.270	1.811	40	0		FDABHM
Cn1ccnc1C(=O)N1CCC(c2ccnc([N-]c3cnccn3)n2)CC1	ZINC000257206503	571149835	/nfs/dbraw/zinc/14/98/35/571149835.db2.gz	BDTUQGGONNWTBI-UHFFFAOYSA-N	-1	3	364.413	1.764	40	0		FDABHM
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1	ZINC000001621086	204015224	/nfs/dbraw/zinc/01/52/24/204015224.db2.gz	JOIOULVSIQLUNS-UHFFFAOYSA-N	-1	3	355.441	1.368	40	0		FDABHM
CSc1nc(Cl)c(Br)c(Nc2c[nH]c(=O)[n-]c2=O)n1	ZINC000001686841	204017385	/nfs/dbraw/zinc/01/73/85/204017385.db2.gz	CEQJPHHLURECQL-UHFFFAOYSA-N	-1	3	364.612	1.735	40	0		FDABHM
CCOC(=O)Cc1cc(=O)[n-]c(N2CCN(Cc3ccccc3)CC2)n1	ZINC000014608518	518695314	/nfs/dbraw/zinc/69/53/14/518695314.db2.gz	KWOQLQBUIMUIQX-UHFFFAOYSA-N	-1	3	356.426	1.198	40	0		FDABHM
COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([O-])c(Br)c1	ZINC000015016901	518705289	/nfs/dbraw/zinc/70/52/89/518705289.db2.gz	ARSLVQGBNFBULJ-LLVKDONJSA-N	-1	3	366.175	1.603	40	0		FDABHM
O=C(C1CC1)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)C4CCC4)C3)nc2C1	ZINC000019014454	518801226	/nfs/dbraw/zinc/80/12/26/518801226.db2.gz	JQSWKTQPKYKOMB-AWEZNQCLSA-N	-1	3	370.453	1.593	40	0		FDABHM
CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019498835	518814708	/nfs/dbraw/zinc/81/47/08/518814708.db2.gz	UMTQIDKGRDTNMZ-OAHLLOKOSA-N	-1	3	358.442	1.528	40	0		FDABHM
CN(C)c1ncc(CN2CCc3c(nc(N4CCCCC4)[n-]c3=O)C2)cn1	ZINC000019585548	518820873	/nfs/dbraw/zinc/82/08/73/518820873.db2.gz	YDPQZSLVUFIUCK-UHFFFAOYSA-N	-1	3	369.473	1.175	40	0		FDABHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000019961146	518840869	/nfs/dbraw/zinc/84/08/69/518840869.db2.gz	XSPUHPCGZCRVBG-ZDUSSCGKSA-N	-1	3	367.409	1.743	40	0		FDABHM
CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc(F)cc(F)c1	ZINC000071980231	522143613	/nfs/dbraw/zinc/14/36/13/522143613.db2.gz	QHNZEKQYNQUFFL-CQSZACIVSA-N	-1	3	354.353	1.702	40	0		FDABHM
O=C(c1ccc2n[n-]nc2c1)N1CCO[C@](CO)(Cc2ccccc2)C1	ZINC000585278240	551577806	/nfs/dbraw/zinc/57/78/06/551577806.db2.gz	OFYAIXHDFAJBHO-LJQANCHMSA-N	-1	3	352.394	1.404	40	0		FDABHM
CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(C(=O)[O-])c3)C2)C1	ZINC000514289202	560033210	/nfs/dbraw/zinc/03/32/10/560033210.db2.gz	JJSPPOIOGKAUDQ-RBUKOAKNSA-N	-1	3	373.497	1.346	40	0	biogenic,in-vitro	FDABHM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000257289585	571158680	/nfs/dbraw/zinc/15/86/80/571158680.db2.gz	PZHJBXVDZOVIJU-SNVBAGLBSA-N	-1	3	359.411	1.319	40	0		FDABHM
O=C(c1cnccn1)N1CCC(c2ccnc([N-]c3cnccn3)n2)CC1	ZINC000257319513	571161373	/nfs/dbraw/zinc/16/13/73/571161373.db2.gz	VSWSYQIXCVIKJW-UHFFFAOYSA-N	-1	3	362.397	1.820	40	0		FDABHM
CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)NCCc2ccccc2)N1	ZINC000003905087	204114702	/nfs/dbraw/zinc/11/47/02/204114702.db2.gz	OSPUDCFSUAVQAR-HNNXBMFYSA-N	-1	3	357.332	1.595	40	0		FDABHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CSc1nccc(-c2ccccc2)n1	ZINC000004967869	204180429	/nfs/dbraw/zinc/18/04/29/204180429.db2.gz	AEVUVWJAHWIXDK-UHFFFAOYSA-N	-1	3	369.406	1.559	40	0		FDABHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C)c1	ZINC000013582166	204536949	/nfs/dbraw/zinc/53/69/49/204536949.db2.gz	UXIGHWFYHCWKOG-UHFFFAOYSA-N	-1	3	359.407	1.942	40	0		FDABHM
COc1ccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000011716160	518570022	/nfs/dbraw/zinc/57/00/22/518570022.db2.gz	IYSPOJWNHYYJIQ-UHFFFAOYSA-N	-1	3	364.423	1.876	40	0		FDABHM
O=c1[n-]c(-c2cnccn2)nc2c1CCN(Cc1ccc(F)cc1)CC2	ZINC000019334483	518807903	/nfs/dbraw/zinc/80/79/03/518807903.db2.gz	QAXJQBKHEPAPNQ-UHFFFAOYSA-N	-1	3	351.385	1.967	40	0		FDABHM
O=C(CN1CCCC1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[n-]1	ZINC000019402475	518810278	/nfs/dbraw/zinc/81/02/78/518810278.db2.gz	IBEMZXNOELVOLN-INIZCTEOSA-N	-1	3	353.426	1.591	40	0		FDABHM
O=C(c1cnccn1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1	ZINC000019403693	518810472	/nfs/dbraw/zinc/81/04/72/518810472.db2.gz	ASSNTLNSRVXALY-UHFFFAOYSA-N	-1	3	368.422	1.703	40	0		FDABHM
C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496057	518812144	/nfs/dbraw/zinc/81/21/44/518812144.db2.gz	CHTPIMHENCHKKT-GASCZTMLSA-N	-1	3	373.501	1.518	40	0		FDABHM
Cc1nc2c(nnn2C2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)[n-]1	ZINC000072335971	522217335	/nfs/dbraw/zinc/21/73/35/522217335.db2.gz	WLYHDGCHDJGMPQ-UHFFFAOYSA-N	-1	3	356.361	1.852	40	0		FDABHM
Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@@H]2C(=O)[O-])cc1	ZINC000096198721	525149816	/nfs/dbraw/zinc/14/98/16/525149816.db2.gz	QGONOYXHPYQUDC-GOEBONIOSA-N	-1	3	352.456	1.697	40	0		FDABHM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCCC2)s1	ZINC000224800644	537542671	/nfs/dbraw/zinc/54/26/71/537542671.db2.gz	KSDCNRMDWCRIIT-UHFFFAOYSA-N	-1	3	361.493	1.041	40	0		FDABHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1	ZINC000225280474	537544420	/nfs/dbraw/zinc/54/44/20/537544420.db2.gz	XTAHLAYGIUFZRC-LBPRGKRZSA-N	-1	3	353.371	1.953	40	0		FDABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCCCO1	ZINC000585095960	551569134	/nfs/dbraw/zinc/56/91/34/551569134.db2.gz	VISIUKPOUNENOU-MRXNPFEDSA-N	-1	3	370.409	1.730	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nccnc1[N-]c1nccs1	ZINC000585293162	551580298	/nfs/dbraw/zinc/58/02/98/551580298.db2.gz	YNLZUWJGCZQPQN-BPJJOFIESA-N	-1	3	358.471	2.458	40	0		FDABHM
COC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408625731	570591978	/nfs/dbraw/zinc/59/19/78/570591978.db2.gz	UBSGAIFLZZBIIJ-UWVGGRQHSA-N	-1	3	364.851	1.167	40	0		FDABHM
COc1cccc(CC(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257322696	571162003	/nfs/dbraw/zinc/16/20/03/571162003.db2.gz	WGZYNZZTEKYWCR-QGZVFWFLSA-N	-1	3	357.410	1.594	40	0		FDABHM
NC(=O)[C@@H]1CCCN1CC[C@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)[O-]	ZINC000020463007	206332393	/nfs/dbraw/zinc/33/23/93/206332393.db2.gz	WXAHMXZPFIZPOT-JYJNAYRXSA-N	-1	3	365.474	1.066	40	0	biogenic,in-vitro	FDABHM
N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-]	ZINC000016900022	518771619	/nfs/dbraw/zinc/77/16/19/518771619.db2.gz	KNEYGOJFOKQPQX-WCBMZHEXSA-N	-1	3	363.222	1.770	40	0		FDABHM
Cc1nc(C(=O)Nc2ccnn2Cc2ccc3c(c2)OCO3)cc(=O)[n-]1	ZINC000019240933	518805961	/nfs/dbraw/zinc/80/59/61/518805961.db2.gz	FBEYNZBAAHURKC-UHFFFAOYSA-N	-1	3	353.338	1.304	40	0		FDABHM
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496213	518811765	/nfs/dbraw/zinc/81/17/65/518811765.db2.gz	RTVJRJLMDQXMFP-ZBFHGGJFSA-N	-1	3	373.501	1.423	40	0		FDABHM
CCn1nc(C)c(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1C	ZINC000019523837	518814585	/nfs/dbraw/zinc/81/45/85/518814585.db2.gz	FRWKFISPKKIONA-UHFFFAOYSA-N	-1	3	370.501	1.804	40	0		FDABHM
CN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccnc([N-]c2cnccn2)n1	ZINC000072377832	522229056	/nfs/dbraw/zinc/22/90/56/522229056.db2.gz	RUPLMDYHMIMAJB-CYBMUJFWSA-N	-1	3	363.447	1.344	40	0		FDABHM
COc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)cc1	ZINC000222671791	537511097	/nfs/dbraw/zinc/51/10/97/537511097.db2.gz	QVCACZAVDFQTKH-UHFFFAOYSA-N	-1	3	359.382	1.219	40	0		FDABHM
O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1cccnc1	ZINC000575406845	550460905	/nfs/dbraw/zinc/46/09/05/550460905.db2.gz	VRWGFNDBKMKRLM-KBAYOESNSA-N	-1	3	367.405	1.304	40	0		FDABHM
CC(C)CN1CCC[C@H]1c1nc(-c2ccnc([N-]S(C)(=O)=O)c2)no1	ZINC000035425570	560080743	/nfs/dbraw/zinc/08/07/43/560080743.db2.gz	XTGVYIBLTGJPQM-ZDUSSCGKSA-N	-1	3	365.459	2.296	40	0	biogenic,in-vitro	FDABHM
CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccccc1Cl	ZINC000006462595	204249225	/nfs/dbraw/zinc/24/92/25/204249225.db2.gz	OVZVUTXIDWASRH-UHFFFAOYSA-N	-1	3	354.823	1.629	40	0		FDABHM
CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccc(Cl)cc1	ZINC000006462591	204249338	/nfs/dbraw/zinc/24/93/38/204249338.db2.gz	SBWKNPUZCBBZDC-UHFFFAOYSA-N	-1	3	354.823	1.629	40	0		FDABHM
Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@H]2C(=O)[O-])cc1	ZINC000107214473	206016395	/nfs/dbraw/zinc/01/63/95/206016395.db2.gz	QGONOYXHPYQUDC-ZBFHGGJFSA-N	-1	3	352.456	1.697	40	0		FDABHM
COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[O-])c1	ZINC000006681455	206204019	/nfs/dbraw/zinc/20/40/19/206204019.db2.gz	GCMNLNGCFWYUSU-UHFFFAOYSA-N	-1	3	370.452	1.973	40	0		FDABHM
Cc1cccc(CC(=O)N[C@H](C)c2cc(=O)[n-]c(N3CCN(C)CC3)n2)c1	ZINC000019234823	136152236	/nfs/dbraw/zinc/15/22/36/136152236.db2.gz	KIRHPWAYJKCXOJ-OAHLLOKOSA-N	-1	3	369.469	1.250	40	0		FDABHM
Cc1ccccc1COCCOCn1cc(Br)c(=O)[n-]c1=O	ZINC000004697970	518308415	/nfs/dbraw/zinc/30/84/15/518308415.db2.gz	NMBSBAYDNSICGZ-UHFFFAOYSA-N	-1	3	369.215	1.798	40	0		FDABHM
O=C(c1ccncc1)N1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367165	518608047	/nfs/dbraw/zinc/60/80/47/518608047.db2.gz	BFNBWKNQASWIOB-AWEZNQCLSA-N	-1	3	355.398	1.044	40	0		FDABHM
Cc1c(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cnn1C	ZINC000019553157	518815794	/nfs/dbraw/zinc/81/57/94/518815794.db2.gz	LXTMZPFTILNWFI-CQSZACIVSA-N	-1	3	364.409	1.504	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(F)c1	ZINC000071980327	522146291	/nfs/dbraw/zinc/14/62/91/522146291.db2.gz	KIWLVTZVVLKSFT-HNNXBMFYSA-N	-1	3	350.390	1.953	40	0		FDABHM
CC[C@H]([N-]S(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc(OC)cc1	ZINC000223759621	537533678	/nfs/dbraw/zinc/53/36/78/537533678.db2.gz	GLXSPIDWYIEANM-LBPRGKRZSA-N	-1	3	370.456	1.935	40	0		FDABHM
COc1cccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1	ZINC000224542986	537542058	/nfs/dbraw/zinc/54/20/58/537542058.db2.gz	BRFOCHVHBYDGTF-UHFFFAOYSA-N	-1	3	356.425	1.868	40	0		FDABHM
COc1cccc(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000224542986	537542068	/nfs/dbraw/zinc/54/20/68/537542068.db2.gz	BRFOCHVHBYDGTF-UHFFFAOYSA-N	-1	3	356.425	1.868	40	0		FDABHM
COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225715645	537556828	/nfs/dbraw/zinc/55/68/28/537556828.db2.gz	WGMGNYBBDPAEAU-MRVPVSSYSA-N	-1	3	356.429	1.545	40	0		FDABHM
O=C(c1cccc([O-])c1)N1CC2(C1)[C@@H](COCC1CC1)CCS2(=O)=O	ZINC000306125229	537600782	/nfs/dbraw/zinc/60/07/82/537600782.db2.gz	CJYAFXLCXVVSJL-OAHLLOKOSA-N	-1	3	365.451	1.448	40	0		FDABHM
Cc1cc(C)n2ncc(CN3CCO[C@H](c4cc(=O)[n-]c(C)n4)C3)c2n1	ZINC000257201689	571149472	/nfs/dbraw/zinc/14/94/72/571149472.db2.gz	AIOXDMBEYUEJPW-INIZCTEOSA-N	-1	3	354.414	1.724	40	0		FDABHM
O=C(c1n[nH]c2c1CCCC2)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257239005	571153301	/nfs/dbraw/zinc/15/33/01/571153301.db2.gz	HNNJYYYQRSSDDT-ZDUSSCGKSA-N	-1	3	357.414	1.258	40	0		FDABHM
CC(C)c1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1	ZINC000257278419	571157485	/nfs/dbraw/zinc/15/74/85/571157485.db2.gz	OCEQHTBEQHCQFS-ZHALLVOQSA-N	-1	3	362.470	1.812	40	0		FDABHM
O=C([O-])COc1ccc(CN2CCOC[C@H](Cc3ccncn3)C2)cc1	ZINC000257290922	571158760	/nfs/dbraw/zinc/15/87/60/571158760.db2.gz	QEVPGPGTCBTGPP-MRXNPFEDSA-N	-1	3	357.410	1.631	40	0		FDABHM
CC(C)c1ncc(C(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)cn1	ZINC000257343961	571163241	/nfs/dbraw/zinc/16/32/41/571163241.db2.gz	ZVCVOSJAAMUWQV-HNNXBMFYSA-N	-1	3	357.414	1.569	40	0		FDABHM
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002575127	204045627	/nfs/dbraw/zinc/04/56/27/204045627.db2.gz	JMCOUWKXLXDERB-WMZOPIPTSA-N	-1	3	351.406	1.850	40	0	endogenous,in-man	FDABHM
N[C@H](CS[C@@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)[O-]	ZINC000004894779	206183471	/nfs/dbraw/zinc/18/34/71/206183471.db2.gz	JUHAVNXIAQKYKZ-PSASIEDQSA-N	-1	3	373.228	1.226	40	0		FDABHM
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)cc1	ZINC000014607175	206310334	/nfs/dbraw/zinc/31/03/34/206310334.db2.gz	PEEQENIUBWLOPK-CYBMUJFWSA-N	-1	3	371.397	1.118	40	0		FDABHM
CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc(Cl)c1[O-]	ZINC000006958707	518395447	/nfs/dbraw/zinc/39/54/47/518395447.db2.gz	OEVOUSKHFJQRLP-YHYXMXQVSA-N	-1	3	370.814	1.675	40	0		FDABHM
Cc1cc(C(=O)N2C[C@@H]3c4nc(N5CCCC5)[n-]c(=O)c4CC[C@@H]3C2)on1	ZINC000012120124	518589042	/nfs/dbraw/zinc/58/90/42/518589042.db2.gz	LDXPKGAILJIZQD-OCCSQVGLSA-N	-1	3	369.425	1.469	40	0		FDABHM
N[C@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-]	ZINC000016900023	518771510	/nfs/dbraw/zinc/77/15/10/518771510.db2.gz	KNEYGOJFOKQPQX-PSASIEDQSA-N	-1	3	363.222	1.770	40	0		FDABHM
Cc1cnc(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cn1	ZINC000019238822	518806412	/nfs/dbraw/zinc/80/64/12/518806412.db2.gz	REJAWSKWJIVTJE-AWEZNQCLSA-N	-1	3	362.393	1.560	40	0		FDABHM
O=C(CCn1cccn1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1	ZINC000019402529	518810373	/nfs/dbraw/zinc/81/03/73/518810373.db2.gz	VTDGOQITIBWPKA-CQSZACIVSA-N	-1	3	364.409	1.435	40	0		FDABHM
COC(=O)C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1	ZINC000020110697	518844908	/nfs/dbraw/zinc/84/49/08/518844908.db2.gz	WYCOKBGVIUNJJW-UHFFFAOYSA-N	-1	3	374.846	1.737	40	0		FDABHM
COc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnc2c1nc(C)[n-]c2=O	ZINC000072324955	522214619	/nfs/dbraw/zinc/21/46/19/522214619.db2.gz	PBVCIDCUGXRRPC-GFCCVEGCSA-N	-1	3	368.397	1.549	40	0		FDABHM
N[C@@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000101273550	525218460	/nfs/dbraw/zinc/21/84/60/525218460.db2.gz	WEKRWNXUMVTXMR-CBAPKCEASA-N	-1	3	363.222	1.770	40	0		FDABHM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1	ZINC000257212441	571150499	/nfs/dbraw/zinc/15/04/99/571150499.db2.gz	CDKVVPRFUWLWNX-INIZCTEOSA-N	-1	3	356.426	1.766	40	0		FDABHM
CC(C)(C)c1cc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)[nH]n1	ZINC000257274106	571156835	/nfs/dbraw/zinc/15/68/35/571156835.db2.gz	NJPCMEFFUBRPLE-CYBMUJFWSA-N	-1	3	359.430	1.677	40	0		FDABHM
CCn1cc(CN2CCC[C@@H](Cc3[n-]ncc3S(C)(=O)=O)C2)cn1	ZINC000257305429	571160101	/nfs/dbraw/zinc/16/01/01/571160101.db2.gz	SPYOZVZCFZZZME-ZDUSSCGKSA-N	-1	3	351.476	1.484	40	0		FDABHM
CCn1cc(CN2CCC[C@@H](Cc3n[n-]cc3S(C)(=O)=O)C2)cn1	ZINC000257305429	571160102	/nfs/dbraw/zinc/16/01/02/571160102.db2.gz	SPYOZVZCFZZZME-ZDUSSCGKSA-N	-1	3	351.476	1.484	40	0		FDABHM
Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@@H]2C(=O)[O-])cc1	ZINC000096198722	209133101	/nfs/dbraw/zinc/13/31/01/209133101.db2.gz	QGONOYXHPYQUDC-GDBMZVCRSA-N	-1	3	352.456	1.697	40	0		FDABHM
O=C([O-])[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccncc1)CCC2	ZINC000096185232	209131295	/nfs/dbraw/zinc/13/12/95/209131295.db2.gz	FKXDRTVRNXQINB-LPHOPBHVSA-N	-1	3	353.426	1.675	40	0		FDABHM
C[C@@]1(CCC(=O)N2CCC(Oc3cccc(F)c3)CC2)NC(=O)[N-]C1=O	ZINC000019460262	220261647	/nfs/dbraw/zinc/26/16/47/220261647.db2.gz	QCZSJHKFADFZFD-SFHVURJKSA-N	-1	3	363.389	1.574	40	0		FDABHM
CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019445515	263374147	/nfs/dbraw/zinc/37/41/47/263374147.db2.gz	QXYGULJHZFHOJL-QGZVFWFLSA-N	-1	3	361.490	1.525	40	0		FDABHM
Cc1ccc(OCCOCn2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000004697962	518308432	/nfs/dbraw/zinc/30/84/32/518308432.db2.gz	RJAHLSXSRQXGGI-UHFFFAOYSA-N	-1	3	355.188	1.661	40	0	biogenic,in-vitro	FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(Cn3cc(Cl)cn3)o1)C2	ZINC000012155822	518592671	/nfs/dbraw/zinc/59/26/71/518592671.db2.gz	HLDPVRUCZYHWLZ-UHFFFAOYSA-N	-1	3	373.800	1.768	40	0		FDABHM
CCc1cc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)on1	ZINC000012367278	518608191	/nfs/dbraw/zinc/60/81/91/518608191.db2.gz	DOANFPSYKYXQOP-LBPRGKRZSA-N	-1	3	373.413	1.199	40	0		FDABHM
CCc1c(C)nc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[n-]c1=O	ZINC000019521593	518814916	/nfs/dbraw/zinc/81/49/16/518814916.db2.gz	PVAZQIGVUCNNHZ-MRXNPFEDSA-N	-1	3	368.437	1.795	40	0		FDABHM
CCN1CCN(c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)cc(=O)[n-]2)CC1	ZINC000019528234	518816032	/nfs/dbraw/zinc/81/60/32/518816032.db2.gz	CZUWDVYSXSWJFC-HNNXBMFYSA-N	-1	3	373.501	1.973	40	0		FDABHM
Cc1ncncc1C(=O)N[C@@H](C)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019553013	518816358	/nfs/dbraw/zinc/81/63/58/518816358.db2.gz	SNHUEOQJJQKHJJ-ZDUSSCGKSA-N	-1	3	356.430	1.596	40	0		FDABHM
CN1CCN(c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[n-]2)CC1	ZINC000019590103	518820843	/nfs/dbraw/zinc/82/08/43/518820843.db2.gz	RKBMXCHZCGQPNQ-INIZCTEOSA-N	-1	3	367.453	1.450	40	0		FDABHM
COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225715669	537556535	/nfs/dbraw/zinc/55/65/35/537556535.db2.gz	WGMGNYBBDPAEAU-QMMMGPOBSA-N	-1	3	356.429	1.545	40	0		FDABHM
Cc1cccc2nc(C(=O)N3CCO[C@@H](c4cc(=O)[n-]c(C)n4)C3)cn21	ZINC000257327740	210001456	/nfs/dbraw/zinc/00/14/56/210001456.db2.gz	XCNFJYLJHHDEEA-OAHLLOKOSA-N	-1	3	353.382	1.660	40	0		FDABHM
O=C(c1cccnc1)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1	ZINC000100745124	209217173	/nfs/dbraw/zinc/21/71/73/209217173.db2.gz	JLFZUEYJXKEHOP-ZDUSSCGKSA-N	-1	3	363.377	1.975	40	0		FDABHM
Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@@H]2C(=O)[O-])c1	ZINC000096198715	209133322	/nfs/dbraw/zinc/13/33/22/209133322.db2.gz	BNLPBKHPBIITBM-GOEBONIOSA-N	-1	3	352.456	1.697	40	0		FDABHM
CCc1nn2c(nnc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(F)cc1	ZINC000040391792	208248269	/nfs/dbraw/zinc/24/82/69/208248269.db2.gz	KOIZYCZKFKSQEF-UHFFFAOYSA-N	-1	3	367.344	1.430	40	0		FDABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C[C@H](C)O1	ZINC000072335492	136144509	/nfs/dbraw/zinc/14/45/09/136144509.db2.gz	MIBKVPKXJROZAF-OKILXGFUSA-N	-1	3	355.442	1.749	40	0		FDABHM
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1	ZINC000014607019	518695240	/nfs/dbraw/zinc/69/52/40/518695240.db2.gz	RTHUDRGPYQYSLI-ZDUSSCGKSA-N	-1	3	352.350	1.710	40	0		FDABHM
CO[C@@H](C(=O)N1[C@@H]2CC[C@H]1Cc1nc(C)[n-]c(=O)c1C2)c1ccccc1	ZINC000019286291	518805654	/nfs/dbraw/zinc/80/56/54/518805654.db2.gz	AGDHTKBTRWCSSS-RVKKMQEKSA-N	-1	3	353.422	1.924	40	0		FDABHM
C[C@@H](c1cc(=O)[n-]c(NC2CCOCC2)n1)n1ncc2ccccc2c1=O	ZINC000019717489	518830763	/nfs/dbraw/zinc/83/07/63/518830763.db2.gz	OXCAFIOROAPKBJ-LBPRGKRZSA-N	-1	3	367.409	1.680	40	0		FDABHM
O=C(Nc1ccccc1)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000019961133	518841700	/nfs/dbraw/zinc/84/17/00/518841700.db2.gz	FRYYNWLOWPJLNC-GFCCVEGCSA-N	-1	3	353.382	1.435	40	0		FDABHM
COc1cc(OC)c([C@@H]2CCN(C)C[C@@H]2OC(C)=O)c([O-])c1C(C)=O	ZINC000034453314	519593114	/nfs/dbraw/zinc/59/31/14/519593114.db2.gz	IGPSCQDNVKUGLW-DOMZBBRYSA-N	-1	3	351.399	1.963	40	0		FDABHM
COc1ccccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O	ZINC000222670868	537510297	/nfs/dbraw/zinc/51/02/97/537510297.db2.gz	GMIRRVMKXCQKEG-UHFFFAOYSA-N	-1	3	359.382	1.219	40	0		FDABHM
Cc1cncc(O[C@@H]2CCOC3(CN(C(=O)c4cccc([O-])c4)C3)C2)n1	ZINC000575406078	550460770	/nfs/dbraw/zinc/46/07/70/550460770.db2.gz	VFPSLBORXUSYTC-MRXNPFEDSA-N	-1	3	355.394	1.943	40	0		FDABHM
O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585096053	551568994	/nfs/dbraw/zinc/56/89/94/551568994.db2.gz	PCGXTDYDDNMMCE-QGZVFWFLSA-N	-1	3	366.377	1.695	40	0		FDABHM
C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585096372	551569347	/nfs/dbraw/zinc/56/93/47/551569347.db2.gz	KNIQDUVUIDHMBT-CYBMUJFWSA-N	-1	3	368.437	1.874	40	0		FDABHM
Cc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)c(C)c1	ZINC000222660100	568550840	/nfs/dbraw/zinc/55/08/40/568550840.db2.gz	QPMNSEVGNRCTGL-UHFFFAOYSA-N	-1	3	357.410	1.827	40	0		FDABHM
CC(=O)Nc1cc(C(=O)N2CCOC[C@@H]2c2cc(=O)[n-]c(C)n2)ccn1	ZINC000257225966	571152234	/nfs/dbraw/zinc/15/22/34/571152234.db2.gz	FIPUFRHPPLHEJN-CQSZACIVSA-N	-1	3	357.370	1.058	40	0		FDABHM
COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000257274477	571156953	/nfs/dbraw/zinc/15/69/53/571156953.db2.gz	NLEOLQONPMAKGX-QGZVFWFLSA-N	-1	3	357.410	1.950	40	0		FDABHM
Cc1ccc2cc3c(N)c(C(=O)Nc4c[nH]c(=O)[n-]c4=O)sc3nc2c1	ZINC000004848758	207053798	/nfs/dbraw/zinc/05/37/98/207053798.db2.gz	NKOMXMDZSQXCKM-UHFFFAOYSA-N	-1	3	367.390	1.969	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)CCc3cc(Cl)no3)C[C@H]21	ZINC000012120071	207339520	/nfs/dbraw/zinc/33/95/20/207339520.db2.gz	IHRBHIMBAKFXHR-MFKMUULPSA-N	-1	3	362.817	1.841	40	0		FDABHM
Cc1nc2c(nnn2C2CCN(C(=O)Cc3ccccc3F)CC2)c(=O)[n-]1	ZINC000012336903	207364133	/nfs/dbraw/zinc/36/41/33/207364133.db2.gz	YADXXRLXQOIKJK-UHFFFAOYSA-N	-1	3	370.388	1.781	40	0		FDABHM
COc1cccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000043843353	208309216	/nfs/dbraw/zinc/30/92/16/208309216.db2.gz	KZAVATGDNHGZON-UHFFFAOYSA-N	-1	3	364.423	1.876	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)C2	ZINC000012155798	518593427	/nfs/dbraw/zinc/59/34/27/518593427.db2.gz	VXZMFBNIKNUAKN-HNNXBMFYSA-N	-1	3	366.421	1.012	40	0		FDABHM
Cc1ccnn1CCC(=O)N[C@@H]1CCCN(c2nc(C)c(C)c(=O)[n-]2)C1	ZINC000012188593	518594589	/nfs/dbraw/zinc/59/45/89/518594589.db2.gz	HXXOROUPOUYLCI-OAHLLOKOSA-N	-1	3	358.446	1.067	40	0		FDABHM
CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1	ZINC000019448309	518812521	/nfs/dbraw/zinc/81/25/21/518812521.db2.gz	LMQDHWAVMPLVNN-KRWDZBQOSA-N	-1	3	367.453	1.909	40	0		FDABHM
CCOc1ccccc1C(=O)N1[C@H](C(=O)[O-])COC12CCN(CC)CC2	ZINC000071980248	522143007	/nfs/dbraw/zinc/14/30/07/522143007.db2.gz	JPQPPPAXQWYVQC-HNNXBMFYSA-N	-1	3	362.426	1.823	40	0		FDABHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1	ZINC000225280437	537543766	/nfs/dbraw/zinc/54/37/66/537543766.db2.gz	XTAHLAYGIUFZRC-GFCCVEGCSA-N	-1	3	353.371	1.953	40	0		FDABHM
O=C(c1ccc2n[n-]nc2c1)N1CCO[C@@](CO)(Cc2ccccc2)C1	ZINC000585278239	551577736	/nfs/dbraw/zinc/57/77/36/551577736.db2.gz	OFYAIXHDFAJBHO-IBGZPJMESA-N	-1	3	352.394	1.404	40	0		FDABHM
Cc1nc(N=c2[n-]ncs2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1	ZINC000585291251	551580534	/nfs/dbraw/zinc/58/05/34/551580534.db2.gz	ALHNVQRQQXLXAE-IHVVCDCBSA-N	-1	3	373.486	1.814	40	0		FDABHM
O=C([O-])c1[nH]c(=O)n(CCc2ccccc2)c(=O)c1CN1CCCCC1	ZINC000222655566	568550359	/nfs/dbraw/zinc/55/03/59/568550359.db2.gz	MQWPQKGKEQTXPM-UHFFFAOYSA-N	-1	3	357.410	1.463	40	0		FDABHM
COc1ccc(CC(=O)N2CCOC[C@H](Cc3cc(=O)[n-]cn3)C2)cc1	ZINC000257270931	571156653	/nfs/dbraw/zinc/15/66/53/571156653.db2.gz	MWFVJWNUKHMYAG-OAHLLOKOSA-N	-1	3	357.410	1.451	40	0		FDABHM
Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN(S(C)(=O)=O)C3)n2)n1	ZINC000072354339	208837747	/nfs/dbraw/zinc/83/77/47/208837747.db2.gz	PIQIOEXHYGRNPM-ZDUSSCGKSA-N	-1	3	362.459	1.766	40	0		FDABHM
COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C23)cc1	ZINC000003848809	518280042	/nfs/dbraw/zinc/28/00/42/518280042.db2.gz	VBGOURWEMQKEQW-WMLDXEAASA-N	-1	3	368.320	1.961	40	0		FDABHM
Cn1ccc(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)n1	ZINC000019290871	518805704	/nfs/dbraw/zinc/80/57/04/518805704.db2.gz	FROKTSUHKGWNCA-CYBMUJFWSA-N	-1	3	350.382	1.195	40	0		FDABHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1ccccc1F)CC2	ZINC000019349418	518808207	/nfs/dbraw/zinc/80/82/07/518808207.db2.gz	OQAQJDXEFIAJMN-UHFFFAOYSA-N	-1	3	358.417	1.346	40	0		FDABHM
O=C(CN1CCCC1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[n-]1	ZINC000019402478	518810974	/nfs/dbraw/zinc/81/09/74/518810974.db2.gz	IBEMZXNOELVOLN-MRXNPFEDSA-N	-1	3	353.426	1.591	40	0		FDABHM
Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[n-]1	ZINC000019583528	518820898	/nfs/dbraw/zinc/82/08/98/518820898.db2.gz	LOHDJHACKAAEAO-MRXNPFEDSA-N	-1	3	364.409	1.851	40	0		FDABHM
Cc1nc(N2CCN(CCO)CC2)[n-]c(=O)c1Cc1ccccc1Cl	ZINC000024252117	518984794	/nfs/dbraw/zinc/98/47/94/518984794.db2.gz	YTPNBVABVSLGKR-UHFFFAOYSA-N	-1	3	362.861	1.437	40	0		FDABHM
O=C(c1n[nH]c2ccccc21)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257226675	571152117	/nfs/dbraw/zinc/15/21/17/571152117.db2.gz	FLQRGBZOVPALPO-CYBMUJFWSA-N	-1	3	353.382	1.532	40	0		FDABHM
Cc1cc(C[C@@H]2COCCN(C(=O)c3ccc4n[n-]nc4c3)C2)ncn1	ZINC000257266840	571156051	/nfs/dbraw/zinc/15/60/51/571156051.db2.gz	METVQFLHWWFNMN-ZDUSSCGKSA-N	-1	3	352.398	1.388	40	0		FDABHM
Cc1nc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)cc(=O)[n-]1	ZINC000257268694	571156243	/nfs/dbraw/zinc/15/62/43/571156243.db2.gz	MMURSRSHWOERTC-KRWDZBQOSA-N	-1	3	353.378	1.867	40	0		FDABHM
O=C(CCOc1ccccc1)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257283401	571157840	/nfs/dbraw/zinc/15/78/40/571157840.db2.gz	OYDPTBDTNMAKRL-KRWDZBQOSA-N	-1	3	357.410	1.811	40	0		FDABHM
CCc1n[nH]cc1C(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2	ZINC000257324544	571161909	/nfs/dbraw/zinc/16/19/09/571161909.db2.gz	WPEYMUPAPNPXOW-ZMZPIMSZSA-N	-1	3	373.413	1.782	40	0		FDABHM
Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C[C@H]2C(=O)[O-])c1	ZINC000107214461	209275068	/nfs/dbraw/zinc/27/50/68/209275068.db2.gz	BNLPBKHPBIITBM-ZBFHGGJFSA-N	-1	3	352.456	1.697	40	0		FDABHM
O=C([O-])[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccnc1)CCC2	ZINC000096185231	209132056	/nfs/dbraw/zinc/13/20/56/209132056.db2.gz	QRNBWLOWLKIIJJ-LPHOPBHVSA-N	-1	3	353.426	1.675	40	0		FDABHM
CCOc1cc([C@@H]2C(C(=O)OC)C(C)=Nc3nnnn32)cc(Cl)c1[O-]	ZINC000004502630	207023843	/nfs/dbraw/zinc/02/38/43/207023843.db2.gz	AJDSOKALDZDVAW-GFCCVEGCSA-N	-1	3	365.777	1.893	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3cccc(N(C)C)c3)C[C@H]21	ZINC000012088725	207337602	/nfs/dbraw/zinc/33/76/02/207337602.db2.gz	XSPIKZVILLVDIP-PBHICJAKSA-N	-1	3	352.438	1.946	40	0		FDABHM
COc1cccc(C(=O)N2CCC(n3nnc4c3nc(C)[n-]c4=O)CC2)c1	ZINC000012336928	207363289	/nfs/dbraw/zinc/36/32/89/207363289.db2.gz	CNOIGBSVNWCRQO-UHFFFAOYSA-N	-1	3	368.397	1.721	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1	ZINC000223020153	132278380	/nfs/dbraw/zinc/27/83/80/132278380.db2.gz	PEPUIFKQRWVLGQ-UHFFFAOYSA-N	-1	3	368.436	1.646	40	0		FDABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)[n-]c2=O)C1	ZINC000019019067	518799940	/nfs/dbraw/zinc/79/99/40/518799940.db2.gz	NLBHFEJTNKNNNL-OAHLLOKOSA-N	-1	3	372.469	1.983	40	0		FDABHM
Cc1ccc(CC(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1	ZINC000019209778	518804700	/nfs/dbraw/zinc/80/47/00/518804700.db2.gz	VBKKBELQWMKXTQ-OAHLLOKOSA-N	-1	3	366.425	1.365	40	0		FDABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1	ZINC000183403980	535974436	/nfs/dbraw/zinc/97/44/36/535974436.db2.gz	GMEUWDVFFNZCQA-UHFFFAOYSA-N	-1	3	353.227	1.131	40	0		FDABHM
COc1cccc2c1[C@]1(C)CO[C@@H]3[C@@H]4C[C@@H](C(=O)[O-])[C@@H](N4C)[C@](C)(C2)N31	ZINC000223699628	537531054	/nfs/dbraw/zinc/53/10/54/537531054.db2.gz	OXRFEVHLAOHXCK-NBDFASIVSA-N	-1	3	358.438	1.671	40	0		FDABHM
O=C(NCc1ccco1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000575405310	550460775	/nfs/dbraw/zinc/46/07/75/550460775.db2.gz	RZKLXHCMRLDROE-QGZVFWFLSA-N	-1	3	366.377	1.695	40	0		FDABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCCCO1	ZINC000585095959	551568888	/nfs/dbraw/zinc/56/88/88/551568888.db2.gz	VISIUKPOUNENOU-INIZCTEOSA-N	-1	3	370.409	1.730	40	0		FDABHM
CC(C)CN1CC2(C1)CN(Cc1cccc(C(=O)[O-])c1)C[C@H]1C[C@@H](O)CN12	ZINC000514289507	560032259	/nfs/dbraw/zinc/03/22/59/560032259.db2.gz	MVPIUQZSOPCQDC-RTBURBONSA-N	-1	3	373.497	1.346	40	0	biogenic,in-vitro	FDABHM
COCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408627062	570592984	/nfs/dbraw/zinc/59/29/84/570592984.db2.gz	XTQBPIISXRXLQP-JTQLQIEISA-N	-1	3	364.851	1.168	40	0		FDABHM
Cc1nc([C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CCO2)cc(=O)[n-]1	ZINC000257215277	571150990	/nfs/dbraw/zinc/15/09/90/571150990.db2.gz	CPLNOLRIMSKOKL-HNNXBMFYSA-N	-1	3	359.430	1.801	40	0		FDABHM
Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257258380	571155112	/nfs/dbraw/zinc/15/51/12/571155112.db2.gz	KTPMVRGYZRKGCN-MRXNPFEDSA-N	-1	3	359.430	1.017	40	0		FDABHM
COc1ccc(CC(=O)N2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)cc1	ZINC000257270930	571156713	/nfs/dbraw/zinc/15/67/13/571156713.db2.gz	MWFVJWNUKHMYAG-HNNXBMFYSA-N	-1	3	357.410	1.451	40	0		FDABHM
CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(C)nc(=O)[n-]1)C2	ZINC000257299493	571159570	/nfs/dbraw/zinc/15/95/70/571159570.db2.gz	RQHRPBVPESBWMA-NQUFMGSDSA-N	-1	3	358.442	1.885	40	0		FDABHM
Cc1c(CN2CCc3c(=O)[n-]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cnn1C	ZINC000257219981	571203103	/nfs/dbraw/zinc/20/31/03/571203103.db2.gz	DJBKKFHRKKCLDJ-STQMWFEESA-N	-1	3	372.473	1.396	40	0		FDABHM
COc1cccc(CC(=O)N2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)c1	ZINC000012120020	207339143	/nfs/dbraw/zinc/33/91/43/207339143.db2.gz	JGLIHDHPFIPBAL-PBHICJAKSA-N	-1	3	353.422	1.818	40	0		FDABHM
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002575132	518243397	/nfs/dbraw/zinc/24/33/97/518243397.db2.gz	BMPPMAOOKQJYIP-WMZOPIPTSA-N	-1	3	367.405	1.555	40	0	endogenous,in-man	FDABHM
O=C(Cn1cncn1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344343	518808319	/nfs/dbraw/zinc/80/83/19/518808319.db2.gz	ZPKLVCCITVAXRE-LBPRGKRZSA-N	-1	3	370.438	1.496	40	0		FDABHM
CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)[n-]c2=O)C1	ZINC000019462934	518811438	/nfs/dbraw/zinc/81/14/38/518811438.db2.gz	NEMHGDKGTPQETL-XJKSGUPXSA-N	-1	3	358.486	1.898	40	0		FDABHM
Cc1ncncc1C(=O)N[C@H](C)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019553011	518816434	/nfs/dbraw/zinc/81/64/34/518816434.db2.gz	SNHUEOQJJQKHJJ-CYBMUJFWSA-N	-1	3	356.430	1.596	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1N1C(=O)CSC1=O	ZINC000028284034	519231486	/nfs/dbraw/zinc/23/14/86/519231486.db2.gz	RWESBPSAZFIAQO-GHMZBOCLSA-N	-1	3	373.456	1.576	40	0		FDABHM
Cn1ccnc1C(=O)N1CCC[C@H]1c1ccnc([N-]c2cnccn2)n1	ZINC000072378082	522227640	/nfs/dbraw/zinc/22/76/40/522227640.db2.gz	VSQHYTMROZMIAO-ZDUSSCGKSA-N	-1	3	350.386	1.721	40	0		FDABHM
COc1ccccc1N1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1	ZINC000019937484	524548358	/nfs/dbraw/zinc/54/83/58/524548358.db2.gz	PUNSTZBHAGWQBX-UHFFFAOYSA-N	-1	3	356.426	1.287	40	0		FDABHM
O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585095950	551568771	/nfs/dbraw/zinc/56/87/71/551568771.db2.gz	GEPDBCMZSVNTJB-QGZVFWFLSA-N	-1	3	354.410	1.845	40	0		FDABHM
O=C(c1cccc([O-])c1)N1Cc2cncn2[C@H](C(=O)N2CCCCO2)C1	ZINC000585095917	551568847	/nfs/dbraw/zinc/56/88/47/551568847.db2.gz	BIHOVBLUKHIWSW-INIZCTEOSA-N	-1	3	356.382	1.340	40	0		FDABHM
Cc1ccccc1OC[C@@]1(O)COCCN(C(=O)c2cnc(C)[n-]c2=O)C1	ZINC000585278298	551577957	/nfs/dbraw/zinc/57/79/57/551577957.db2.gz	RLHAOAAERUUYSQ-IBGZPJMESA-N	-1	3	373.409	1.082	40	0		FDABHM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1	ZINC000257212442	571150482	/nfs/dbraw/zinc/15/04/82/571150482.db2.gz	CDKVVPRFUWLWNX-MRXNPFEDSA-N	-1	3	356.426	1.766	40	0		FDABHM
O=C(CCOc1ccccc1)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257283402	571157818	/nfs/dbraw/zinc/15/78/18/571157818.db2.gz	OYDPTBDTNMAKRL-QGZVFWFLSA-N	-1	3	357.410	1.811	40	0		FDABHM
COc1ccc(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c([O-])c1	ZINC000257314094	571161106	/nfs/dbraw/zinc/16/11/06/571161106.db2.gz	UVGWCYXOBGNFFP-JFIYKMOQSA-N	-1	3	364.442	1.135	40	0		FDABHM
CCOC(=O)C(=O)[N-]c1sc(C(=O)N(CC)CC)c(C)c1C(=O)OC	ZINC000005007043	209433931	/nfs/dbraw/zinc/43/39/31/209433931.db2.gz	NUDGZTAUWGZSCB-UHFFFAOYSA-N	-1	3	370.427	1.827	40	0		FDABHM
O=C([O-])[C@H]1C[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1	ZINC000096198724	209132894	/nfs/dbraw/zinc/13/28/94/209132894.db2.gz	JTEBZJMUURZZJR-UKRRQHHQSA-N	-1	3	356.419	1.528	40	0		FDABHM
C[C@H]1CCCCN1C(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012144569	207342443	/nfs/dbraw/zinc/34/24/43/207342443.db2.gz	RPYLXCHGABYAAM-AWEZNQCLSA-N	-1	3	359.474	1.129	40	0		FDABHM
C[C@@H]1CCCCN1C(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012144568	207342733	/nfs/dbraw/zinc/34/27/33/207342733.db2.gz	RPYLXCHGABYAAM-CQSZACIVSA-N	-1	3	359.474	1.129	40	0		FDABHM
O=C1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2N1	ZINC000012147725	207343507	/nfs/dbraw/zinc/34/35/07/207343507.db2.gz	HQYWRCOCHBMBRE-UHFFFAOYSA-N	-1	3	359.363	1.313	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)c2ccccc2F)c(=O)[n-]1	ZINC000012337182	207364214	/nfs/dbraw/zinc/36/42/14/207364214.db2.gz	POUFLEWAESOHJO-LLVKDONJSA-N	-1	3	356.361	1.679	40	0		FDABHM
CCOC(=O)[C@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@@H]1c1cccc(Cl)c1	ZINC000001574777	518233428	/nfs/dbraw/zinc/23/34/28/518233428.db2.gz	WLIAOFCTAHDNDF-CMPLNLGQSA-N	-1	3	350.758	1.572	40	0		FDABHM
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1[O-]	ZINC000006958387	518394871	/nfs/dbraw/zinc/39/48/71/518394871.db2.gz	QVVMSKUNHHCVEV-BAQGIRSFSA-N	-1	3	354.160	1.655	40	0		FDABHM
COC(=O)CN1C(=O)C(=Cc2cc(Cl)c([O-])c(OC)c2)NC1=S	ZINC000008109186	518454300	/nfs/dbraw/zinc/45/43/00/518454300.db2.gz	ZQUDRSPVWZDAFK-WTKPLQERSA-N	-1	3	356.787	1.285	40	0		FDABHM
O=C(c1ccncc1)N1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1	ZINC000012367159	518607951	/nfs/dbraw/zinc/60/79/51/518607951.db2.gz	BFNBWKNQASWIOB-CQSZACIVSA-N	-1	3	355.398	1.044	40	0		FDABHM
C[C@H](NC(=O)c1cccc(F)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458390	518813024	/nfs/dbraw/zinc/81/30/24/518813024.db2.gz	OHLJAOFDISQECN-LBPRGKRZSA-N	-1	3	359.405	1.152	40	0		FDABHM
CCC(=O)N[C@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1	ZINC000019499238	518814960	/nfs/dbraw/zinc/81/49/60/518814960.db2.gz	RZCXXKOAVIBPDW-MRXNPFEDSA-N	-1	3	374.416	1.556	40	0		FDABHM
Cc1nc(N2CCN(CCO)CC2)[n-]c(=O)c1Cc1cccc(Cl)c1	ZINC000024252112	518985139	/nfs/dbraw/zinc/98/51/39/518985139.db2.gz	DRGAYFFUVPWSDJ-UHFFFAOYSA-N	-1	3	362.861	1.437	40	0		FDABHM
O=C([O-])[C@@H](Cc1c[nH]cn1)NCc1cnc(CCc2ccccc2)nc1	ZINC000218761654	537468024	/nfs/dbraw/zinc/46/80/24/537468024.db2.gz	FLQPUOJUOHEWFS-QGZVFWFLSA-N	-1	3	351.410	1.770	40	0		FDABHM
O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1ccccc1	ZINC000575402464	550460229	/nfs/dbraw/zinc/46/02/29/550460229.db2.gz	APOIJBMRFUUHJR-BHIYHBOVSA-N	-1	3	366.417	1.909	40	0		FDABHM
CC(C)n1nccc1CN1CCC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257235096	571152825	/nfs/dbraw/zinc/15/28/25/571152825.db2.gz	GWKSTQCPFIOCCO-CYBMUJFWSA-N	-1	3	351.476	1.970	40	0		FDABHM
CC(C)n1nccc1CN1CCC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257235096	571152828	/nfs/dbraw/zinc/15/28/28/571152828.db2.gz	GWKSTQCPFIOCCO-CYBMUJFWSA-N	-1	3	351.476	1.970	40	0		FDABHM
Cc1cc(C[C@H]2COCCN(C(=O)c3ccc4n[n-]nc4c3)C2)ncn1	ZINC000257266839	209981081	/nfs/dbraw/zinc/98/10/81/209981081.db2.gz	METVQFLHWWFNMN-CYBMUJFWSA-N	-1	3	352.398	1.388	40	0		FDABHM
C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NCCN2CCOCC2)n1	ZINC000019457498	220257298	/nfs/dbraw/zinc/25/72/98/220257298.db2.gz	ZENOPKKWXRSGRU-LBPRGKRZSA-N	-1	3	366.853	1.168	40	0		FDABHM
Cc1ccccc1CC(=O)N1CCC(n2nnc3c2nc(C)[n-]c3=O)CC1	ZINC000012336930	207362496	/nfs/dbraw/zinc/36/24/96/207362496.db2.gz	PSOOVPGQFNFZES-UHFFFAOYSA-N	-1	3	366.425	1.950	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)c2cc(F)cc(F)c2)c(=O)[n-]1	ZINC000012337192	207363599	/nfs/dbraw/zinc/36/35/99/207363599.db2.gz	HHZSILAVMZZAHP-CYBMUJFWSA-N	-1	3	374.351	1.818	40	0		FDABHM
Cc1ccccc1CC(=O)N[C@@H](C)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019237096	136152319	/nfs/dbraw/zinc/15/23/19/136152319.db2.gz	OQWWFNATFRYNLY-HNNXBMFYSA-N	-1	3	369.469	1.250	40	0		FDABHM
Cc1cccc(C)c1CN1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1	ZINC000019235738	136152348	/nfs/dbraw/zinc/15/23/48/136152348.db2.gz	NVOIPKRELDDGDN-UHFFFAOYSA-N	-1	3	368.481	1.824	40	0		FDABHM
CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[C@@H](C)CC	ZINC000004762972	263336607	/nfs/dbraw/zinc/33/66/07/263336607.db2.gz	BBQABUDWDUKJMB-SOAFEQHCSA-N	-1	3	357.495	1.506	40	0		FDABHM
Cn1ccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)n1	ZINC000019290872	518806741	/nfs/dbraw/zinc/80/67/41/518806741.db2.gz	FROKTSUHKGWNCA-ZDUSSCGKSA-N	-1	3	350.382	1.195	40	0		FDABHM
O=C(c1cn[nH]n1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344389	518808960	/nfs/dbraw/zinc/80/89/60/518808960.db2.gz	RHSJWKJLFLYKEB-JTQLQIEISA-N	-1	3	356.411	1.636	40	0		FDABHM
COc1cc(OC)c([C@H]2CCN(C)C[C@@H]2OC(C)=O)c([O-])c1C(C)=O	ZINC000034453316	519593459	/nfs/dbraw/zinc/59/34/59/519593459.db2.gz	IGPSCQDNVKUGLW-WFASDCNBSA-N	-1	3	351.399	1.963	40	0		FDABHM
CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[C@@H](C)CC	ZINC000039945328	519637599	/nfs/dbraw/zinc/63/75/99/519637599.db2.gz	BBQABUDWDUKJMB-VMCMIOBHSA-N	-1	3	357.495	1.506	40	0		FDABHM
O=C(c1cnccn1)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1	ZINC000072377790	522229535	/nfs/dbraw/zinc/22/95/35/522229535.db2.gz	FZYMMHCIRRDPHJ-CYBMUJFWSA-N	-1	3	362.397	1.820	40	0		FDABHM
CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100780813	525216286	/nfs/dbraw/zinc/21/62/86/525216286.db2.gz	SSBAWYYRBSCSAF-QXSJWSMHSA-N	-1	3	369.506	1.508	40	0		FDABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCCO1	ZINC000585095711	551569029	/nfs/dbraw/zinc/56/90/29/551569029.db2.gz	FATXRUPEPKATST-OAHLLOKOSA-N	-1	3	356.382	1.340	40	0		FDABHM
Cc1nc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)cc(=O)[n-]1	ZINC000257268695	571156322	/nfs/dbraw/zinc/15/63/22/571156322.db2.gz	MMURSRSHWOERTC-QGZVFWFLSA-N	-1	3	353.378	1.867	40	0		FDABHM
Cc1cc(CC[C@@H]2CN(C(=O)c3ccc4n[n-]nc4c3)CCO2)ncn1	ZINC000257314021	571160982	/nfs/dbraw/zinc/16/09/82/571160982.db2.gz	UVBDFCCXNVVJHR-OAHLLOKOSA-N	-1	3	352.398	1.530	40	0		FDABHM
O=C(CO[C@H]1CCOC2(CN(C(=O)c3cccc([O-])c3)C2)C1)N1CCCC1	ZINC000585093700	571219891	/nfs/dbraw/zinc/21/98/91/571219891.db2.gz	UCBDKAFNNFVXQJ-KRWDZBQOSA-N	-1	3	374.437	1.405	40	0		FDABHM
Cc1ccc2nc(C(=O)N3CCOC[C@@H]3c3cc(=O)[n-]c(C)n3)cn2c1	ZINC000257274973	223047348	/nfs/dbraw/zinc/04/73/48/223047348.db2.gz	NNLTVTGHMHZPJT-OAHLLOKOSA-N	-1	3	353.382	1.660	40	0		FDABHM
CCn1cc(CN2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)c(C)n1	ZINC000257307871	223060839	/nfs/dbraw/zinc/06/08/39/223060839.db2.gz	TULKJADYCCVBMO-CYBMUJFWSA-N	-1	3	351.476	1.718	40	0		FDABHM
CCn1cc(CN2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)c(C)n1	ZINC000257307871	223060842	/nfs/dbraw/zinc/06/08/42/223060842.db2.gz	TULKJADYCCVBMO-CYBMUJFWSA-N	-1	3	351.476	1.718	40	0		FDABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCn2ccnc2)cc1Cl	ZINC000022512356	211352292	/nfs/dbraw/zinc/35/22/92/211352292.db2.gz	HYZNDUULGPYYAR-UHFFFAOYSA-N	-1	3	356.835	1.728	40	0		FDABHM
CN1CCc2c(nc(C3CCN(C(=O)c4ccccn4)CC3)[n-]c2=O)C1	ZINC000019590749	211239743	/nfs/dbraw/zinc/23/97/43/211239743.db2.gz	DQPMMFFBFQRJCY-UHFFFAOYSA-N	-1	3	353.426	1.585	40	0		FDABHM
Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[n-]1	ZINC000019583530	211237593	/nfs/dbraw/zinc/23/75/93/211237593.db2.gz	LOHDJHACKAAEAO-INIZCTEOSA-N	-1	3	364.409	1.851	40	0		FDABHM
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000019496215	211224402	/nfs/dbraw/zinc/22/44/02/211224402.db2.gz	RTVJRJLMDQXMFP-GDBMZVCRSA-N	-1	3	373.501	1.423	40	0		FDABHM
COc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1	ZINC000019555663	211231352	/nfs/dbraw/zinc/23/13/52/211231352.db2.gz	SVTRZAHACQXPBR-UHFFFAOYSA-N	-1	3	354.454	1.980	40	0		FDABHM
O=C(c1cc[nH]c(=O)c1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1	ZINC000019402538	211221242	/nfs/dbraw/zinc/22/12/42/211221242.db2.gz	ZAMLLWBONCTJKH-ZDUSSCGKSA-N	-1	3	363.377	1.150	40	0		FDABHM
O=C(COc1ccccc1F)NCc1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019350247	211219686	/nfs/dbraw/zinc/21/96/86/211219686.db2.gz	YPSWKPBRAVZLLY-UHFFFAOYSA-N	-1	3	354.341	1.666	40	0		FDABHM
CC(C)(C)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCC[C@H]2C(N)=O)C1	ZINC000020462988	220328120	/nfs/dbraw/zinc/32/81/20/220328120.db2.gz	WMENMDXMKVWLFF-KKUMJFAQSA-N	-1	3	367.490	1.312	40	0	biogenic,in-vitro	FDABHM
CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(F)c(F)c1	ZINC000071980235	221393292	/nfs/dbraw/zinc/39/32/92/221393292.db2.gz	KIYDFLAFOIENGW-CQSZACIVSA-N	-1	3	354.353	1.702	40	0		FDABHM
Cc1nn(C)cc1CN1CCc2nc(N3CCC(C)CC3)[n-]c(=O)c2C1	ZINC000072347468	136144890	/nfs/dbraw/zinc/14/48/90/136144890.db2.gz	PNMYLJOBPZQGTD-UHFFFAOYSA-N	-1	3	356.474	1.606	40	0		FDABHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCn3cccc3[C@@H]2C)s1	ZINC000079045440	172157667	/nfs/dbraw/zinc/15/76/67/172157667.db2.gz	HWUQXYUXFMSVKF-NSHDSACASA-N	-1	3	368.484	1.744	40	0		FDABHM
CC(C)C[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000100775595	222252750	/nfs/dbraw/zinc/25/27/50/222252750.db2.gz	HISLPUFPHKNBQQ-XUWVNRHRSA-N	-1	3	369.506	1.508	40	0		FDABHM
Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@H]2C(=O)[O-])cc1	ZINC000107214476	222392616	/nfs/dbraw/zinc/39/26/16/222392616.db2.gz	QGONOYXHPYQUDC-HOCLYGCPSA-N	-1	3	352.456	1.697	40	0		FDABHM
CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)C(=O)NCCc2ccccc2)N1	ZINC000003905086	518281486	/nfs/dbraw/zinc/28/14/86/518281486.db2.gz	OSPUDCFSUAVQAR-OAHLLOKOSA-N	-1	3	357.332	1.595	40	0		FDABHM
CCCS(=O)(=O)[N-][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12	ZINC000004222828	518290436	/nfs/dbraw/zinc/29/04/36/518290436.db2.gz	ACVZVMNKTRMQMX-GBJTYRQASA-N	-1	3	370.427	1.099	40	0	biogenic,in-vitro	FDABHM
[NH3+][C@@H](CC(=O)[N-]C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000005685280	518351801	/nfs/dbraw/zinc/35/18/01/518351801.db2.gz	TYQCYIMUPKUWIN-INIZCTEOSA-N	-1	3	354.362	1.854	40	0		FDABHM
Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000012229462	518598104	/nfs/dbraw/zinc/59/81/04/518598104.db2.gz	VKZIBDCRSXEQPY-KGLIPLIRSA-N	-1	3	372.450	1.840	40	0		FDABHM
CCN1CCN(c2nc(CSc3nc(C)cc(C)n3)cc(=O)[n-]2)CC1	ZINC000013639770	518664879	/nfs/dbraw/zinc/66/48/79/518664879.db2.gz	RIRFKTFTXDGXHU-UHFFFAOYSA-N	-1	3	360.487	1.611	40	0		FDABHM
CC1CCN(c2nc([C@@H]3CC(=O)N(Cc4ccccn4)C3)cc(=O)[n-]2)CC1	ZINC000019497042	518812860	/nfs/dbraw/zinc/81/28/60/518812860.db2.gz	RQNBUTQGCXQWMC-OAHLLOKOSA-N	-1	3	367.453	1.917	40	0		FDABHM
Cc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000225846344	537561630	/nfs/dbraw/zinc/56/16/30/537561630.db2.gz	UASNXPWIKJGLRA-UHFFFAOYSA-N	-1	3	354.457	1.920	40	0		FDABHM
C[C@H](O)NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000584577558	551520254	/nfs/dbraw/zinc/52/02/54/551520254.db2.gz	BNHNSEYLBDSBCU-KPZWWZAWSA-N	-1	3	370.405	1.906	40	0		FDABHM
Cc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)cc1C	ZINC000222660968	568550962	/nfs/dbraw/zinc/55/09/62/568550962.db2.gz	LZFDBXJWDSEEEJ-UHFFFAOYSA-N	-1	3	357.410	1.827	40	0		FDABHM
Cc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222667614	568551741	/nfs/dbraw/zinc/55/17/41/568551741.db2.gz	BBKFNQOGZRMVLP-UHFFFAOYSA-N	-1	3	363.801	1.782	40	0		FDABHM
Cn1c2ccccc2nc1CN1CC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257220430	223024671	/nfs/dbraw/zinc/02/46/71/223024671.db2.gz	DKVBHYNPJIVUPF-LBPRGKRZSA-N	-1	3	359.455	1.689	40	0		FDABHM
Cn1c2ccccc2nc1CN1CC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257220430	223024673	/nfs/dbraw/zinc/02/46/73/223024673.db2.gz	DKVBHYNPJIVUPF-LBPRGKRZSA-N	-1	3	359.455	1.689	40	0		FDABHM
O=C(Nc1ccccc1)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21	ZINC000019961137	211263685	/nfs/dbraw/zinc/26/36/85/211263685.db2.gz	FRYYNWLOWPJLNC-LBPRGKRZSA-N	-1	3	353.382	1.435	40	0		FDABHM
Cc1nc(C[C@H](NC(=O)c2ccnn2C)c2ccc(F)cc2)cc(=O)[n-]1	ZINC000019285392	211212440	/nfs/dbraw/zinc/21/24/40/211212440.db2.gz	HCDGIFVCHCDVDB-HNNXBMFYSA-N	-1	3	355.373	1.665	40	0		FDABHM
COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([O-])c(Br)c1	ZINC000015016902	211115612	/nfs/dbraw/zinc/11/56/12/211115612.db2.gz	ARSLVQGBNFBULJ-NSHDSACASA-N	-1	3	366.175	1.603	40	0		FDABHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)Cc1ccc(Cl)cc1	ZINC000071980091	221392780	/nfs/dbraw/zinc/39/27/80/221392780.db2.gz	GXQGXLJRMMMTST-AWEZNQCLSA-N	-1	3	352.818	1.616	40	0		FDABHM
CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc(F)ccc1F	ZINC000071980237	221393069	/nfs/dbraw/zinc/39/30/69/221393069.db2.gz	XPCPOJQDHOMIHJ-CQSZACIVSA-N	-1	3	354.353	1.702	40	0		FDABHM
Cc1ccc2nc3sc(C(=O)Nc4c[nH]c(=O)[n-]c4=O)c(N)c3cc2c1	ZINC000004848753	518314303	/nfs/dbraw/zinc/31/43/03/518314303.db2.gz	YMZRWAGOMOEXMP-UHFFFAOYSA-N	-1	3	367.390	1.969	40	0		FDABHM
COC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000006002237	518360017	/nfs/dbraw/zinc/36/00/17/518360017.db2.gz	QSLZIGAHAQCYFC-ROMFNMHRSA-N	-1	3	352.431	1.053	40	0		FDABHM
Cc1cc(=O)[n-]c(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1	ZINC000012113713	518586779	/nfs/dbraw/zinc/58/67/79/518586779.db2.gz	IFGQVHVRDGULPC-UHFFFAOYSA-N	-1	3	356.382	1.524	40	0		FDABHM
Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)o1	ZINC000012367260	518608037	/nfs/dbraw/zinc/60/80/37/518608037.db2.gz	KXLHBXMUPQTWNQ-ZDUSSCGKSA-N	-1	3	373.413	1.253	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1N1C(=O)CSC1=O	ZINC000028284031	519231339	/nfs/dbraw/zinc/23/13/39/519231339.db2.gz	RWESBPSAZFIAQO-QWRGUYRKSA-N	-1	3	373.456	1.576	40	0		FDABHM
CC(C)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)c1	ZINC000257224517	528117919	/nfs/dbraw/zinc/11/79/19/528117919.db2.gz	FCDRNBJJCNLIPV-ZHALLVOQSA-N	-1	3	362.470	1.860	40	0		FDABHM
O=C([O-])[C@@H]1CN2CCN(Cc3ccco3)C[C@H]2CN(Cc2ccco2)C1	ZINC000247341232	537110938	/nfs/dbraw/zinc/11/09/38/537110938.db2.gz	ANVRRTZZSCHGDO-HOTGVXAUSA-N	-1	3	359.426	1.575	40	0		FDABHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)cc1	ZINC000223298633	537522746	/nfs/dbraw/zinc/52/27/46/537522746.db2.gz	IMQANFNWSIDHMB-UHFFFAOYSA-N	-1	3	363.395	1.310	40	0		FDABHM
Cc1cc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)no1	ZINC000257230494	223029411	/nfs/dbraw/zinc/02/94/11/223029411.db2.gz	GCOBCVFJDNUKSM-QGHHPUGFSA-N	-1	3	360.370	1.793	40	0		FDABHM
Nc1nccnc1C[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1	ZINC000257332684	223069398	/nfs/dbraw/zinc/06/93/98/223069398.db2.gz	XYGFRIRYQXKNOU-OAHLLOKOSA-N	-1	3	356.426	1.977	40	0		FDABHM
Cc1cccc(C)c1N1C(=O)C[C@@H](SC(C)(C)[C@H](N)C(=O)[O-])C1=O	ZINC000019866778	211260559	/nfs/dbraw/zinc/26/05/59/211260559.db2.gz	PGNBRVSLALBTIU-BXUZGUMPSA-N	-1	3	350.440	1.859	40	0		FDABHM
N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000016900042	211170753	/nfs/dbraw/zinc/17/07/53/211170753.db2.gz	SUYGZKLVNVTMNK-VHSXEESVSA-N	-1	3	363.222	1.770	40	0		FDABHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3c[nH]c(=O)c(Cl)c3)CC2)n1	ZINC000253537230	132294419	/nfs/dbraw/zinc/29/44/19/132294419.db2.gz	GBNANCCOHFGTET-UHFFFAOYSA-N	-1	3	363.805	1.643	40	0		FDABHM
Cc1ccc(CC(=O)N[C@@H](C)c2cc(=O)[n-]c(N3CCN(C)CC3)n2)cc1	ZINC000019209918	136152216	/nfs/dbraw/zinc/15/22/16/136152216.db2.gz	SRGFFVBFHSJJQK-HNNXBMFYSA-N	-1	3	369.469	1.250	40	0		FDABHM
CC(C)[C@H](NC(=O)C1CCCC1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019445517	263374059	/nfs/dbraw/zinc/37/40/59/263374059.db2.gz	QXYGULJHZFHOJL-KRWDZBQOSA-N	-1	3	361.490	1.525	40	0		FDABHM
CCc1cc(=O)[n-]c(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1	ZINC000012113704	518587277	/nfs/dbraw/zinc/58/72/77/518587277.db2.gz	NVFJQGJLJHLOJM-UHFFFAOYSA-N	-1	3	370.409	1.778	40	0		FDABHM
O=C(c1cccnc1)N1C[C@@H]2c3nc(N4CCCC4)[n-]c(=O)c3CC[C@@H]2C1	ZINC000012120015	518589472	/nfs/dbraw/zinc/58/94/72/518589472.db2.gz	ONIXKJSAQLZQOQ-ZBFHGGJFSA-N	-1	3	365.437	1.567	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(CN2CCCC2=O)cc1	ZINC000079284910	526554944	/nfs/dbraw/zinc/55/49/44/526554944.db2.gz	QIVDYIAFHROAFQ-UHFFFAOYSA-N	-1	3	363.439	1.892	40	0		FDABHM
C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585097518	551570028	/nfs/dbraw/zinc/57/00/28/551570028.db2.gz	KYVMABSHYLONGL-CQSZACIVSA-N	-1	3	366.421	1.747	40	0		FDABHM
CN(C)Cc1c(=O)n(-c2cccc(Cl)c2Cl)c(=O)[nH]c1C(=O)[O-]	ZINC000222668346	568551834	/nfs/dbraw/zinc/55/18/34/568551834.db2.gz	DNVWXEVMRIXLEH-UHFFFAOYSA-N	-1	3	358.181	1.592	40	0		FDABHM
N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000014651456	210232831	/nfs/dbraw/zinc/23/28/31/210232831.db2.gz	JMCOUWKXLXDERB-SJLPKXTDSA-N	-1	3	351.406	1.850	40	0	endogenous,in-man	FDABHM
O=C([O-])c1[nH]c(=O)n(-c2ccccc2Cl)c(=O)c1CN1CCCCC1	ZINC000222664124	222744373	/nfs/dbraw/zinc/74/43/73/222744373.db2.gz	YYDOWWZREVJFEQ-UHFFFAOYSA-N	-1	3	363.801	1.863	40	0		FDABHM
COc1ccccc1CN1CCc2nc(N3CCCC3)[n-]c(=O)c2CC1	ZINC000019570695	211236159	/nfs/dbraw/zinc/23/61/59/211236159.db2.gz	QFPWLJGDNRVSJD-UHFFFAOYSA-N	-1	3	354.454	1.980	40	0		FDABHM
COc1ccccc1CN1CCc2nc(-c3cnccn3)[n-]c(=O)c2CC1	ZINC000019570710	211235767	/nfs/dbraw/zinc/23/57/67/211235767.db2.gz	OLEDOWNCQSQEGI-UHFFFAOYSA-N	-1	3	363.421	1.836	40	0		FDABHM
COc1cc(CN2CCc3nc(C)[n-]c(=O)c3CC2)cc(OC)c1OC	ZINC000019286417	211210970	/nfs/dbraw/zinc/21/09/70/211210970.db2.gz	WCEIABRBOQAFHT-UHFFFAOYSA-N	-1	3	359.426	1.705	40	0		FDABHM
Cc1cccc(CC(=O)N[C@@H](C)c2cc(=O)[n-]c(N3CCN(C)CC3)n2)c1	ZINC000019234824	136152300	/nfs/dbraw/zinc/15/23/00/136152300.db2.gz	KIRHPWAYJKCXOJ-HNNXBMFYSA-N	-1	3	369.469	1.250	40	0		FDABHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCn3cccc3[C@H]2C)s1	ZINC000079045432	172157641	/nfs/dbraw/zinc/15/76/41/172157641.db2.gz	HWUQXYUXFMSVKF-LLVKDONJSA-N	-1	3	368.484	1.744	40	0		FDABHM
COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C23)cc1	ZINC000100355448	222242018	/nfs/dbraw/zinc/24/20/18/222242018.db2.gz	VBGOURWEMQKEQW-RHSMWYFYSA-N	-1	3	368.320	1.961	40	0		FDABHM
N[C@@H](CS[C@@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)[O-]	ZINC000004894777	518316775	/nfs/dbraw/zinc/31/67/75/518316775.db2.gz	JUHAVNXIAQKYKZ-WCBMZHEXSA-N	-1	3	373.228	1.226	40	0		FDABHM
COc1cccc(C(=O)NCc2cc(=O)[n-]c(N3CCC(C)CC3)n2)c1	ZINC000019497057	518812318	/nfs/dbraw/zinc/81/23/18/518812318.db2.gz	FWFNOJCNLYIMAJ-UHFFFAOYSA-N	-1	3	356.426	1.945	40	0		FDABHM
COC(=O)[C@H](C[C@H](OC)c1c([O-])cc2cc(C)oc(=O)c2c1O)OC	ZINC000031168791	519415855	/nfs/dbraw/zinc/41/58/55/519415855.db2.gz	TWSUSRQZTZUYSD-RYUDHWBXSA-N	-1	3	352.339	1.778	40	0	biogenic,in-vitro	FDABHM
CS(=O)(=O)[N-]c1cc(-c2noc([C@@H]3CCCN3C3CCC3)n2)ccn1	ZINC000035425594	519606680	/nfs/dbraw/zinc/60/66/80/519606680.db2.gz	XXOLSOGUWDUGQD-ZDUSSCGKSA-N	-1	3	363.443	2.193	40	0	biogenic,in-vitro	FDABHM
CCc1cc(=O)[n-]c(NC2CCN(S(=O)(=O)c3ccccc3)CC2)n1	ZINC000072389386	522231677	/nfs/dbraw/zinc/23/16/77/522231677.db2.gz	KABHGIIRRHKRKS-UHFFFAOYSA-N	-1	3	362.455	1.598	40	0		FDABHM
O=C(c1cccc([O-])c1)N1CC2(C1)[C@H](COCC1CC1)CCS2(=O)=O	ZINC000306125228	210048177	/nfs/dbraw/zinc/04/81/77/210048177.db2.gz	CJYAFXLCXVVSJL-HNNXBMFYSA-N	-1	3	365.451	1.448	40	0		FDABHM
O=C(c1n[nH]c2ccccc21)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257226676	223028323	/nfs/dbraw/zinc/02/83/23/223028323.db2.gz	FLQRGBZOVPALPO-ZDUSSCGKSA-N	-1	3	353.382	1.532	40	0		FDABHM
Cc1cc(F)ccc1CC(=O)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257281335	223049517	/nfs/dbraw/zinc/04/95/17/223049517.db2.gz	OORYVODEEQQJEM-CQSZACIVSA-N	-1	3	359.401	1.890	40	0		FDABHM
COC(=O)C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)CC1	ZINC000020050154	211266789	/nfs/dbraw/zinc/26/67/89/211266789.db2.gz	ANDFTLVZQLQBCE-UHFFFAOYSA-N	-1	3	374.846	1.737	40	0		FDABHM
COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)cc1OC	ZINC000019561162	211233670	/nfs/dbraw/zinc/23/36/70/211233670.db2.gz	AKKSVKPEMLVLRT-UHFFFAOYSA-N	-1	3	370.453	1.946	40	0		FDABHM
N[C@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-]	ZINC000016900043	211170231	/nfs/dbraw/zinc/17/02/31/211170231.db2.gz	SUYGZKLVNVTMNK-NXEZZACHSA-N	-1	3	363.222	1.770	40	0		FDABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100771199	222252775	/nfs/dbraw/zinc/25/27/75/222252775.db2.gz	ZVDLSJPOZVWMBQ-QMHWVQJVSA-N	-1	3	369.506	1.508	40	0		FDABHM
CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@H](C(=O)Nc3ccccc3[O-])O[C@H]2O1	ZINC000004560592	518304629	/nfs/dbraw/zinc/30/46/29/518304629.db2.gz	QYHDAPSRVVKNBC-YTBGYOSVSA-N	-1	3	365.382	1.727	40	0		FDABHM
Cc1scc(C(=O)NCc2cc(=O)[n-]c(N3CCN(C)CC3)n2)c1C	ZINC000019561965	518818376	/nfs/dbraw/zinc/81/83/76/518818376.db2.gz	JVCAQAUNCGVKCM-UHFFFAOYSA-N	-1	3	361.471	1.542	40	0		FDABHM
COc1ccccc1CN1CCc2c(nc(N3CCOCC3)[n-]c2=O)C1	ZINC000019570649	518818690	/nfs/dbraw/zinc/81/86/90/518818690.db2.gz	PRCBMJQOMBLKHY-UHFFFAOYSA-N	-1	3	356.426	1.586	40	0		FDABHM
CCc1nnc([N-]c2cc(C)nc([C@@H]3CCN(C(=O)CNC)C3)n2)s1	ZINC000072383034	522232295	/nfs/dbraw/zinc/23/22/95/522232295.db2.gz	FMGQTEHNEQGNLI-LLVKDONJSA-N	-1	3	361.475	1.478	40	0		FDABHM
O=C([C@H]1CCCO1)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1	ZINC000257301785	534627266	/nfs/dbraw/zinc/62/72/66/534627266.db2.gz	RZWVBPZAVJXJMJ-OAHLLOKOSA-N	-1	3	354.414	1.895	40	0		FDABHM
C[C@H](O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000584577560	551520436	/nfs/dbraw/zinc/52/04/36/551520436.db2.gz	BNHNSEYLBDSBCU-SGTLLEGYSA-N	-1	3	370.405	1.906	40	0		FDABHM
O=C([O-])c1[nH]c(=O)n(-c2cccc(Cl)c2)c(=O)c1CN1CCCCC1	ZINC000222664578	568551314	/nfs/dbraw/zinc/55/13/14/568551314.db2.gz	UTZKSMHQFXFREU-UHFFFAOYSA-N	-1	3	363.801	1.863	40	0		FDABHM
O=C([O-])c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(=O)c1CN1CCCCC1	ZINC000222665027	568551353	/nfs/dbraw/zinc/55/13/53/568551353.db2.gz	TWBVIOMZOWLJTD-UHFFFAOYSA-N	-1	3	363.801	1.863	40	0		FDABHM
CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccccc1[O-]	ZINC000409412300	570757985	/nfs/dbraw/zinc/75/79/85/570757985.db2.gz	GZHGCMHYYWPERP-UHFFFAOYSA-N	-1	3	361.471	1.537	40	0		FDABHM
COc1ccc(C)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCCC2)c1=O	ZINC000222674561	222745525	/nfs/dbraw/zinc/74/55/25/222745525.db2.gz	UPQFYENZXUYSEN-UHFFFAOYSA-N	-1	3	373.409	1.527	40	0		FDABHM
O=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257239004	223033842	/nfs/dbraw/zinc/03/38/42/223033842.db2.gz	HNNJYYYQRSSDDT-CYBMUJFWSA-N	-1	3	357.414	1.258	40	0		FDABHM
O=c1cc(CC[C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)nc[n-]1	ZINC000257256804	223040061	/nfs/dbraw/zinc/04/00/61/223040061.db2.gz	KMZQGAIHXLWALL-GFCCVEGCSA-N	-1	3	355.441	1.266	40	0		FDABHM
COc1cccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1	ZINC000019565479	211232818	/nfs/dbraw/zinc/23/28/18/211232818.db2.gz	SNAFLMSBQRCMHH-UHFFFAOYSA-N	-1	3	354.454	1.980	40	0		FDABHM
CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccc3n[n-]nc3c2)n1	ZINC000257263730	533046563	/nfs/dbraw/zinc/04/65/63/533046563.db2.gz	LREJDTOLYUGFNF-AWEZNQCLSA-N	-1	3	353.386	1.312	40	0		FDABHM
CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1F	ZINC000071980101	221392988	/nfs/dbraw/zinc/39/29/88/221392988.db2.gz	WYKCOZFDXNSPDE-ZDUSSCGKSA-N	-1	3	356.781	1.827	40	0		FDABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C[C@@H](C)O1	ZINC000072335494	136144505	/nfs/dbraw/zinc/14/45/05/136144505.db2.gz	MIBKVPKXJROZAF-ZIAGYGMSSA-N	-1	3	355.442	1.749	40	0		FDABHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000100781631	222253219	/nfs/dbraw/zinc/25/32/19/222253219.db2.gz	ISUQCQFSRIVKHU-QMHWVQJVSA-N	-1	3	369.506	1.508	40	0		FDABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCCO	ZINC000006214085	518365687	/nfs/dbraw/zinc/36/56/87/518365687.db2.gz	KUHZFQSCTXICQQ-UHFFFAOYSA-N	-1	3	364.423	1.365	40	0		FDABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccn1	ZINC000007099792	518402810	/nfs/dbraw/zinc/40/28/10/518402810.db2.gz	SMCKVTUGJSYXFZ-UHFFFAOYSA-N	-1	3	374.249	1.983	40	0		FDABHM
O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1cccc3nccnc13)C2	ZINC000012184545	518595143	/nfs/dbraw/zinc/59/51/43/518595143.db2.gz	ZVDRUXDQQZDTKM-UHFFFAOYSA-N	-1	3	362.437	1.872	40	0		FDABHM
O=C([C@@H]1CCOC1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000012256994	518599690	/nfs/dbraw/zinc/59/96/90/518599690.db2.gz	NNXGWFDKACTRCO-HUUCEWRRSA-N	-1	3	354.410	1.987	40	0		FDABHM
Cc1cc(C)n(C)c(=O)c1C(=O)N1CC[C@H](c2cc(=O)[n-]c(N(C)C)n2)C1	ZINC000012406499	518611395	/nfs/dbraw/zinc/61/13/95/518611395.db2.gz	LHXXEKWMZVPCQQ-ZDUSSCGKSA-N	-1	3	371.441	1.193	40	0		FDABHM
COC(=O)Cc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[n-]c1=O	ZINC000013639813	518664053	/nfs/dbraw/zinc/66/40/53/518664053.db2.gz	UYKWNWDRUHUWBN-UHFFFAOYSA-N	-1	3	356.426	1.116	40	0		FDABHM
COC(=O)[C@@H](C[C@@H](OC)c1c([O-])cc2cc(C)oc(=O)c2c1O)OC	ZINC000031168788	519414730	/nfs/dbraw/zinc/41/47/30/519414730.db2.gz	TWSUSRQZTZUYSD-VXGBXAGGSA-N	-1	3	352.339	1.778	40	0	biogenic,in-vitro	FDABHM
COC(=O)[C@H](C[C@@H](OC)c1c([O-])cc2cc(C)oc(=O)c2c1O)OC	ZINC000031168784	519415654	/nfs/dbraw/zinc/41/56/54/519415654.db2.gz	TWSUSRQZTZUYSD-NEPJUHHUSA-N	-1	3	352.339	1.778	40	0	biogenic,in-vitro	FDABHM
CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3cc(=O)[n-]c(C)n3)C2)ccn1	ZINC000257279498	519703315	/nfs/dbraw/zinc/70/33/15/519703315.db2.gz	OGXUXNWHLRGAMC-AWEZNQCLSA-N	-1	3	357.370	1.058	40	0		FDABHM
CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)c1	ZINC000225238808	537544412	/nfs/dbraw/zinc/54/44/12/537544412.db2.gz	ATLJXLLWWCTMTA-UHFFFAOYSA-N	-1	3	370.456	1.764	40	0		FDABHM
C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585097515	551570030	/nfs/dbraw/zinc/57/00/30/551570030.db2.gz	KYVMABSHYLONGL-AWEZNQCLSA-N	-1	3	366.421	1.747	40	0		FDABHM
CN(C)c1nccnc1[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)CCO1	ZINC000257203865	529816340	/nfs/dbraw/zinc/81/63/40/529816340.db2.gz	ARZILKHSUQMVIM-AWEZNQCLSA-N	-1	3	353.386	1.028	40	0		FDABHM
COCc1cccc(C(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257330994	223068739	/nfs/dbraw/zinc/06/87/39/223068739.db2.gz	XQXQWRFWCDXGBG-QGZVFWFLSA-N	-1	3	357.410	1.802	40	0		FDABHM
O=C(Nc1ccc2c(c1)OCO2)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1	ZINC000014607020	220126929	/nfs/dbraw/zinc/12/69/29/220126929.db2.gz	RTHUDRGPYQYSLI-CYBMUJFWSA-N	-1	3	352.350	1.710	40	0		FDABHM
O=C(c1cnccn1)N1CC[C@H](c2nc(-c3ccsc3)cc(=O)[n-]2)C1	ZINC000019406668	211222016	/nfs/dbraw/zinc/22/20/16/211222016.db2.gz	BLGFIKBCDGWWSZ-NSHDSACASA-N	-1	3	353.407	1.918	40	0		FDABHM
CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019498836	211225589	/nfs/dbraw/zinc/22/55/89/211225589.db2.gz	UMTQIDKGRDTNMZ-HNNXBMFYSA-N	-1	3	358.442	1.528	40	0		FDABHM
COc1cc2c(cc1CN1CCc3nc(C)[n-]c(=O)c3CC1)OCCO2	ZINC000019286427	211212584	/nfs/dbraw/zinc/21/25/84/211212584.db2.gz	YDMIMLUZYXQFSX-UHFFFAOYSA-N	-1	3	357.410	1.459	40	0		FDABHM
Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cn1	ZINC000019238893	211209806	/nfs/dbraw/zinc/20/98/06/211209806.db2.gz	DFQHXTYKXHXJRB-MRXNPFEDSA-N	-1	3	362.393	1.908	40	0		FDABHM
O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)NCc1cccs1	ZINC000019343724	211216609	/nfs/dbraw/zinc/21/66/09/211216609.db2.gz	OHJPMXNDKBVGRD-UHFFFAOYSA-N	-1	3	373.482	1.106	40	0		FDABHM
Cc1cc(C(=O)N2CCC(c3nc4c(c(=O)[n-]3)CCN(C)C4)CC2)on1	ZINC000019119747	211202279	/nfs/dbraw/zinc/20/22/79/211202279.db2.gz	PEPJCHDYXQFACI-UHFFFAOYSA-N	-1	3	357.414	1.486	40	0		FDABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000015359041	211128988	/nfs/dbraw/zinc/12/89/88/211128988.db2.gz	DCMHJZNXUKPFKD-VIFPVBQESA-N	-1	3	358.441	1.734	40	0		FDABHM
CCOC(=O)[C@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@H]1c1cccc(Cl)c1	ZINC000001574775	210359074	/nfs/dbraw/zinc/35/90/74/210359074.db2.gz	WLIAOFCTAHDNDF-JQWIXIFHSA-N	-1	3	350.758	1.572	40	0		FDABHM
Cc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)o1	ZINC000072335565	136144381	/nfs/dbraw/zinc/14/43/81/136144381.db2.gz	HBYWIKIMXTYUFC-ZIAGYGMSSA-N	-1	3	358.442	1.843	40	0		FDABHM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccc2c(c1)OCO2	ZINC000006439046	518372977	/nfs/dbraw/zinc/37/29/77/518372977.db2.gz	PWMJZNWXMPEUBS-ZDUSSCGKSA-N	-1	3	371.349	1.186	40	0		FDABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1cccnc1	ZINC000006970961	518395140	/nfs/dbraw/zinc/39/51/40/518395140.db2.gz	GVRQINXPBZONMQ-UHFFFAOYSA-N	-1	3	374.249	1.983	40	0		FDABHM
COc1cccc(OC)c1C(=O)N1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1	ZINC000012120009	518589599	/nfs/dbraw/zinc/58/95/99/518589599.db2.gz	DKXKNPDTNBRJFX-OCCSQVGLSA-N	-1	3	369.421	1.898	40	0		FDABHM
O=C(c1ccc(F)c(F)c1)N1CCc2nc(N3CCCC3)[n-]c(=O)c2C1	ZINC000012144579	518591380	/nfs/dbraw/zinc/59/13/80/518591380.db2.gz	IGHSUTRDEAYXBO-UHFFFAOYSA-N	-1	3	360.364	1.847	40	0		FDABHM
Cc1nc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)cc(=O)[n-]1	ZINC000257312927	534502003	/nfs/dbraw/zinc/50/20/03/534502003.db2.gz	UQFQLWUSEUILNX-HNNXBMFYSA-N	-1	3	357.366	1.476	40	0		FDABHM
CCCCc1nc(CN2CC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)c[nH]1	ZINC000257237479	529040263	/nfs/dbraw/zinc/04/02/63/529040263.db2.gz	HGQLWPBPTSDYBL-LBPRGKRZSA-N	-1	3	351.476	1.868	40	0		FDABHM
Cc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000224165372	537539669	/nfs/dbraw/zinc/53/96/69/537539669.db2.gz	KDBMBGIQXAEPMP-UHFFFAOYSA-N	-1	3	354.457	1.920	40	0		FDABHM
Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3cnc(C)[n-]c3=O)C2)c1	ZINC000585277511	551577392	/nfs/dbraw/zinc/57/73/92/551577392.db2.gz	VZGKILCSKKTQIF-LJQANCHMSA-N	-1	3	357.410	1.845	40	0		FDABHM
O=c1cc(CC[C@H]2CN(S(=O)(=O)c3cccs3)CCO2)nc[n-]1	ZINC000257256805	223040025	/nfs/dbraw/zinc/04/00/25/223040025.db2.gz	KMZQGAIHXLWALL-LBPRGKRZSA-N	-1	3	355.441	1.266	40	0		FDABHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000019961142	211264289	/nfs/dbraw/zinc/26/42/89/211264289.db2.gz	XSPUHPCGZCRVBG-CYBMUJFWSA-N	-1	3	367.409	1.743	40	0		FDABHM
Cc1c(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cnn1C	ZINC000019553163	211230626	/nfs/dbraw/zinc/23/06/26/211230626.db2.gz	GRAQLPOGZNZRRH-CQSZACIVSA-N	-1	3	364.409	1.504	40	0		FDABHM
CCn1ncc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c1C	ZINC000019523978	211227390	/nfs/dbraw/zinc/22/73/90/211227390.db2.gz	ALQMAJUEMBWZFC-UHFFFAOYSA-N	-1	3	364.453	1.958	40	0		FDABHM
Nc1[n-]c(=O)c(I)cc1I	ZINC000071255673	221337255	/nfs/dbraw/zinc/33/72/55/221337255.db2.gz	KXRRMNXQTKVPSM-UHFFFAOYSA-N	-1	3	361.908	1.166	40	0		FDABHM
CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc(N)nc2)C3)CC1	ZINC000072335668	136144543	/nfs/dbraw/zinc/14/45/43/136144543.db2.gz	DPCIEPNXRQZOQP-UHFFFAOYSA-N	-1	3	355.446	1.349	40	0		FDABHM
COc1cccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3C2)c1	ZINC000012329760	518603471	/nfs/dbraw/zinc/60/34/71/518603471.db2.gz	CNCWRCJDADYESX-UHFFFAOYSA-N	-1	3	356.426	1.173	40	0		FDABHM
COc1ccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1	ZINC000019555665	518816905	/nfs/dbraw/zinc/81/69/05/518816905.db2.gz	OWNRUUMOHZRUON-UHFFFAOYSA-N	-1	3	370.453	1.628	40	0		FDABHM
Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)n1	ZINC000072354367	522223353	/nfs/dbraw/zinc/22/33/53/522223353.db2.gz	JBLBWPLRWMSDJG-HNNXBMFYSA-N	-1	3	369.473	1.895	40	0		FDABHM
O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2cncn21	ZINC000585095947	551568880	/nfs/dbraw/zinc/56/88/80/551568880.db2.gz	GEPDBCMZSVNTJB-KRWDZBQOSA-N	-1	3	354.410	1.845	40	0		FDABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCO	ZINC000409391748	570755922	/nfs/dbraw/zinc/75/59/22/570755922.db2.gz	OJQWLELQCHYTCR-UHFFFAOYSA-N	-1	3	368.386	1.114	40	0		FDABHM
COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000257274476	571156934	/nfs/dbraw/zinc/15/69/34/571156934.db2.gz	NLEOLQONPMAKGX-KRWDZBQOSA-N	-1	3	357.410	1.950	40	0		FDABHM
Cc1cnn(CC(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1	ZINC000019239893	220242701	/nfs/dbraw/zinc/24/27/01/220242701.db2.gz	VALVSZQVODDBEA-HNNXBMFYSA-N	-1	3	364.409	1.353	40	0		FDABHM
O=C(Cn1cncn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344340	220251888	/nfs/dbraw/zinc/25/18/88/220251888.db2.gz	ZPKLVCCITVAXRE-GFCCVEGCSA-N	-1	3	370.438	1.496	40	0		FDABHM
COc1ccccc1Cn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](C)C3	ZINC000019818762	220298517	/nfs/dbraw/zinc/29/85/17/220298517.db2.gz	LNRGLYCFTLEIHB-LLVKDONJSA-N	-1	3	365.389	1.907	40	0		FDABHM
COc1ccccc1Cn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)CCC3	ZINC000019818739	220299431	/nfs/dbraw/zinc/29/94/31/220299431.db2.gz	NMWIZUKOOGPVLV-UHFFFAOYSA-N	-1	3	351.362	1.661	40	0		FDABHM
COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccco1)C3	ZINC000019962256	220308804	/nfs/dbraw/zinc/30/88/04/220308804.db2.gz	OBZPYRYKKVKTFG-NSHDSACASA-N	-1	3	369.377	1.627	40	0		FDABHM
Cn1cc(CN2CCC[C@]3(C(=O)[O-])CN(c4ncccn4)C[C@@H]3C2)cn1	ZINC000096185226	222071415	/nfs/dbraw/zinc/07/14/15/222071415.db2.gz	KCBBVYTYMNUDCH-YJBOKZPZSA-N	-1	3	356.430	1.013	40	0		FDABHM
CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000100778872	222252695	/nfs/dbraw/zinc/25/26/95/222252695.db2.gz	TUWPUOCSWFVTOY-LXTVHRRPSA-N	-1	3	355.479	1.118	40	0		FDABHM
Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C[C@H]2C(=O)[O-])c1	ZINC000107214467	222392972	/nfs/dbraw/zinc/39/29/72/222392972.db2.gz	BNLPBKHPBIITBM-HOCLYGCPSA-N	-1	3	352.456	1.697	40	0		FDABHM
Cc1cc(C)n2ncc(CN3CCOC[C@@H]3c3cc(=O)[n-]c(C)n3)c2n1	ZINC000257328451	534129785	/nfs/dbraw/zinc/12/97/85/534129785.db2.gz	XFRJDCBPSPWEFR-MRXNPFEDSA-N	-1	3	354.414	1.724	40	0		FDABHM
COc1ccccc1OCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000011656012	518566619	/nfs/dbraw/zinc/56/66/19/518566619.db2.gz	VXNRPXOVTGKILR-UHFFFAOYSA-N	-1	3	364.423	1.876	40	0		FDABHM
Cc1ccnn1CCC(=O)NC1CCN(c2nc(C)c(C)c(=O)[n-]2)CC1	ZINC000012146191	518593184	/nfs/dbraw/zinc/59/31/84/518593184.db2.gz	NRQILWBJRZMRSF-UHFFFAOYSA-N	-1	3	358.446	1.067	40	0		FDABHM
COCCN1CCN(c2nc(CCc3c(C)n[nH]c3C)cc(=O)[n-]2)CC1	ZINC000019578999	518819276	/nfs/dbraw/zinc/81/92/76/518819276.db2.gz	LWCWOVMKONXZDR-UHFFFAOYSA-N	-1	3	360.462	1.076	40	0		FDABHM
COCCN1CCN(c2nc(Cc3ccc(OC)cc3)cc(=O)[n-]2)CC1	ZINC000019593435	518820628	/nfs/dbraw/zinc/82/06/28/518820628.db2.gz	DMGXWSIIDBNIKB-UHFFFAOYSA-N	-1	3	358.442	1.550	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)c2c(F)cccc2F)c(=O)[n-]1	ZINC000072324953	522214957	/nfs/dbraw/zinc/21/49/57/522214957.db2.gz	ZFNLGGRTXAMQBW-SNVBAGLBSA-N	-1	3	374.351	1.818	40	0		FDABHM
Nc1nc2c(c(N)n1)CC1(CCN(Cc3ccccc3C(=O)[O-])CC1)O2	ZINC000257253027	534747517	/nfs/dbraw/zinc/74/75/17/534747517.db2.gz	JXHQMFYGLKMXES-UHFFFAOYSA-N	-1	3	355.398	1.309	40	0		FDABHM
Cn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccccn3)cc2oc1=O	ZINC000223341942	537524489	/nfs/dbraw/zinc/52/44/89/537524489.db2.gz	ZANCHOMJFFVHOX-UHFFFAOYSA-N	-1	3	353.787	1.658	40	0		FDABHM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1[O-]	ZINC000408548894	537849059	/nfs/dbraw/zinc/84/90/59/537849059.db2.gz	MZFADBGAWFUODA-BJMVGYQFSA-N	-1	3	354.746	1.510	40	0		FDABHM
O=C(NC[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1ccno1	ZINC000575406531	550460843	/nfs/dbraw/zinc/46/08/43/550460843.db2.gz	YJCZUSRKOQHTOD-ZDUSSCGKSA-N	-1	3	371.393	1.431	40	0		FDABHM
Cc1cc(C)nc([N-]c2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)n1	ZINC000585177440	551575905	/nfs/dbraw/zinc/57/59/05/551575905.db2.gz	FIWDYHYOLGIGES-HNNXBMFYSA-N	-1	3	369.473	1.895	40	0		FDABHM
Cc1cc(C(=O)N2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)[n-]c(=O)n1	ZINC000585288295	551579974	/nfs/dbraw/zinc/57/99/74/551579974.db2.gz	UKRYXLKSIPUEHU-ZSZQSSIHSA-N	-1	3	355.394	1.250	40	0		FDABHM
O=C(Nc1ccc2nn[nH]c(=O)c2c1)c1c[n-]c2c(F)cccc2c1=O	ZINC000604418832	553876211	/nfs/dbraw/zinc/87/62/11/553876211.db2.gz	JOYUXLVLYFAGDI-UHFFFAOYSA-N	-1	3	351.297	1.963	40	0		FDABHM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1	ZINC000223276769	568633424	/nfs/dbraw/zinc/63/34/24/568633424.db2.gz	FBLGXNWVMCPNMN-UHFFFAOYSA-N	-1	3	356.350	1.890	40	0		FDABHM
CCOc1ccccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222672151	222745243	/nfs/dbraw/zinc/74/52/43/222745243.db2.gz	RIBCBRKUJDAOSN-UHFFFAOYSA-N	-1	3	359.382	1.219	40	0		FDABHM
Cn1c2ccccc2nc1CN1CC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257220429	223025120	/nfs/dbraw/zinc/02/51/20/223025120.db2.gz	DKVBHYNPJIVUPF-GFCCVEGCSA-N	-1	3	359.455	1.689	40	0		FDABHM
Cn1c2ccccc2nc1CN1CC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257220429	223025124	/nfs/dbraw/zinc/02/51/24/223025124.db2.gz	DKVBHYNPJIVUPF-GFCCVEGCSA-N	-1	3	359.455	1.689	40	0		FDABHM
Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cc(=O)[n-]c(C)n3)C2)n1	ZINC000257296838	223055278	/nfs/dbraw/zinc/05/52/78/223055278.db2.gz	REOFFCGLXKARKR-MRXNPFEDSA-N	-1	3	359.430	1.684	40	0		FDABHM
COc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)cc1	ZINC000019286502	220246949	/nfs/dbraw/zinc/24/69/49/220246949.db2.gz	HAXJYDOZNARWBI-CYBMUJFWSA-N	-1	3	368.397	1.136	40	0		FDABHM
CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1	ZINC000019501107	220263769	/nfs/dbraw/zinc/26/37/69/220263769.db2.gz	VIMDVPRDSAKRKZ-ZDUSSCGKSA-N	-1	3	358.442	1.181	40	0		FDABHM
CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1	ZINC000019501106	220264471	/nfs/dbraw/zinc/26/44/71/220264471.db2.gz	VIMDVPRDSAKRKZ-CYBMUJFWSA-N	-1	3	358.442	1.181	40	0		FDABHM
CCOC(=O)[C@@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@H]1c1cccc(Cl)c1	ZINC000001574776	518233383	/nfs/dbraw/zinc/23/33/83/518233383.db2.gz	WLIAOFCTAHDNDF-PWSUYJOCSA-N	-1	3	350.758	1.572	40	0		FDABHM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccncc1	ZINC000006969804	518394812	/nfs/dbraw/zinc/39/48/12/518394812.db2.gz	QTFIPWLPELSDGJ-UHFFFAOYSA-N	-1	3	374.249	1.983	40	0		FDABHM
Cc1nc2c(nnn2C[C@@H]2CCCN(C(=O)c3cccs3)C2)c(=O)[n-]1	ZINC000012337294	518606518	/nfs/dbraw/zinc/60/65/18/518606518.db2.gz	LDYMVACRWNGRFJ-LLVKDONJSA-N	-1	3	358.427	1.849	40	0		FDABHM
Cc1nc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)[n-]c(=O)c1C	ZINC000072389381	522232624	/nfs/dbraw/zinc/23/26/24/522232624.db2.gz	YKUYPLOFSNDYCJ-UHFFFAOYSA-N	-1	3	362.455	1.652	40	0		FDABHM
O=C([O-])[C@H](Cc1c[nH]cn1)NCc1cnc(NCc2ccccc2)nc1	ZINC000218761073	537466471	/nfs/dbraw/zinc/46/64/71/537466471.db2.gz	SJQURSZAILLOTF-INIZCTEOSA-N	-1	3	352.398	1.597	40	0		FDABHM
Cn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccncc3)cc2oc1=O	ZINC000223342104	537525046	/nfs/dbraw/zinc/52/50/46/537525046.db2.gz	ORLZOEPUPDUANK-UHFFFAOYSA-N	-1	3	353.787	1.658	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC[C@@H]1c1nccnc1[N-]c1ncccn1	ZINC000585291406	551580401	/nfs/dbraw/zinc/58/04/01/551580401.db2.gz	CHMFEZJXKNCDLR-BTKRWWFXSA-N	-1	3	353.430	1.792	40	0		FDABHM
O=C(c1cnccn1)N1CC[C@@H](c2nc(-c3ccsc3)cc(=O)[n-]2)C1	ZINC000019406665	220256299	/nfs/dbraw/zinc/25/62/99/220256299.db2.gz	BLGFIKBCDGWWSZ-LLVKDONJSA-N	-1	3	353.407	1.918	40	0		FDABHM
O=C([O-])[C@H]1CN2CCN(Cc3ccco3)C[C@@H]2CN(Cc2ccco2)C1	ZINC000107201058	222392233	/nfs/dbraw/zinc/39/22/33/222392233.db2.gz	ANVRRTZZSCHGDO-HZPDHXFCSA-N	-1	3	359.426	1.575	40	0		FDABHM
CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)Nc1ccccc1[O-])[C@H]1OC(C)(C)O[C@H]21	ZINC000004560595	518305464	/nfs/dbraw/zinc/30/54/64/518305464.db2.gz	QYHDAPSRVVKNBC-JAAXMTQOSA-N	-1	3	365.382	1.727	40	0		FDABHM
Cc1nn2c(nnc2SCC(=O)Nc2cccc(Cl)c2C)[n-]c1=O	ZINC000005144043	518333344	/nfs/dbraw/zinc/33/33/44/518333344.db2.gz	YYBZNEISJASVGW-UHFFFAOYSA-N	-1	3	364.818	1.814	40	0		FDABHM
CN1CCN(C(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000008091743	518453336	/nfs/dbraw/zinc/45/33/36/518453336.db2.gz	XOSJFCOAPSPFFI-UHFFFAOYSA-N	-1	3	366.270	1.046	40	0		FDABHM
COCCCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000008103725	518454959	/nfs/dbraw/zinc/45/49/59/518454959.db2.gz	BSOWWXGLKZWDJT-UHFFFAOYSA-N	-1	3	355.243	1.424	40	0		FDABHM
Cc1nc2c(nnn2C[C@@H]2CCCN(C(=O)Cc3cccs3)C2)c(=O)[n-]1	ZINC000012085033	518586054	/nfs/dbraw/zinc/58/60/54/518586054.db2.gz	VRGVBUGQYZCGKI-GFCCVEGCSA-N	-1	3	372.454	1.778	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)c3ccccc3F)C2)c(=O)[n-]1	ZINC000012337284	518605369	/nfs/dbraw/zinc/60/53/69/518605369.db2.gz	IDDWBTVEFDBVCR-LBPRGKRZSA-N	-1	3	370.388	1.927	40	0		FDABHM
Cc1cc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cs1	ZINC000019572079	518817911	/nfs/dbraw/zinc/81/79/11/518817911.db2.gz	QIURMMIDBPIUJJ-UHFFFAOYSA-N	-1	3	360.483	1.990	40	0		FDABHM
Cc1nn(C)cc1CCC(=O)N1CCO[C@@H](CCc2cc(=O)[n-]cn2)C1	ZINC000257258379	534832895	/nfs/dbraw/zinc/83/28/95/534832895.db2.gz	KTPMVRGYZRKGCN-INIZCTEOSA-N	-1	3	359.430	1.017	40	0		FDABHM
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1cscn1	ZINC000575405463	550460855	/nfs/dbraw/zinc/46/08/55/550460855.db2.gz	STMPFSPKMGXGIE-JGGQBBKZSA-N	-1	3	373.434	1.366	40	0		FDABHM
CN(C)C/C=C/C(=O)N1CCC[C@@H]1c1nccnc1[N-]c1nccs1	ZINC000585293163	551580202	/nfs/dbraw/zinc/58/02/02/551580202.db2.gz	YNLZUWJGCZQPQN-DIECRNLCSA-N	-1	3	358.471	2.458	40	0		FDABHM
O=C(c1n[nH]c2c1CCCC2)N1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257207273	223018364	/nfs/dbraw/zinc/01/83/64/223018364.db2.gz	BHAYIHRYVWONJG-GFCCVEGCSA-N	-1	3	357.414	1.115	40	0		FDABHM
O=C(C1CC1)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)C4CCC4)C3)nc2C1	ZINC000019014453	220233724	/nfs/dbraw/zinc/23/37/24/220233724.db2.gz	JQSWKTQPKYKOMB-CQSZACIVSA-N	-1	3	370.453	1.593	40	0		FDABHM
O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1	ZINC000019402535	220254569	/nfs/dbraw/zinc/25/45/69/220254569.db2.gz	ZAMLLWBONCTJKH-CYBMUJFWSA-N	-1	3	363.377	1.150	40	0		FDABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CCn2nc(C)c(C)c2C)s1	ZINC000019557302	220271709	/nfs/dbraw/zinc/27/17/09/220271709.db2.gz	GJZNDSAYFDDNLA-UHFFFAOYSA-N	-1	3	357.461	1.202	40	0		FDABHM
COc1ccc(Cl)cc1C(=O)NCc1cc(=O)[n-]c(N2CCCC2)n1	ZINC000019559113	220271788	/nfs/dbraw/zinc/27/17/88/220271788.db2.gz	ZQAVDFWIICRQED-UHFFFAOYSA-N	-1	3	362.817	1.962	40	0		FDABHM
CN(C)CCN(C)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[n-]1	ZINC000019582503	220276786	/nfs/dbraw/zinc/27/67/86/220276786.db2.gz	LFBPLZGKBXCTEM-CYBMUJFWSA-N	-1	3	373.432	1.840	40	0		FDABHM
C[C@H](c1cc(=O)[n-]c(N(C)CCN(C)C)n1)n1ncc2ccccc2c1=O	ZINC000019717538	220290137	/nfs/dbraw/zinc/29/01/37/220290137.db2.gz	LZCTWXWKPZKCDB-CYBMUJFWSA-N	-1	3	368.441	1.499	40	0		FDABHM
Cc1ccc(CC(=O)N[C@H](C)c2cc(=O)[n-]c(N3CCN(C)CC3)n2)cc1	ZINC000019209915	136152255	/nfs/dbraw/zinc/15/22/55/136152255.db2.gz	SRGFFVBFHSJJQK-OAHLLOKOSA-N	-1	3	369.469	1.250	40	0		FDABHM
CN(Cc1cccnc1)[C@@H]1CCN(C(=O)c2cccn2C)[C@@H](C(=O)[O-])C1	ZINC000096198754	222073709	/nfs/dbraw/zinc/07/37/09/222073709.db2.gz	YCWCCJBFWWJMDM-NVXWUHKLSA-N	-1	3	356.426	1.610	40	0		FDABHM
CCCn1nnc(NC(=S)[N-]C(=O)COc2ccccc2Cl)n1	ZINC000006593870	518377903	/nfs/dbraw/zinc/37/79/03/518377903.db2.gz	FVDHNWHRLAXWTD-UHFFFAOYSA-N	-1	3	354.823	1.629	40	0		FDABHM
COCCNS(=O)(=O)c1cc(C(=O)[N-]c2cc(C)on2)sc1C	ZINC000006680207	518381406	/nfs/dbraw/zinc/38/14/06/518381406.db2.gz	BIFNDVKYQOOAOD-UHFFFAOYSA-N	-1	3	359.429	1.530	40	0		FDABHM
Cc1nc2c(nnn2C[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(=O)[n-]1	ZINC000012085010	518585945	/nfs/dbraw/zinc/58/59/45/518585945.db2.gz	WILLTUGVMWGTDX-GFCCVEGCSA-N	-1	3	370.388	1.927	40	0		FDABHM
COc1cccc(C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[n-]c3=O)c1	ZINC000012337175	518605299	/nfs/dbraw/zinc/60/52/99/518605299.db2.gz	LTQLBSBPDMKBJY-CYBMUJFWSA-N	-1	3	368.397	1.549	40	0		FDABHM
Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(=O)[n-]1	ZINC000012337283	518605677	/nfs/dbraw/zinc/60/56/77/518605677.db2.gz	WILLTUGVMWGTDX-LBPRGKRZSA-N	-1	3	370.388	1.927	40	0		FDABHM
Cc1nc2ccccn2c1CNCc1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000019555035	518816058	/nfs/dbraw/zinc/81/60/58/518816058.db2.gz	CPXQZKQPBYEPGS-UHFFFAOYSA-N	-1	3	354.414	1.265	40	0		FDABHM
N[C@@H](CS[C@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)[O-]	ZINC000019765773	518836018	/nfs/dbraw/zinc/83/60/18/518836018.db2.gz	JUHAVNXIAQKYKZ-WPRPVWTQSA-N	-1	3	373.228	1.226	40	0		FDABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCO	ZINC000033871289	519591821	/nfs/dbraw/zinc/59/18/21/519591821.db2.gz	YCQKUZFELZQRIU-QMMMGPOBSA-N	-1	3	355.243	1.159	40	0		FDABHM
NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21	ZINC000040399510	519643403	/nfs/dbraw/zinc/64/34/03/519643403.db2.gz	KSXXHIITCHMBCG-MRVPVSSYSA-N	-1	3	368.180	1.731	40	0		FDABHM
Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccnc([N-]c2cnccn2)n1	ZINC000072378081	522229364	/nfs/dbraw/zinc/22/93/64/522229364.db2.gz	VSQHYTMROZMIAO-CYBMUJFWSA-N	-1	3	350.386	1.721	40	0		FDABHM
CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000222668592	537511230	/nfs/dbraw/zinc/51/12/30/537511230.db2.gz	NGTAGGIXQBQVAG-UHFFFAOYSA-N	-1	3	356.429	1.374	40	0		FDABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCOCC1	ZINC000585095382	551568247	/nfs/dbraw/zinc/56/82/47/551568247.db2.gz	TZAUYUVJRXOQSB-MRXNPFEDSA-N	-1	3	370.409	1.035	40	0		FDABHM
COC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000408592309	570573139	/nfs/dbraw/zinc/57/31/39/570573139.db2.gz	LACFTFGEZZQLLS-RKDXNWHRSA-N	-1	3	369.270	1.811	40	0		FDABHM
Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ccc2n[n-]nc2c1	ZINC000257273640	223046675	/nfs/dbraw/zinc/04/66/75/223046675.db2.gz	NHNMPRYDMQCXEL-AWEZNQCLSA-N	-1	3	352.398	1.530	40	0		FDABHM
O=c1cc(C[C@H]2COCCN(S(=O)(=O)C3CCCCC3)C2)nc[n-]1	ZINC000257325391	223067050	/nfs/dbraw/zinc/06/70/50/223067050.db2.gz	WSTHVZWQJFKZFS-CYBMUJFWSA-N	-1	3	355.460	1.336	40	0		FDABHM
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)[N-]C3=NC(=C(C)C)NN32)cc1	ZINC000014607174	220127401	/nfs/dbraw/zinc/12/74/01/220127401.db2.gz	PEEQENIUBWLOPK-ZDUSSCGKSA-N	-1	3	371.397	1.118	40	0		FDABHM
N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)C(=O)[O-]	ZINC000016900002	220195832	/nfs/dbraw/zinc/19/58/32/220195832.db2.gz	WEKRWNXUMVTXMR-IONNQARKSA-N	-1	3	363.222	1.770	40	0		FDABHM
C[C@@H](c1cc(=O)[n-]c(N(C)CCN(C)C)n1)n1ncc2ccccc2c1=O	ZINC000019717537	220290235	/nfs/dbraw/zinc/29/02/35/220290235.db2.gz	LZCTWXWKPZKCDB-ZDUSSCGKSA-N	-1	3	368.441	1.499	40	0		FDABHM
CCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)Cc1ccc(OC)cc1	ZINC000071980164	221393251	/nfs/dbraw/zinc/39/32/51/221393251.db2.gz	DARHZPNVXLAUGG-MRXNPFEDSA-N	-1	3	362.426	1.362	40	0		FDABHM
Cc1nc(NC2CCN(CC(=O)NC3CCCCC3)CC2)[n-]c(=O)c1C	ZINC000012113676	518587743	/nfs/dbraw/zinc/58/77/43/518587743.db2.gz	VJGYZBBBFMMQAQ-UHFFFAOYSA-N	-1	3	361.490	1.712	40	0		FDABHM
COC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408625729	570592027	/nfs/dbraw/zinc/59/20/27/570592027.db2.gz	UBSGAIFLZZBIIJ-NXEZZACHSA-N	-1	3	364.851	1.167	40	0		FDABHM
CCc1nccn1CCC(=O)N1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1	ZINC000257310104	529759934	/nfs/dbraw/zinc/75/99/34/529759934.db2.gz	UDRUYDAHSCIFOR-AWEZNQCLSA-N	-1	3	359.430	1.049	40	0		FDABHM
CN(C)c1nccnc1[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)CCO1	ZINC000257203866	529816250	/nfs/dbraw/zinc/81/62/50/529816250.db2.gz	ARZILKHSUQMVIM-CQSZACIVSA-N	-1	3	353.386	1.028	40	0		FDABHM
CN(C)c1ncccc1CN1CCc2nc(N3CCCC3)[n-]c(=O)c2CC1	ZINC000019584142	220275417	/nfs/dbraw/zinc/27/54/17/220275417.db2.gz	VOIYVGOKFSXFCA-UHFFFAOYSA-N	-1	3	368.485	1.844	40	0		FDABHM
CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc(F)cc(F)c1	ZINC000071980230	221393064	/nfs/dbraw/zinc/39/30/64/221393064.db2.gz	QHNZEKQYNQUFFL-AWEZNQCLSA-N	-1	3	354.353	1.702	40	0		FDABHM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(Cl)c1	ZINC000005895158	518358277	/nfs/dbraw/zinc/35/82/77/518358277.db2.gz	FHRIXOZKNZJWMY-UHFFFAOYSA-N	-1	3	364.807	1.927	40	0		FDABHM
COCCN(C)S(=O)(=O)c1csc(C(=O)[N-]c2cc(C)on2)c1	ZINC000006681444	518383715	/nfs/dbraw/zinc/38/37/15/518383715.db2.gz	NIPQARBCQNTDHD-UHFFFAOYSA-N	-1	3	359.429	1.564	40	0		FDABHM
COC(=O)CN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)N(C)C1=S	ZINC000008091401	518453102	/nfs/dbraw/zinc/45/31/02/518453102.db2.gz	RXIHZFDIKBIIMF-YHYXMXQVSA-N	-1	3	370.814	1.627	40	0		FDABHM
O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1ccc3nccnc3c1)C2	ZINC000012184558	518595116	/nfs/dbraw/zinc/59/51/16/518595116.db2.gz	GOZPIDQPNWMYRC-UHFFFAOYSA-N	-1	3	362.437	1.872	40	0		FDABHM
CCS(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000035686176	519611274	/nfs/dbraw/zinc/61/12/74/519611274.db2.gz	RYMDLAFXVPWSPM-UHFFFAOYSA-N	-1	3	368.864	1.123	40	0		FDABHM
COCC(=O)N1CCC[C@@H](c2cncc([N-]c3nc(C)cc(C)n3)n2)C1	ZINC000072354344	522223603	/nfs/dbraw/zinc/22/36/03/522223603.db2.gz	ZKVDUAWJSFNBCA-CQSZACIVSA-N	-1	3	356.430	1.979	40	0		FDABHM
CC(C)(C)c1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1	ZINC000257249088	526783374	/nfs/dbraw/zinc/78/33/74/526783374.db2.gz	JGUATHSCHFRFBU-JFIYKMOQSA-N	-1	3	362.470	1.644	40	0		FDABHM
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12)c1ccncc1	ZINC000575406390	550460809	/nfs/dbraw/zinc/46/08/09/550460809.db2.gz	OHLSSZJTHHVTJA-CGTJXYLNSA-N	-1	3	367.405	1.304	40	0		FDABHM
COc1ccc(C)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCCC2)c1=O	ZINC000222674468	222745212	/nfs/dbraw/zinc/74/52/12/222745212.db2.gz	FBTNOAQCTCXUIL-UHFFFAOYSA-N	-1	3	359.382	1.137	40	0		FDABHM
O=c1cc(CC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc[n-]1	ZINC000257304376	223058788	/nfs/dbraw/zinc/05/87/88/223058788.db2.gz	SLISKHBWUMKXKZ-MRXNPFEDSA-N	-1	3	357.410	1.787	40	0		FDABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1ccc3c(c1)C[C@@H](C)O3)CC2	ZINC000019286400	220246396	/nfs/dbraw/zinc/24/63/96/220246396.db2.gz	GXBDPAOWVDRECN-GFCCVEGCSA-N	-1	3	353.422	1.572	40	0		FDABHM
CCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc(F)ccc1F	ZINC000071980236	221392907	/nfs/dbraw/zinc/39/29/07/221392907.db2.gz	XPCPOJQDHOMIHJ-AWEZNQCLSA-N	-1	3	354.353	1.702	40	0		FDABHM
CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1OC	ZINC000071980356	221394270	/nfs/dbraw/zinc/39/42/70/221394270.db2.gz	DNSXDYIHVUXYNW-OAHLLOKOSA-N	-1	3	362.426	1.823	40	0		FDABHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccccn2)C3)C[C@H](C)O1	ZINC000072335490	136144408	/nfs/dbraw/zinc/14/44/08/136144408.db2.gz	OTUHZFMKSHJMSQ-KBPBESRZSA-N	-1	3	355.442	1.749	40	0		FDABHM
CN(C)c1nc(NC([O-])=NC(=O)c2c(F)cccc2F)nc(N(C)C)n1	ZINC000001869747	518236468	/nfs/dbraw/zinc/23/64/68/518236468.db2.gz	ADNSNBWGONLUBY-UHFFFAOYSA-N	-1	3	365.344	1.244	40	0		FDABHM
CN(C)c1nc(NC(=O)[N-]C(=O)c2c(F)cccc2F)nc(N(C)C)n1	ZINC000001869747	518236474	/nfs/dbraw/zinc/23/64/74/518236474.db2.gz	ADNSNBWGONLUBY-UHFFFAOYSA-N	-1	3	365.344	1.244	40	0		FDABHM
COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000005853193	518356804	/nfs/dbraw/zinc/35/68/04/518356804.db2.gz	XJCSNIFKGXSDGN-UHFFFAOYSA-N	-1	3	361.373	1.592	40	0	in-vitro	FDABHM
CCOC(=O)C(c1nc([O-])cs1)=C1NN=C(c2ccc(OC)cc2)O1	ZINC000006463226	518372776	/nfs/dbraw/zinc/37/27/76/518372776.db2.gz	MSVYTASAHMIOLV-WYMLVPIESA-N	-1	3	361.379	1.423	40	0		FDABHM
CN(C(=O)CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)C1CCCCC1	ZINC000012144566	518591465	/nfs/dbraw/zinc/59/14/65/518591465.db2.gz	PUHFFBHYZYHVKC-UHFFFAOYSA-N	-1	3	373.501	1.519	40	0		FDABHM
CCc1cc(C(=O)N2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)no1	ZINC000012367283	518607730	/nfs/dbraw/zinc/60/77/30/518607730.db2.gz	SFVUJDVXFQWORJ-GFCCVEGCSA-N	-1	3	373.413	1.199	40	0		FDABHM
CCc1nc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)no1	ZINC000019523188	518815071	/nfs/dbraw/zinc/81/50/71/518815071.db2.gz	YSUYKCMHRSJACY-UHFFFAOYSA-N	-1	3	364.427	1.410	40	0		FDABHM
N[C@H](CS[C@H]1CC(=O)N(c2ccccc2Br)C1=O)C(=O)[O-]	ZINC000019765775	518836114	/nfs/dbraw/zinc/83/61/14/518836114.db2.gz	JUHAVNXIAQKYKZ-SCZZXKLOSA-N	-1	3	373.228	1.226	40	0		FDABHM
O=c1[n-]c(N2CCCC2)nc2c1CN(Cc1cccc3nccnc13)CC2	ZINC000072347465	522223198	/nfs/dbraw/zinc/22/31/98/522223198.db2.gz	AKKQJZOPRGZEGU-UHFFFAOYSA-N	-1	3	362.437	1.872	40	0		FDABHM
CCOc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCCCC3)c2=O)cc1	ZINC000222672733	537511670	/nfs/dbraw/zinc/51/16/70/537511670.db2.gz	OANQPMJMLXVEHO-UHFFFAOYSA-N	-1	3	373.409	1.609	40	0		FDABHM
O=C(NC[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1)c1ccno1	ZINC000575406530	550460795	/nfs/dbraw/zinc/46/07/95/550460795.db2.gz	YJCZUSRKOQHTOD-CYBMUJFWSA-N	-1	3	371.393	1.431	40	0		FDABHM
Cc1cc(C)nc([N-]c2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)n1	ZINC000585177441	551575727	/nfs/dbraw/zinc/57/57/27/551575727.db2.gz	FIWDYHYOLGIGES-OAHLLOKOSA-N	-1	3	369.473	1.895	40	0		FDABHM
O=C(CCn1cccn1)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1	ZINC000019402532	220256335	/nfs/dbraw/zinc/25/63/35/220256335.db2.gz	VTDGOQITIBWPKA-AWEZNQCLSA-N	-1	3	364.409	1.435	40	0		FDABHM
CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[n-]c1=O	ZINC000019521592	220266715	/nfs/dbraw/zinc/26/67/15/220266715.db2.gz	PVAZQIGVUCNNHZ-INIZCTEOSA-N	-1	3	368.437	1.795	40	0		FDABHM
Cc1nc(C)c(CC(=O)NCc2cc(=O)[n-]c(-c3ccncc3)n2)s1	ZINC000019560529	220271545	/nfs/dbraw/zinc/27/15/45/220271545.db2.gz	TZHMGCYUHSCLTL-UHFFFAOYSA-N	-1	3	355.423	1.764	40	0		FDABHM
CS(=O)(=O)N1C[C@@H]2CN(Cc3ccsc3)CCC[C@]2(C(=O)[O-])C1	ZINC000096185196	222070748	/nfs/dbraw/zinc/07/07/48/222070748.db2.gz	KSJFKLFHTHFRAN-ZFWWWQNUSA-N	-1	3	358.485	1.306	40	0		FDABHM
O=C(c1ccccn1)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1	ZINC000100745126	222251557	/nfs/dbraw/zinc/25/15/57/222251557.db2.gz	FAKPHSFTAZQVLI-LBPRGKRZSA-N	-1	3	363.377	1.975	40	0		FDABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000100779272	222253256	/nfs/dbraw/zinc/25/32/56/222253256.db2.gz	ZVDLSJPOZVWMBQ-ARKGTOAJSA-N	-1	3	369.506	1.508	40	0		FDABHM
O=C([O-])[C@@H]1C[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(F)c1	ZINC000107214480	222391592	/nfs/dbraw/zinc/39/15/92/222391592.db2.gz	JTEBZJMUURZZJR-HIFRSBDPSA-N	-1	3	356.419	1.528	40	0		FDABHM
Cc1sc(C(=O)[N-]c2ccon2)cc1S(=O)(=O)N1CCOCC1	ZINC000006679787	518380625	/nfs/dbraw/zinc/38/06/25/518380625.db2.gz	XDCVAONLLLPVNS-UHFFFAOYSA-N	-1	3	357.413	1.318	40	0		FDABHM
CCN1CCN(c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)cc(=O)[n-]2)CC1	ZINC000019528235	518816657	/nfs/dbraw/zinc/81/66/57/518816657.db2.gz	CZUWDVYSXSWJFC-OAHLLOKOSA-N	-1	3	373.501	1.973	40	0		FDABHM
COc1ccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3C2)cc1	ZINC000019555488	518817532	/nfs/dbraw/zinc/81/75/32/518817532.db2.gz	WPKUCAWFPAQSCP-UHFFFAOYSA-N	-1	3	356.426	1.173	40	0		FDABHM
CC(C)n1nccc1CN1CCC[C@H](c2[n-]ncc2S(C)(=O)=O)C1	ZINC000257235097	528677397	/nfs/dbraw/zinc/67/73/97/528677397.db2.gz	GWKSTQCPFIOCCO-ZDUSSCGKSA-N	-1	3	351.476	1.970	40	0		FDABHM
CC(C)n1nccc1CN1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1	ZINC000257235097	528677401	/nfs/dbraw/zinc/67/74/01/528677401.db2.gz	GWKSTQCPFIOCCO-ZDUSSCGKSA-N	-1	3	351.476	1.970	40	0		FDABHM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1	ZINC000222686927	537511042	/nfs/dbraw/zinc/51/10/42/537511042.db2.gz	JBLWZCYPYGIVAF-UHFFFAOYSA-N	-1	3	361.493	1.041	40	0		FDABHM
CC(C)CN1CC2(C1)CN(Cc1cccc(C(=O)[O-])c1)C[C@@H]1C[C@@H](O)CN12	ZINC000514289506	560032333	/nfs/dbraw/zinc/03/23/33/560032333.db2.gz	MVPIUQZSOPCQDC-RBUKOAKNSA-N	-1	3	373.497	1.346	40	0	biogenic,in-vitro	FDABHM