smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CNS(=O)(=O)c1ccc(I)cc1)[N-]N1C(=O)c2ccccc2C1=O	ZINC000000982344	553891443	/nfs/dbraw/zinc/89/14/43/553891443.db2.gz	URJRIOOYYBDVJT-UHFFFAOYSA-N	-1	3	485.259	0.897	50	0		JCAAHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1	ZINC000001097274	194023292	/nfs/dbraw/zinc/02/32/92/194023292.db2.gz	WNUZYGMNGGSDRL-UHFFFAOYSA-N	-1	3	458.514	0.956	50	0		JCAAHM
Cn1c2c(c(=O)n(C)c1=O)[C@@]([N-]S(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2	ZINC000002372441	194160274	/nfs/dbraw/zinc/16/02/74/194160274.db2.gz	WTWCGOTVEVLXHK-AWEZNQCLSA-N	-1	3	452.798	0.426	50	0		JCAAHM
Cn1c2c(c(=O)n(C)c1=O)[C@]([N-]S(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2	ZINC000002372442	194160230	/nfs/dbraw/zinc/16/02/30/194160230.db2.gz	WTWCGOTVEVLXHK-CQSZACIVSA-N	-1	3	452.798	0.426	50	0		JCAAHM
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])NCc1ccc2c(c1)OCO2	ZINC000002626450	554249792	/nfs/dbraw/zinc/24/97/92/554249792.db2.gz	DONLSBLNPLAZQG-UHFFFAOYSA-N	-1	3	478.479	0.615	50	0		JCAAHM
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])Nc1ccc2c(c1)OCO2	ZINC000002659922	554273780	/nfs/dbraw/zinc/27/37/80/554273780.db2.gz	ALUVGRYWMXRZGA-UHFFFAOYSA-N	-1	3	464.452	0.937	50	0		JCAAHM
Cc1c(NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000002662950	554276181	/nfs/dbraw/zinc/27/61/81/554276181.db2.gz	GCSOXWVIXXODOD-UHFFFAOYSA-N	-1	3	463.450	0.670	50	0		JCAAHM
O=C(Nn1c(=O)c2cc3c(=O)n(NC(=O)c4ccc(O)cc4)c(=O)c3cc2c1=O)c1ccc([O-])cc1	ZINC000002933910	194173925	/nfs/dbraw/zinc/17/39/25/194173925.db2.gz	GQQXDNILBJAZRK-UHFFFAOYSA-N	-1	3	486.396	0.091	50	0		JCAAHM
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1	ZINC000003365937	194303209	/nfs/dbraw/zinc/30/32/09/194303209.db2.gz	XXBCXCPXOPSOSQ-UHFFFAOYSA-N	-1	3	460.468	0.534	50	0		JCAAHM
O=C(c1cnc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1[O-])N1CCOCC1	ZINC000003958721	194367532	/nfs/dbraw/zinc/36/75/32/194367532.db2.gz	NKHLOWKQRUQANL-UHFFFAOYSA-N	-1	3	463.512	0.528	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1	ZINC000004077495	194375192	/nfs/dbraw/zinc/37/51/92/194375192.db2.gz	FRNPVIGDSXNYNU-AWEZNQCLSA-N	-1	3	454.936	0.785	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1	ZINC000004077498	194375177	/nfs/dbraw/zinc/37/51/77/194375177.db2.gz	FRNPVIGDSXNYNU-CQSZACIVSA-N	-1	3	454.936	0.785	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000004794253	525402525	/nfs/dbraw/zinc/40/25/25/525402525.db2.gz	UCMZDYZTPCYKOA-HNNXBMFYSA-N	-1	3	495.989	0.775	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000004794256	525401368	/nfs/dbraw/zinc/40/13/68/525401368.db2.gz	UCMZDYZTPCYKOA-OAHLLOKOSA-N	-1	3	495.989	0.775	50	0		JCAAHM
Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[n-]c4=O)C3)CC2)c1C	ZINC000004794259	524548034	/nfs/dbraw/zinc/54/80/34/524548034.db2.gz	GZCBDLPYSIBWKH-GOSISDBHSA-N	-1	3	489.598	0.738	50	0		JCAAHM
Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[n-]c4=O)C3)CC2)c1C	ZINC000004794261	524549385	/nfs/dbraw/zinc/54/93/85/524549385.db2.gz	GZCBDLPYSIBWKH-SFHVURJKSA-N	-1	3	489.598	0.738	50	0		JCAAHM
COC(CNC(=O)c1cnc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1[O-])OC	ZINC000006296533	562937202	/nfs/dbraw/zinc/93/72/02/562937202.db2.gz	RSAMJSDEOFTKKL-UHFFFAOYSA-N	-1	3	481.527	0.404	50	0		JCAAHM
COCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1[O-]	ZINC000006296539	562937193	/nfs/dbraw/zinc/93/71/93/562937193.db2.gz	IKKXSVXBKHHEFE-UHFFFAOYSA-N	-1	3	465.528	0.822	50	0		JCAAHM
Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)NC[C@@H]2CCCO2)c1	ZINC000006577184	554552546	/nfs/dbraw/zinc/55/25/46/554552546.db2.gz	BMQRRVKNOCOIJB-INIZCTEOSA-N	-1	3	456.528	0.930	50	0	aggregator	JCAAHM
Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)NC[C@H]2CCCO2)c1	ZINC000006577185	554552570	/nfs/dbraw/zinc/55/25/70/554552570.db2.gz	BMQRRVKNOCOIJB-MRXNPFEDSA-N	-1	3	456.528	0.930	50	0	aggregator	JCAAHM
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1OC	ZINC000008594100	524612215	/nfs/dbraw/zinc/61/22/15/524612215.db2.gz	SFZUHILAZAZHRR-LBPRGKRZSA-N	-1	3	452.489	0.428	50	0		JCAAHM
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1OC	ZINC000008594102	524593719	/nfs/dbraw/zinc/59/37/19/524593719.db2.gz	SFZUHILAZAZHRR-GFCCVEGCSA-N	-1	3	452.489	0.428	50	0		JCAAHM
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c(OC)c1	ZINC000008594109	524612930	/nfs/dbraw/zinc/61/29/30/524612930.db2.gz	CINURJQQYNWYSQ-LBPRGKRZSA-N	-1	3	452.489	0.428	50	0		JCAAHM
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c(OC)c1	ZINC000008594110	524594317	/nfs/dbraw/zinc/59/43/17/524594317.db2.gz	CINURJQQYNWYSQ-GFCCVEGCSA-N	-1	3	452.489	0.428	50	0		JCAAHM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1	ZINC000008594563	527210171	/nfs/dbraw/zinc/21/01/71/527210171.db2.gz	UHYGZYBOJULBCK-UHFFFAOYSA-N	-1	3	483.597	0.947	50	0		JCAAHM
COc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000008598006	562944851	/nfs/dbraw/zinc/94/48/51/562944851.db2.gz	OBVZQYXGCYORDI-UHFFFAOYSA-N	-1	3	488.522	0.901	50	0		JCAAHM
Cc1ccc(S(=O)(=O)C[C@H]2O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]2O)cc1	ZINC000008626894	525490972	/nfs/dbraw/zinc/49/09/72/525490972.db2.gz	GSAUVLVGNOSMJI-BFHYXJOUSA-N	-1	3	492.291	0.572	50	0		JCAAHM
O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)[N-]N1C(=O)NC2(CCCCC2)C1=O	ZINC000008726696	569600972	/nfs/dbraw/zinc/60/09/72/569600972.db2.gz	PZVYXAXGAWGRCK-NSHDSACASA-N	-1	3	457.534	0.425	50	0		JCAAHM
O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)[N-]N1C(=O)NC2(CCCCC2)C1=O	ZINC000008726697	569600930	/nfs/dbraw/zinc/60/09/30/569600930.db2.gz	PZVYXAXGAWGRCK-LLVKDONJSA-N	-1	3	457.534	0.425	50	0		JCAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000008882411	554777341	/nfs/dbraw/zinc/77/73/41/554777341.db2.gz	LYZDGZQOXSZVLJ-CYBMUJFWSA-N	-1	3	464.422	0.406	50	0		JCAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000008882416	554777386	/nfs/dbraw/zinc/77/73/86/554777386.db2.gz	LYZDGZQOXSZVLJ-ZDUSSCGKSA-N	-1	3	464.422	0.406	50	0		JCAAHM
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000009032747	554867410	/nfs/dbraw/zinc/86/74/10/554867410.db2.gz	SIZFWIYHGBGLIB-UHFFFAOYSA-N	-1	3	474.495	0.430	50	0		JCAAHM
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCOCC1	ZINC000009083650	554888558	/nfs/dbraw/zinc/88/85/58/554888558.db2.gz	FWSKACMUGYWUKR-BONVTDFDSA-N	-1	3	455.316	0.423	50	0		JCAAHM
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCOCC1	ZINC000009083651	554888573	/nfs/dbraw/zinc/88/85/73/554888573.db2.gz	FWSKACMUGYWUKR-BMIGLBTASA-N	-1	3	455.316	0.423	50	0		JCAAHM
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCOCC1	ZINC000009083653	554888537	/nfs/dbraw/zinc/88/85/37/554888537.db2.gz	FWSKACMUGYWUKR-ZUZCIYMTSA-N	-1	3	455.316	0.423	50	0		JCAAHM
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCOCC1	ZINC000009083654	554888585	/nfs/dbraw/zinc/88/85/85/554888585.db2.gz	FWSKACMUGYWUKR-MEBBXXQBSA-N	-1	3	455.316	0.423	50	0		JCAAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009119990	554912117	/nfs/dbraw/zinc/91/21/17/554912117.db2.gz	DCBJXFRVAPZHMV-UHFFFAOYSA-N	-1	3	486.506	0.656	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)c(=O)[n-]c1=O	ZINC000009125570	554918204	/nfs/dbraw/zinc/91/82/04/554918204.db2.gz	ABLUXMPAAJANOJ-UHFFFAOYSA-N	-1	3	477.477	0.528	50	0		JCAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O	ZINC000009127845	554923514	/nfs/dbraw/zinc/92/35/14/554923514.db2.gz	NJGPYYKFRRNFAF-YEJXKQKISA-N	-1	3	492.485	0.534	50	0		JCAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O	ZINC000009127846	554923579	/nfs/dbraw/zinc/92/35/79/554923579.db2.gz	NJGPYYKFRRNFAF-ZSEKCTLFSA-N	-1	3	492.485	0.534	50	0		JCAAHM
COc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2O)cc1S(=O)(=O)N1CCOCC1	ZINC000009128561	554925453	/nfs/dbraw/zinc/92/54/53/554925453.db2.gz	CWUHJLMLAJILBQ-UHFFFAOYSA-N	-1	3	466.468	0.923	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2cnc3sccc3c2=O)c(=O)[n-]c1=O	ZINC000009222581	554991863	/nfs/dbraw/zinc/99/18/63/554991863.db2.gz	ZCRWSWFGAZVADA-UHFFFAOYSA-N	-1	3	482.522	0.770	50	0		JCAAHM
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc([O-])cc2)c(N)n(Cc2ccccc2)c1=O	ZINC000009223320	554993512	/nfs/dbraw/zinc/99/35/12/554993512.db2.gz	QRTJMMVLAWFXKI-UHFFFAOYSA-N	-1	3	467.434	0.559	50	0		JCAAHM
O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)[N-]N1C(=O)NC2(CCCCC2)C1=O	ZINC000009313771	555089385	/nfs/dbraw/zinc/08/93/85/555089385.db2.gz	TXAVQFWAKABQAW-UHFFFAOYSA-N	-1	3	483.572	0.481	50	0		JCAAHM
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccn3)c(=O)[n-]2)cc1	ZINC000009349225	555116126	/nfs/dbraw/zinc/11/61/26/555116126.db2.gz	WUDCQHFRNDCKHF-UHFFFAOYSA-N	-1	3	457.497	0.882	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2c3ccccc3OCC2=O)c(=O)[n-]c1=O	ZINC000009349331	555116310	/nfs/dbraw/zinc/11/63/10/555116310.db2.gz	KHHGWNDRGDPSTO-UHFFFAOYSA-N	-1	3	479.493	0.724	50	0		JCAAHM
CCOC(=O)N1CCN(C(=O)CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccccc2)CC1	ZINC000009381994	555145707	/nfs/dbraw/zinc/14/57/07/555145707.db2.gz	SIHJSOVRVPNFTO-UHFFFAOYSA-N	-1	3	499.553	0.628	50	0		JCAAHM
CCOC(=O)CNC(=O)CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(F)cc1	ZINC000009382042	555145954	/nfs/dbraw/zinc/14/59/54/555145954.db2.gz	ZWTBMVBVYCMWNB-UHFFFAOYSA-N	-1	3	462.463	0.145	50	0		JCAAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(Cl)cc1)N1CCOCC1	ZINC000009382070	555146146	/nfs/dbraw/zinc/14/61/46/555146146.db2.gz	ZOOIGXVQWAMYJN-UHFFFAOYSA-N	-1	3	462.919	0.839	50	0		JCAAHM
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1	ZINC000009415227	555182809	/nfs/dbraw/zinc/18/28/09/555182809.db2.gz	MXXPAPVRTWFCIQ-UHFFFAOYSA-N	-1	3	479.559	0.733	50	0		JCAAHM
Cc1ccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000009465925	555241009	/nfs/dbraw/zinc/24/10/09/555241009.db2.gz	NAGNNWUPNCVXSI-UHFFFAOYSA-N	-1	3	458.496	0.658	50	0		JCAAHM
Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1C	ZINC000009492385	555272235	/nfs/dbraw/zinc/27/22/35/555272235.db2.gz	JVMNKMBTDWBHKX-QFIPXVFZSA-N	-1	3	488.522	0.818	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000009530928	555325711	/nfs/dbraw/zinc/32/57/11/555325711.db2.gz	YVNGVRQRKRSQRG-UHFFFAOYSA-N	-1	3	496.611	0.982	50	0		JCAAHM
COc1ccc(CNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1OC	ZINC000009562454	555363041	/nfs/dbraw/zinc/36/30/41/555363041.db2.gz	QHTOSRPHQSVKPN-UHFFFAOYSA-N	-1	3	494.522	0.904	50	0		JCAAHM
C[C@H](OC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000009584473	555393322	/nfs/dbraw/zinc/39/33/22/555393322.db2.gz	OKNYZESGYJWGJR-NSHDSACASA-N	-1	3	461.543	0.634	50	0		JCAAHM
C[C@@H](OC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000009584479	555393328	/nfs/dbraw/zinc/39/33/28/555393328.db2.gz	OKNYZESGYJWGJR-LLVKDONJSA-N	-1	3	461.543	0.634	50	0		JCAAHM
Cc1ccc(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N(C)C	ZINC000009585097	555394429	/nfs/dbraw/zinc/39/44/29/555394429.db2.gz	NQADICJVGWYOSY-UHFFFAOYSA-N	-1	3	487.531	0.845	50	0		JCAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000009613011	555447559	/nfs/dbraw/zinc/44/75/59/555447559.db2.gz	VQHXLYZYANMSQB-SFHVURJKSA-N	-1	3	487.531	0.958	50	0		JCAAHM
CC(C)[C@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000009634522	1070369454	/nfs/dbraw/zinc/36/94/54/1070369454.db2.gz	WTPIYRQRVBPZLP-DVQDXYAYSA-N	-1	3	478.527	0.007	50	0		JCAAHM
CC(C)[C@@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000009634523	1070369572	/nfs/dbraw/zinc/36/95/72/1070369572.db2.gz	WTPIYRQRVBPZLP-SXSDINLZSA-N	-1	3	478.527	0.007	50	0		JCAAHM
Cc1ccc(/C=C/S(=O)(=O)[N-]CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000009670841	555388622	/nfs/dbraw/zinc/38/86/22/555388622.db2.gz	LADOWFGHXWIEFD-ZHACJKMWSA-N	-1	3	467.525	0.714	50	0		JCAAHM
COc1ccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000009715350	555447222	/nfs/dbraw/zinc/44/72/22/555447222.db2.gz	GJGJGUCRTGUGBY-UHFFFAOYSA-N	-1	3	474.495	0.358	50	0		JCAAHM
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3[n-]c(=O)c4ccccc4c3=O)CC2)cc1	ZINC000009738943	555470405	/nfs/dbraw/zinc/47/04/05/555470405.db2.gz	BHJSIKBSLJTLFC-UHFFFAOYSA-N	-1	3	456.524	0.921	50	0		JCAAHM
O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009739035	555470340	/nfs/dbraw/zinc/47/03/40/555470340.db2.gz	FMPYEQRBEVVROE-UHFFFAOYSA-N	-1	3	485.559	0.831	50	0		JCAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000009869277	195005144	/nfs/dbraw/zinc/00/51/44/195005144.db2.gz	NWLVDAKRXYJWND-UHFFFAOYSA-N	-1	3	460.487	0.752	50	0		JCAAHM
NS(=O)(=O)c1cccc(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C/c2ccccc2)c1	ZINC000009884928	195014207	/nfs/dbraw/zinc/01/42/07/195014207.db2.gz	GWCXLIQQPNQDGC-MDZDMXLPSA-N	-1	3	453.498	0.406	50	0		JCAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)CSc1ccc(S(=O)(=O)N3CCOCC3)cn1)C2=O	ZINC000010037812	555604350	/nfs/dbraw/zinc/60/43/50/555604350.db2.gz	DTCYZTILWPUSRJ-UHFFFAOYSA-N	-1	3	497.599	0.727	50	0		JCAAHM
CC(C)(C)n1ncc2c1ncn([N-]C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)c2=O	ZINC000010250953	555660923	/nfs/dbraw/zinc/66/09/23/555660923.db2.gz	HAFVOKJRDZYFDH-UHFFFAOYSA-N	-1	3	460.516	0.753	50	0		JCAAHM
O=C(COC(=O)c1sccc1S(=O)(=O)[N-]C1CC1)N1CCN(c2ncccn2)CC1	ZINC000010567375	555727380	/nfs/dbraw/zinc/72/73/80/555727380.db2.gz	FHENCOLPDUCIBW-UHFFFAOYSA-N	-1	3	451.530	0.484	50	0		JCAAHM
CNC(=O)[C@@H]1CN(C(=O)COC(=O)c2sccc2S(=O)(=O)[N-]C2CC2)c2ccccc2O1	ZINC000010569120	555727310	/nfs/dbraw/zinc/72/73/10/555727310.db2.gz	JFIUIAPEHAXVEG-HNNXBMFYSA-N	-1	3	479.536	0.886	50	0		JCAAHM
CNC(=O)[C@H]1CN(C(=O)COC(=O)c2sccc2S(=O)(=O)[N-]C2CC2)c2ccccc2O1	ZINC000010569126	555727363	/nfs/dbraw/zinc/72/73/63/555727363.db2.gz	JFIUIAPEHAXVEG-OAHLLOKOSA-N	-1	3	479.536	0.886	50	0		JCAAHM
CC(C)Cn1c(N)c(C(=O)COC(=O)c2sccc2S(=O)(=O)[N-]C2CC2)c(=O)[nH]c1=O	ZINC000010569161	555727713	/nfs/dbraw/zinc/72/77/13/555727713.db2.gz	ZVBKWTSEETZLKC-UHFFFAOYSA-N	-1	3	470.529	0.317	50	0		JCAAHM
CCOC(=O)CNC(=O)CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1cc(C)ccc1C	ZINC000011024740	555754251	/nfs/dbraw/zinc/75/42/51/555754251.db2.gz	NWOJZGQMCXSIKI-UHFFFAOYSA-N	-1	3	472.527	0.623	50	0		JCAAHM
Cn1c(=O)cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)n(C)c1=O	ZINC000011232031	555768269	/nfs/dbraw/zinc/76/82/69/555768269.db2.gz	YPALQVQANLLQFZ-AWEZNQCLSA-N	-1	3	471.919	0.552	50	0		JCAAHM
Cn1c(=O)cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)n(C)c1=O	ZINC000011232041	555768235	/nfs/dbraw/zinc/76/82/35/555768235.db2.gz	YPALQVQANLLQFZ-CQSZACIVSA-N	-1	3	471.919	0.552	50	0		JCAAHM
O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000011449738	555781070	/nfs/dbraw/zinc/78/10/70/555781070.db2.gz	DMHCJFRFIDOXCG-UHFFFAOYSA-N	-1	3	468.582	0.756	50	0		JCAAHM
CCCn1c(=O)[n-]nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000011650576	555794123	/nfs/dbraw/zinc/79/41/23/555794123.db2.gz	LSBQMKZURUKICS-UHFFFAOYSA-N	-1	3	483.572	0.790	50	0		JCAAHM
[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1-c1n[nH]cc1-c1ccc2c(c1)OCCO2	ZINC000011866779	555842828	/nfs/dbraw/zinc/84/28/28/555842828.db2.gz	QBGZOERJUNHHSQ-DODNOZFWSA-N	-1	3	472.450	0.399	50	0		JCAAHM
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c1	ZINC000012529451	555999051	/nfs/dbraw/zinc/99/90/51/555999051.db2.gz	QKAVASDWKGQVBW-UHFFFAOYSA-N	-1	3	488.522	0.902	50	0		JCAAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012539751	556013095	/nfs/dbraw/zinc/01/30/95/556013095.db2.gz	IKQGCJRKXOAOGW-UHFFFAOYSA-N	-1	3	486.506	0.656	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	ZINC000012618268	195055708	/nfs/dbraw/zinc/05/57/08/195055708.db2.gz	RNZWXIIMONKKJS-UHFFFAOYSA-N	-1	3	480.572	0.374	50	0		JCAAHM
Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1C	ZINC000012632506	195064606	/nfs/dbraw/zinc/06/46/06/195064606.db2.gz	JVMNKMBTDWBHKX-JOCHJYFZSA-N	-1	3	488.522	0.818	50	0		JCAAHM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000012738792	556107101	/nfs/dbraw/zinc/10/71/01/556107101.db2.gz	KBWSSGNPZBQQPP-UHFFFAOYSA-N	-1	3	450.517	0.988	50	0		JCAAHM
O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012779459	195123425	/nfs/dbraw/zinc/12/34/25/195123425.db2.gz	KHYSBEHOFWSCDD-CQSZACIVSA-N	-1	3	488.613	0.183	50	0		JCAAHM
O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012779464	195123469	/nfs/dbraw/zinc/12/34/69/195123469.db2.gz	KHYSBEHOFWSCDD-AWEZNQCLSA-N	-1	3	488.613	0.183	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000012791657	195132516	/nfs/dbraw/zinc/13/25/16/195132516.db2.gz	PQGZRWHPMOMHTL-SFHVURJKSA-N	-1	3	478.527	0.471	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000012791663	195132445	/nfs/dbraw/zinc/13/24/45/195132445.db2.gz	PQGZRWHPMOMHTL-GOSISDBHSA-N	-1	3	478.527	0.471	50	0		JCAAHM
C[C@@]1(CSc2ccccc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)NC(=O)[N-]C1=O	ZINC000012792081	195132968	/nfs/dbraw/zinc/13/29/68/195132968.db2.gz	VILLVNBXWDGAGF-QFIPXVFZSA-N	-1	3	459.572	0.757	50	0		JCAAHM
C[C@]1(CSc2ccccc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)NC(=O)[N-]C1=O	ZINC000012792086	195133024	/nfs/dbraw/zinc/13/30/24/195133024.db2.gz	VILLVNBXWDGAGF-JOCHJYFZSA-N	-1	3	459.572	0.757	50	0		JCAAHM
CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000012801902	195139793	/nfs/dbraw/zinc/13/97/93/195139793.db2.gz	ZEXUNQRESGWVFW-DGCLKSJQSA-N	-1	3	466.965	0.829	50	0		JCAAHM
CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1)[C@H]1CCS(=O)(=O)C1	ZINC000012801910	195139788	/nfs/dbraw/zinc/13/97/88/195139788.db2.gz	ZEXUNQRESGWVFW-YPMHNXCESA-N	-1	3	466.965	0.829	50	0		JCAAHM
CCN(C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000012801916	195139701	/nfs/dbraw/zinc/13/97/01/195139701.db2.gz	ZEXUNQRESGWVFW-WCQYABFASA-N	-1	3	466.965	0.829	50	0		JCAAHM
CCN(C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1)[C@H]1CCS(=O)(=O)C1	ZINC000012801922	195139778	/nfs/dbraw/zinc/13/97/78/195139778.db2.gz	ZEXUNQRESGWVFW-AAEUAGOBSA-N	-1	3	466.965	0.829	50	0		JCAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000012855407	195156931	/nfs/dbraw/zinc/15/69/31/195156931.db2.gz	OEKZFYYPKXHLIN-CYBMUJFWSA-N	-1	3	491.588	0.891	50	0		JCAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000012855412	195157079	/nfs/dbraw/zinc/15/70/79/195157079.db2.gz	OEKZFYYPKXHLIN-ZDUSSCGKSA-N	-1	3	491.588	0.891	50	0		JCAAHM
O=C(NN1CC(=O)[N-]C1=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21	ZINC000012863559	195160566	/nfs/dbraw/zinc/16/05/66/195160566.db2.gz	CBYWSVVLFNYHEJ-UHFFFAOYSA-N	-1	3	459.415	0.665	50	0		JCAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000012883288	195169768	/nfs/dbraw/zinc/16/97/68/195169768.db2.gz	FRFNAYJPPXHENS-IBGZPJMESA-N	-1	3	450.451	0.613	50	0		JCAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000012883296	195169791	/nfs/dbraw/zinc/16/97/91/195169791.db2.gz	FRFNAYJPPXHENS-LJQANCHMSA-N	-1	3	450.451	0.201	50	0		JCAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000012896241	195175356	/nfs/dbraw/zinc/17/53/56/195175356.db2.gz	BJSMZHBUYCRTHU-HXUWFJFHSA-N	-1	3	464.478	0.591	50	0		JCAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000012899273	195176922	/nfs/dbraw/zinc/17/69/22/195176922.db2.gz	OOQADLKTBHSDMA-ZDUSSCGKSA-N	-1	3	459.322	0.270	50	0		JCAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000012899278	195176916	/nfs/dbraw/zinc/17/69/16/195176916.db2.gz	OOQADLKTBHSDMA-CYBMUJFWSA-N	-1	3	459.322	0.270	50	0		JCAAHM
CN1CCN(S(=O)(=O)c2cccc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2)CC1	ZINC000012973120	556164654	/nfs/dbraw/zinc/16/46/54/556164654.db2.gz	QHXHEKBTGDPMCR-QFIPXVFZSA-N	-1	3	471.539	0.735	50	0		JCAAHM
CN1CCN(S(=O)(=O)c2cccc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)c2)CC1	ZINC000012973122	556164676	/nfs/dbraw/zinc/16/46/76/556164676.db2.gz	QHXHEKBTGDPMCR-JOCHJYFZSA-N	-1	3	471.539	0.735	50	0		JCAAHM
C[C@@]1(CSc2ccccc2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)NC(=O)[N-]C1=O	ZINC000012991259	556184189	/nfs/dbraw/zinc/18/41/89/556184189.db2.gz	IQKXLJLNYKDGBA-VLIAUNLRSA-N	-1	3	466.585	0.322	50	0		JCAAHM
C[C@]1(CSc2ccccc2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)NC(=O)[N-]C1=O	ZINC000012991263	556184036	/nfs/dbraw/zinc/18/40/36/556184036.db2.gz	IQKXLJLNYKDGBA-JLTOFOAXSA-N	-1	3	466.585	0.322	50	0		JCAAHM
C[C@@]1(CSc2ccccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)NC(=O)[N-]C1=O	ZINC000012991267	556184106	/nfs/dbraw/zinc/18/41/06/556184106.db2.gz	IQKXLJLNYKDGBA-XOBRGWDASA-N	-1	3	466.585	0.322	50	0		JCAAHM
C[C@]1(CSc2ccccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)NC(=O)[N-]C1=O	ZINC000012991270	556184078	/nfs/dbraw/zinc/18/40/78/556184078.db2.gz	IQKXLJLNYKDGBA-VBKZILBWSA-N	-1	3	466.585	0.322	50	0		JCAAHM
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012992767	556185126	/nfs/dbraw/zinc/18/51/26/556185126.db2.gz	YSVKLYOSFNLNLV-UHFFFAOYSA-N	-1	3	456.571	0.515	50	0		JCAAHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3[n-]c(=O)c4ccccc4c3=O)CC2)cc1	ZINC000013016051	556207705	/nfs/dbraw/zinc/20/77/05/556207705.db2.gz	VSYBWPMZHRRGCQ-UHFFFAOYSA-N	-1	3	458.496	0.232	50	0		JCAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2=O	ZINC000013057957	556253178	/nfs/dbraw/zinc/25/31/78/556253178.db2.gz	UOQKZWRFHDOPAR-UHFFFAOYSA-N	-1	3	450.517	0.853	50	0		JCAAHM
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1	ZINC000013102709	556303964	/nfs/dbraw/zinc/30/39/64/556303964.db2.gz	MMWNHOFFXFEIRB-UHFFFAOYSA-N	-1	3	488.522	0.902	50	0		JCAAHM
COC(=O)c1cc(NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc(C(=O)OC)c1	ZINC000013129768	556354006	/nfs/dbraw/zinc/35/40/06/556354006.db2.gz	GBCIGKRTYDYTRJ-UHFFFAOYSA-N	-1	3	469.406	0.445	50	0		JCAAHM
O=C(c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1[O-])N1CCC2(CC1)OCCO2	ZINC000013139671	555336706	/nfs/dbraw/zinc/33/67/06/555336706.db2.gz	INUXJQTWXUTKDL-UHFFFAOYSA-N	-1	3	463.512	0.528	50	0		JCAAHM
COc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000013521403	524365068	/nfs/dbraw/zinc/36/50/68/524365068.db2.gz	WASCLUSTDZOZAY-UHFFFAOYSA-N	-1	3	451.486	0.671	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)CC1	ZINC000014076123	555680160	/nfs/dbraw/zinc/68/01/60/555680160.db2.gz	OYHOVACVKSRZBQ-UHFFFAOYSA-N	-1	3	482.563	0.130	50	0		JCAAHM
Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c1)c(=O)n2C	ZINC000014094282	555686498	/nfs/dbraw/zinc/68/64/98/555686498.db2.gz	QWTBKQRTJDBGKW-UHFFFAOYSA-N	-1	3	495.945	0.775	50	0		JCAAHM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000014142388	555707875	/nfs/dbraw/zinc/70/78/75/555707875.db2.gz	VKFVMCRWZCILJT-OAHLLOKOSA-N	-1	3	461.993	0.726	50	0		JCAAHM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000014142389	555707937	/nfs/dbraw/zinc/70/79/37/555707937.db2.gz	VKFVMCRWZCILJT-HNNXBMFYSA-N	-1	3	461.993	0.726	50	0		JCAAHM
O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000014168380	555720928	/nfs/dbraw/zinc/72/09/28/555720928.db2.gz	YWPUNWCFVXOMAI-UHFFFAOYSA-N	-1	3	456.484	0.785	50	0		JCAAHM
O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000014168380	555720923	/nfs/dbraw/zinc/72/09/23/555720923.db2.gz	YWPUNWCFVXOMAI-UHFFFAOYSA-N	-1	3	456.484	0.785	50	0		JCAAHM
O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000014168396	555720797	/nfs/dbraw/zinc/72/07/97/555720797.db2.gz	PPIVXXDYJXNKGJ-OAHLLOKOSA-N	-1	3	462.513	0.584	50	0		JCAAHM
O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000014168396	555720793	/nfs/dbraw/zinc/72/07/93/555720793.db2.gz	PPIVXXDYJXNKGJ-OAHLLOKOSA-N	-1	3	462.513	0.584	50	0		JCAAHM
O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000014168398	555720834	/nfs/dbraw/zinc/72/08/34/555720834.db2.gz	PPIVXXDYJXNKGJ-HNNXBMFYSA-N	-1	3	462.513	0.584	50	0		JCAAHM
O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000014168398	555720831	/nfs/dbraw/zinc/72/08/31/555720831.db2.gz	PPIVXXDYJXNKGJ-HNNXBMFYSA-N	-1	3	462.513	0.584	50	0		JCAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	ZINC000014372406	555800585	/nfs/dbraw/zinc/80/05/85/555800585.db2.gz	IDXWGWXYGHTCOH-UHFFFAOYSA-N	-1	3	492.583	0.481	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2C(=O)c3ccccc3C2=O)c(=O)[n-]c1=O	ZINC000014507060	555815896	/nfs/dbraw/zinc/81/58/96/555815896.db2.gz	JLGCQOBNIUWJRZ-UHFFFAOYSA-N	-1	3	477.477	0.595	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(=O)[n-]c1=O	ZINC000014507215	555815870	/nfs/dbraw/zinc/81/58/70/555815870.db2.gz	PMEMIFIWJFWDRN-OAHLLOKOSA-N	-1	3	491.504	0.983	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(=O)[n-]c1=O	ZINC000014507218	555815827	/nfs/dbraw/zinc/81/58/27/555815827.db2.gz	PMEMIFIWJFWDRN-HNNXBMFYSA-N	-1	3	491.504	0.983	50	0		JCAAHM
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[N-]N1C(=O)NC2(CCCCC2)C1=O	ZINC000015186351	555882890	/nfs/dbraw/zinc/88/28/90/555882890.db2.gz	QMKVIMIWJNYVHU-UHFFFAOYSA-N	-1	3	478.527	0.914	50	0		JCAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000015513800	555912328	/nfs/dbraw/zinc/91/23/28/555912328.db2.gz	KCQLWVYBDOAOJJ-UHFFFAOYSA-N	-1	3	468.535	0.712	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1	ZINC000015680640	555949000	/nfs/dbraw/zinc/94/90/00/555949000.db2.gz	KWYXNGVTVRARIU-UHFFFAOYSA-N	-1	3	462.463	0.048	50	0		JCAAHM
CCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[n-]1	ZINC000015979602	556098806	/nfs/dbraw/zinc/09/88/06/556098806.db2.gz	OXGNYIJRSSBHJT-UHFFFAOYSA-N	-1	3	493.586	0.995	50	0		JCAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCc2c(C)nc(C)[n-]c2=O)c(=O)[nH]c1=O	ZINC000016468580	522070333	/nfs/dbraw/zinc/07/03/33/522070333.db2.gz	SIHJXQHLXSEXPH-UHFFFAOYSA-N	-1	3	468.514	0.631	50	0		JCAAHM
COc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000016469010	524485631	/nfs/dbraw/zinc/48/56/31/524485631.db2.gz	FOCWYYQMJLEFFX-UHFFFAOYSA-N	-1	3	450.517	0.988	50	0		JCAAHM
COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCOCC2)cc1	ZINC000016954970	556186597	/nfs/dbraw/zinc/18/65/97/556186597.db2.gz	UAAGBZRKKPGXOY-UHFFFAOYSA-N	-1	3	458.500	0.194	50	0		JCAAHM
COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCOCC2)c1	ZINC000016960610	556191104	/nfs/dbraw/zinc/19/11/04/556191104.db2.gz	KZJBIYKYSAWOCF-UHFFFAOYSA-N	-1	3	458.500	0.194	50	0		JCAAHM
Cc1ccc(C)c(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCOCC2)c1	ZINC000017026631	556206519	/nfs/dbraw/zinc/20/65/19/556206519.db2.gz	QLAORAQUAOJXNU-UHFFFAOYSA-N	-1	3	456.528	0.802	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000017050921	556212027	/nfs/dbraw/zinc/21/20/27/556212027.db2.gz	WBKPGUMCJCGGMD-UHFFFAOYSA-N	-1	3	470.573	0.801	50	0		JCAAHM
CCOC(=O)CNC(=O)CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1cccc(OC)c1	ZINC000017297037	556252546	/nfs/dbraw/zinc/25/25/46/556252546.db2.gz	VGJNSKYNWNJZDW-UHFFFAOYSA-N	-1	3	474.499	0.015	50	0		JCAAHM
CCOc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCOCC2)cc1	ZINC000017315141	556256756	/nfs/dbraw/zinc/25/67/56/556256756.db2.gz	CLABYWMTAXABMQ-UHFFFAOYSA-N	-1	3	472.527	0.584	50	0		JCAAHM
CC(=O)Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	ZINC000018057987	556281172	/nfs/dbraw/zinc/28/11/72/556281172.db2.gz	SXPOWDASEUDDAR-NRFANRHFSA-N	-1	3	491.504	0.973	50	0		JCAAHM
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N(CCO)CCO)ccc1OCC)[n-]c2=O	ZINC000018203107	556309187	/nfs/dbraw/zinc/30/91/87/556309187.db2.gz	ASLYFRXJVSDKKL-UHFFFAOYSA-N	-1	3	479.559	0.650	50	0		JCAAHM
C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000019077122	556328180	/nfs/dbraw/zinc/32/81/80/556328180.db2.gz	VXWFJVUCYJBLKS-JTQLQIEISA-N	-1	3	499.552	0.187	50	0		JCAAHM
CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000020154239	555673413	/nfs/dbraw/zinc/67/34/13/555673413.db2.gz	LTCQJYWVGDFILI-UHFFFAOYSA-N	-1	3	464.500	0.588	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1	ZINC000020154250	555673838	/nfs/dbraw/zinc/67/38/38/555673838.db2.gz	QDHNWLZIDLBNSA-UHFFFAOYSA-N	-1	3	450.473	0.182	50	0		JCAAHM
CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)CC2)s1	ZINC000020154269	555673821	/nfs/dbraw/zinc/67/38/21/555673821.db2.gz	XIPOBHZWLOMAAM-UHFFFAOYSA-N	-1	3	460.563	0.375	50	0		JCAAHM
COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1OC	ZINC000020154444	555674193	/nfs/dbraw/zinc/67/41/93/555674193.db2.gz	NFMWXTYEFZYVMV-OAHLLOKOSA-N	-1	3	480.543	0.148	50	0		JCAAHM
COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1OC	ZINC000020154446	555674078	/nfs/dbraw/zinc/67/40/78/555674078.db2.gz	NFMWXTYEFZYVMV-HNNXBMFYSA-N	-1	3	480.543	0.148	50	0		JCAAHM
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000020154461	555674141	/nfs/dbraw/zinc/67/41/41/555674141.db2.gz	KPBBOKPDHFOOAZ-CQSZACIVSA-N	-1	3	464.500	0.588	50	0		JCAAHM
CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000020154463	555674169	/nfs/dbraw/zinc/67/41/69/555674169.db2.gz	KPBBOKPDHFOOAZ-AWEZNQCLSA-N	-1	3	464.500	0.588	50	0		JCAAHM
COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c1	ZINC000020154465	555674181	/nfs/dbraw/zinc/67/41/81/555674181.db2.gz	ABJSLMSOFFLYGI-GFCCVEGCSA-N	-1	3	452.489	0.428	50	0		JCAAHM
COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c1	ZINC000020154467	555674126	/nfs/dbraw/zinc/67/41/26/555674126.db2.gz	ABJSLMSOFFLYGI-LBPRGKRZSA-N	-1	3	452.489	0.428	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000020154477	555674157	/nfs/dbraw/zinc/67/41/57/555674157.db2.gz	CPQVCTCIIFULFI-GFCCVEGCSA-N	-1	3	450.473	0.182	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000020154479	555674091	/nfs/dbraw/zinc/67/40/91/555674091.db2.gz	CPQVCTCIIFULFI-LBPRGKRZSA-N	-1	3	450.473	0.182	50	0		JCAAHM
COc1ccc(N(CC(=O)Nc2nc(C)cs2)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000020280441	555751278	/nfs/dbraw/zinc/75/12/78/555751278.db2.gz	RWBCYPOVYXQOES-UHFFFAOYSA-N	-1	3	465.513	0.979	50	0		JCAAHM
COc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000020280444	555751215	/nfs/dbraw/zinc/75/12/15/555751215.db2.gz	FEDIQNPMDQLXIZ-UHFFFAOYSA-N	-1	3	459.484	0.918	50	0		JCAAHM
Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)[nH]c(=O)[n-]c4=O)CC3)[nH]n2)c(C)c1	ZINC000020532910	555803972	/nfs/dbraw/zinc/80/39/72/555803972.db2.gz	UMCDOXRKTKSLIM-UHFFFAOYSA-N	-1	3	472.527	0.525	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1	ZINC000020532911	555803815	/nfs/dbraw/zinc/80/38/15/555803815.db2.gz	MWRPNIBDZXKXJB-UHFFFAOYSA-N	-1	3	478.918	0.562	50	0		JCAAHM
CC(=O)Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	ZINC000020566295	555820623	/nfs/dbraw/zinc/82/06/23/555820623.db2.gz	SXPOWDASEUDDAR-OAQYLSRUSA-N	-1	3	491.504	0.973	50	0		JCAAHM
CCCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	ZINC000021625405	521614574	/nfs/dbraw/zinc/61/45/74/521614574.db2.gz	GQWHBWYRCLLHFL-UHFFFAOYSA-N	-1	3	471.561	0.742	50	0		JCAAHM
CCN(C(=O)COC(=O)c1ccc([O-])cc1O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000022055517	555866935	/nfs/dbraw/zinc/86/69/35/555866935.db2.gz	YUYSNRYERZDHGP-UHFFFAOYSA-N	-1	3	454.439	0.788	50	0		JCAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1	ZINC000022326749	555922261	/nfs/dbraw/zinc/92/22/61/555922261.db2.gz	DRFAKVUJOLMYEK-KRWDZBQOSA-N	-1	3	458.446	0.600	50	0		JCAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1	ZINC000022326753	555922291	/nfs/dbraw/zinc/92/22/91/555922291.db2.gz	DRFAKVUJOLMYEK-QGZVFWFLSA-N	-1	3	458.446	0.600	50	0		JCAAHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1	ZINC000022610451	526859869	/nfs/dbraw/zinc/85/98/69/526859869.db2.gz	SBZVLPQJAZPKSG-CYBMUJFWSA-N	-1	3	468.470	0.307	50	0		JCAAHM
NC(=O)C1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1	ZINC000022610453	526859503	/nfs/dbraw/zinc/85/95/03/526859503.db2.gz	SBZVLPQJAZPKSG-ZDUSSCGKSA-N	-1	3	468.470	0.307	50	0		JCAAHM
Nc1[nH]c(=O)[n-]c(=O)c1[C@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000023865904	556094096	/nfs/dbraw/zinc/09/40/96/556094096.db2.gz	AYOGBUMWOIKRCC-IBGZPJMESA-N	-1	3	455.540	0.882	50	0		JCAAHM
Nc1[nH]c(=O)[n-]c(=O)c1[C@@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000023865907	556094079	/nfs/dbraw/zinc/09/40/79/556094079.db2.gz	AYOGBUMWOIKRCC-LJQANCHMSA-N	-1	3	455.540	0.882	50	0		JCAAHM
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc([O-])c-2c1=O	ZINC000031155527	569602465	/nfs/dbraw/zinc/60/24/65/569602465.db2.gz	GCLAFEGUXXHIFT-IWLDQSELSA-N	-1	3	462.407	0.059	50	0	biogenic,in-vitro	JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000031807293	556405052	/nfs/dbraw/zinc/40/50/52/556405052.db2.gz	JAEPIZUOOUPREL-OAHLLOKOSA-N	-1	3	479.534	0.260	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000031807298	556405005	/nfs/dbraw/zinc/40/50/05/556405005.db2.gz	JAEPIZUOOUPREL-HNNXBMFYSA-N	-1	3	479.534	0.260	50	0		JCAAHM
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)CC2)cc1	ZINC000031807402	556405351	/nfs/dbraw/zinc/40/53/51/556405351.db2.gz	RBSKOKQTAAQWLL-UHFFFAOYSA-N	-1	3	450.517	0.140	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000031808069	556405615	/nfs/dbraw/zinc/40/56/15/556405615.db2.gz	UDDVSEJJHLHSPN-UHFFFAOYSA-N	-1	3	479.534	0.260	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1	ZINC000031808155	556405613	/nfs/dbraw/zinc/40/56/13/556405613.db2.gz	FEKLUIHCPFMPHR-UHFFFAOYSA-N	-1	3	479.534	0.260	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1	ZINC000031808620	556405628	/nfs/dbraw/zinc/40/56/28/556405628.db2.gz	GNQXESNYLKZQRL-UHFFFAOYSA-N	-1	3	454.936	0.785	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000031808643	556405586	/nfs/dbraw/zinc/40/55/86/556405586.db2.gz	ITYCZTSMPLYAEJ-OAHLLOKOSA-N	-1	3	459.528	0.613	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000031808648	556405621	/nfs/dbraw/zinc/40/56/21/556405621.db2.gz	ITYCZTSMPLYAEJ-HNNXBMFYSA-N	-1	3	459.528	0.613	50	0		JCAAHM
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)CC2)c(OC)c1	ZINC000031808763	556405594	/nfs/dbraw/zinc/40/55/94/556405594.db2.gz	MQQDSHQDGHFIEC-UHFFFAOYSA-N	-1	3	452.489	0.428	50	0		JCAAHM
COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000031808845	556405630	/nfs/dbraw/zinc/40/56/30/556405630.db2.gz	OAOMRNFCEDBALZ-OAHLLOKOSA-N	-1	3	450.517	0.140	50	0		JCAAHM
COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000031808850	556405610	/nfs/dbraw/zinc/40/56/10/556405610.db2.gz	OAOMRNFCEDBALZ-HNNXBMFYSA-N	-1	3	450.517	0.140	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000031809460	556405889	/nfs/dbraw/zinc/40/58/89/556405889.db2.gz	ZZEGFUHHLZJUMS-UHFFFAOYSA-N	-1	3	461.544	0.121	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000031809543	556405902	/nfs/dbraw/zinc/40/59/02/556405902.db2.gz	IAFMSHPHBDJNKT-MRXNPFEDSA-N	-1	3	461.544	0.121	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1	ZINC000031809548	556405936	/nfs/dbraw/zinc/40/59/36/556405936.db2.gz	IAFMSHPHBDJNKT-INIZCTEOSA-N	-1	3	461.544	0.121	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1	ZINC000031809555	556405958	/nfs/dbraw/zinc/40/59/58/556405958.db2.gz	DRXOOSFRDLXFHI-CQSZACIVSA-N	-1	3	477.518	0.752	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1	ZINC000031809560	556405818	/nfs/dbraw/zinc/40/58/18/556405818.db2.gz	DRXOOSFRDLXFHI-AWEZNQCLSA-N	-1	3	477.518	0.752	50	0		JCAAHM
COc1ccccc1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)C1	ZINC000031809593	556405834	/nfs/dbraw/zinc/40/58/34/556405834.db2.gz	RQJPCJPFFFPQLT-OAHLLOKOSA-N	-1	3	450.517	0.140	50	0		JCAAHM
COc1ccccc1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)C1	ZINC000031809598	556405920	/nfs/dbraw/zinc/40/59/20/556405920.db2.gz	RQJPCJPFFFPQLT-HNNXBMFYSA-N	-1	3	450.517	0.140	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1	ZINC000031811640	556406459	/nfs/dbraw/zinc/40/64/59/556406459.db2.gz	OIQLVGFRUNKHBG-GOSISDBHSA-N	-1	3	475.571	0.117	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1	ZINC000031811649	556406493	/nfs/dbraw/zinc/40/64/93/556406493.db2.gz	OIQLVGFRUNKHBG-SFHVURJKSA-N	-1	3	475.571	0.117	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000031811888	556406531	/nfs/dbraw/zinc/40/65/31/556406531.db2.gz	USFXQBYPXYFOOH-UHFFFAOYSA-N	-1	3	495.989	0.775	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1	ZINC000031811990	556406432	/nfs/dbraw/zinc/40/64/32/556406432.db2.gz	GFRYTUSPYGNGMS-OAHLLOKOSA-N	-1	3	479.534	0.260	50	0		JCAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1	ZINC000031811995	556406552	/nfs/dbraw/zinc/40/65/52/556406552.db2.gz	GFRYTUSPYGNGMS-HNNXBMFYSA-N	-1	3	479.534	0.260	50	0		JCAAHM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)cc2n(C)c1=O	ZINC000032643049	556465499	/nfs/dbraw/zinc/46/54/99/556465499.db2.gz	AZDSBMYHTYLDAO-UHFFFAOYSA-N	-1	3	479.584	0.759	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1	ZINC000032809428	556498959	/nfs/dbraw/zinc/49/89/59/556498959.db2.gz	LXSDQDXJNYGCOP-UHFFFAOYSA-N	-1	3	491.636	0.613	50	0		JCAAHM
CNC(=O)CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000033032971	524070709	/nfs/dbraw/zinc/07/07/09/524070709.db2.gz	PJCVRHHFNCLTTG-UHFFFAOYSA-N	-1	3	463.535	0.854	50	0		JCAAHM
CNC(=O)CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000033033004	524070888	/nfs/dbraw/zinc/07/08/88/524070888.db2.gz	RPHLKNJICBMBRG-UHFFFAOYSA-N	-1	3	475.571	0.724	50	0		JCAAHM
COCCNC(=O)CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000033033050	523891917	/nfs/dbraw/zinc/89/19/17/523891917.db2.gz	LRWQAWMLRRNQHF-UHFFFAOYSA-N	-1	3	489.598	0.732	50	0		JCAAHM
COCCNC(=O)CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000033033315	523891682	/nfs/dbraw/zinc/89/16/82/523891682.db2.gz	YHNHHCANILNXHQ-UHFFFAOYSA-N	-1	3	495.627	0.793	50	0		JCAAHM
CN(C)S(=O)(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)[O-])c1	ZINC000033253450	521965613	/nfs/dbraw/zinc/96/56/13/521965613.db2.gz	FURULTSNJSZUDL-UHFFFAOYSA-N	-1	3	453.565	0.913	50	0		JCAAHM
C[NH+](C)CCNC(=O)CN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000033259888	521776618	/nfs/dbraw/zinc/77/66/18/521776618.db2.gz	DDNBXAVHLOSQMG-UHFFFAOYSA-N	-1	3	489.598	0.985	50	0		JCAAHM
Cc1ccc(/C=C\S(=O)(=O)[N-]CC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000033497351	525964501	/nfs/dbraw/zinc/96/45/01/525964501.db2.gz	QRUJWOYXFXBYHY-QBFSEMIESA-N	-1	3	495.579	0.435	50	0		JCAAHM
Cc1ccc(C=CS(=O)(=O)[N-]CC(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1	ZINC000033498995	525964451	/nfs/dbraw/zinc/96/44/51/525964451.db2.gz	SZDARPIKYHKBOA-KTKRTIGZSA-N	-1	3	492.554	0.410	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000035306263	569679957	/nfs/dbraw/zinc/67/99/57/569679957.db2.gz	HWPDJHMRUKIECK-UHFFFAOYSA-N	-1	3	455.581	0.507	50	0		JCAAHM
CN1CCN(S(=O)(=O)c2ccc(SCC(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)nc2)CC1	ZINC000035310613	569680074	/nfs/dbraw/zinc/68/00/74/569680074.db2.gz	XRRDAQBCJBXPKJ-UHFFFAOYSA-N	-1	3	496.615	0.396	50	0		JCAAHM
O=C(CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)CC1)N1CCOCC1	ZINC000035325781	569680745	/nfs/dbraw/zinc/68/07/45/569680745.db2.gz	SFPXPIIOMLLGQS-UHFFFAOYSA-N	-1	3	470.979	0.397	50	0		JCAAHM
COCCN1CCN(Cc2cc(=O)[n-]c(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)CC1	ZINC000035926678	569729788	/nfs/dbraw/zinc/72/97/88/569729788.db2.gz	PRZJERSYLPSXDS-UHFFFAOYSA-N	-1	3	454.575	0.805	50	0		JCAAHM
CCS(=O)(=O)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[n-]2)CC1	ZINC000035926805	569730025	/nfs/dbraw/zinc/73/00/25/569730025.db2.gz	AGZDBBJPWOEJAV-UHFFFAOYSA-N	-1	3	464.567	0.703	50	0		JCAAHM
CCS(=O)(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[n-]2)CC1	ZINC000035926809	569730130	/nfs/dbraw/zinc/73/01/30/569730130.db2.gz	CQBDZSQSLAUEJV-UHFFFAOYSA-N	-1	3	460.604	0.559	50	0		JCAAHM
CNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3cccnc3)c2)CC1	ZINC000036386085	569774190	/nfs/dbraw/zinc/77/41/90/569774190.db2.gz	BRJVVINWPXRSHU-UHFFFAOYSA-N	-1	3	465.963	0.717	50	0		JCAAHM
Cc1nc(N)[n-]c(=O)c1CC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000040105287	569816102	/nfs/dbraw/zinc/81/61/02/569816102.db2.gz	DFCJWWCOMGUJNE-UHFFFAOYSA-N	-1	3	470.349	0.499	50	0		JCAAHM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000057993009	195361207	/nfs/dbraw/zinc/36/12/07/195361207.db2.gz	WGGQZKBOKCQOLH-SFHVURJKSA-N	-1	3	462.466	0.912	50	0		JCAAHM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000057993009	195361206	/nfs/dbraw/zinc/36/12/06/195361206.db2.gz	WGGQZKBOKCQOLH-SFHVURJKSA-N	-1	3	462.466	0.912	50	0		JCAAHM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000057993011	195361229	/nfs/dbraw/zinc/36/12/29/195361229.db2.gz	WGGQZKBOKCQOLH-GOSISDBHSA-N	-1	3	462.466	0.912	50	0		JCAAHM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000057993011	195361226	/nfs/dbraw/zinc/36/12/26/195361226.db2.gz	WGGQZKBOKCQOLH-GOSISDBHSA-N	-1	3	462.466	0.912	50	0		JCAAHM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]CCN4CCOCC4)c(Cl)cc32)no1	ZINC000065022521	569649307	/nfs/dbraw/zinc/64/93/07/569649307.db2.gz	AIZRARSKSGHVLE-UHFFFAOYSA-N	-1	3	485.950	0.822	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1	ZINC000072272105	569701328	/nfs/dbraw/zinc/70/13/28/569701328.db2.gz	KWAMOORKACRARH-HOTGVXAUSA-N	-1	3	455.581	0.503	50	0		JCAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1	ZINC000072272106	569701308	/nfs/dbraw/zinc/70/13/08/569701308.db2.gz	KWAMOORKACRARH-JKSUJKDBSA-N	-1	3	455.581	0.503	50	0		JCAAHM
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2O1	ZINC000072325208	569702209	/nfs/dbraw/zinc/70/22/09/569702209.db2.gz	AZHXYFLWXFJXEO-CQSZACIVSA-N	-1	3	452.529	0.846	50	0	biogenic	JCAAHM
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2O1	ZINC000072325211	569702262	/nfs/dbraw/zinc/70/22/62/569702262.db2.gz	AZHXYFLWXFJXEO-AWEZNQCLSA-N	-1	3	452.529	0.846	50	0	biogenic	JCAAHM
COc1cc(C(c2oc(CO)cc(=O)c2[O-])c2oc(CO)cc(=O)c2O)cc2c1OCCO2	ZINC000096115913	569734884	/nfs/dbraw/zinc/73/48/84/569734884.db2.gz	XBFQECKRXAWJEK-UHFFFAOYSA-N	-1	3	460.391	0.949	50	0	biogenic	JCAAHM
NS(=O)(=O)c1cccc(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C\c2ccccc2)c1	ZINC000096499494	130109518	/nfs/dbraw/zinc/10/95/18/130109518.db2.gz	GWCXLIQQPNQDGC-KTKRTIGZSA-N	-1	3	453.498	0.406	50	0		JCAAHM
CC(C)[C@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000096504065	535124683	/nfs/dbraw/zinc/12/46/83/535124683.db2.gz	WTPIYRQRVBPZLP-MQNTZWLQSA-N	-1	3	478.527	0.007	50	0		JCAAHM
CC(C)[C@@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000096504066	130111750	/nfs/dbraw/zinc/11/17/50/130111750.db2.gz	WTPIYRQRVBPZLP-QXPKXGMISA-N	-1	3	478.527	0.007	50	0		JCAAHM
C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)CC2)C[C@H](C)O1	ZINC000096747843	569742855	/nfs/dbraw/zinc/74/28/55/569742855.db2.gz	NTKARHHETHIFLF-CALCHBBNSA-N	-1	3	487.586	0.580	50	0		JCAAHM
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(=O)c1ccc([O-])cc1	ZINC000097142189	569744634	/nfs/dbraw/zinc/74/46/34/569744634.db2.gz	DEDOMBLROGVYAH-FKAKKMJLSA-N	-1	3	467.427	0.205	50	0		JCAAHM
C[C@H]1CN(S(=O)(=O)N2CCN(Cc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)CC2)C[C@H](C)O1	ZINC000097173620	569744825	/nfs/dbraw/zinc/74/48/25/569744825.db2.gz	NTKARHHETHIFLF-IRXDYDNUSA-N	-1	3	487.586	0.580	50	0		JCAAHM
C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)CC2)C[C@@H](C)O1	ZINC000097173621	569744829	/nfs/dbraw/zinc/74/48/29/569744829.db2.gz	NTKARHHETHIFLF-IAGOWNOFSA-N	-1	3	487.586	0.580	50	0		JCAAHM
Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=O)n3-c2ccc(F)cc2)cc1	ZINC000100681374	569766823	/nfs/dbraw/zinc/76/68/23/569766823.db2.gz	RTIXSXKVDVSHHM-GOSISDBHSA-N	-1	3	499.402	0.935	50	0		JCAAHM
Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=O)n3-c2ccc(F)cc2)cc1	ZINC000100681377	569766795	/nfs/dbraw/zinc/76/67/95/569766795.db2.gz	RTIXSXKVDVSHHM-SFHVURJKSA-N	-1	3	499.402	0.935	50	0		JCAAHM
Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=O)n3-c2ccccc2)cc1	ZINC000100693008	569766938	/nfs/dbraw/zinc/76/69/38/569766938.db2.gz	ONFDRZSKVCCVMK-GOSISDBHSA-N	-1	3	481.412	0.796	50	0		JCAAHM
Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=O)n3-c2ccccc2)cc1	ZINC000100693011	569766925	/nfs/dbraw/zinc/76/69/25/569766925.db2.gz	ONFDRZSKVCCVMK-SFHVURJKSA-N	-1	3	481.412	0.796	50	0		JCAAHM
O=C(CN1CCCC1=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[n-]c(=O)n2-c1ccc(F)cc1	ZINC000101204042	569787112	/nfs/dbraw/zinc/78/71/12/569787112.db2.gz	QCSBEUMVTTWGSE-GOSISDBHSA-N	-1	3	469.351	0.113	50	0		JCAAHM
O=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[n-]c(=O)n2-c1ccc(F)cc1	ZINC000101204046	569787003	/nfs/dbraw/zinc/78/70/03/569787003.db2.gz	QCSBEUMVTTWGSE-SFHVURJKSA-N	-1	3	469.351	0.113	50	0		JCAAHM
CS(=O)(=O)N1CCN(Cc2c([O-])c(CN3CCN(c4ccccc4)CC3)coc2=O)CC1	ZINC000101373016	569794806	/nfs/dbraw/zinc/79/48/06/569794806.db2.gz	DWCCSENXWYEREI-UHFFFAOYSA-N	-1	3	462.572	0.745	50	0		JCAAHM
CS(=O)(=O)N1CCN(Cc2c([O-])occ(CN3CCN(c4ccccc4)CC3)c2=O)CC1	ZINC000101373016	569794804	/nfs/dbraw/zinc/79/48/04/569794804.db2.gz	DWCCSENXWYEREI-UHFFFAOYSA-N	-1	3	462.572	0.745	50	0		JCAAHM
CS(=O)(=O)N1CCN(Cc2c([O-])c(CN3CCN(c4ccc(F)cc4)CC3)coc2=O)CC1	ZINC000101373673	569795105	/nfs/dbraw/zinc/79/51/05/569795105.db2.gz	GMGUUOHJHLJHAN-UHFFFAOYSA-N	-1	3	480.562	0.884	50	0		JCAAHM
CS(=O)(=O)N1CCN(Cc2c([O-])occ(CN3CCN(c4ccc(F)cc4)CC3)c2=O)CC1	ZINC000101373673	569795104	/nfs/dbraw/zinc/79/51/04/569795104.db2.gz	GMGUUOHJHLJHAN-UHFFFAOYSA-N	-1	3	480.562	0.884	50	0		JCAAHM
COc1cccc(N2CCN(Cc3coc(=O)c(CN4CCN(S(C)(=O)=O)CC4)c3[O-])CC2)c1	ZINC000101409892	569797048	/nfs/dbraw/zinc/79/70/48/569797048.db2.gz	XJABYAOWQCUZJC-UHFFFAOYSA-N	-1	3	492.598	0.753	50	0		JCAAHM
COc1cccc(N2CCN(Cc3coc([O-])c(CN4CCN(S(C)(=O)=O)CC4)c3=O)CC2)c1	ZINC000101409892	569797046	/nfs/dbraw/zinc/79/70/46/569797046.db2.gz	XJABYAOWQCUZJC-UHFFFAOYSA-N	-1	3	492.598	0.753	50	0		JCAAHM
CN(C)S(=O)(=O)N1CCN(Cc2c([O-])c(CN3CCc4ccccc4C3)coc2=O)CC1	ZINC000101410092	569797064	/nfs/dbraw/zinc/79/70/64/569797064.db2.gz	JDQKAYKVBXEAFX-UHFFFAOYSA-N	-1	3	462.572	0.828	50	0		JCAAHM
CN(C)S(=O)(=O)N1CCN(Cc2c([O-])occ(CN3CCc4ccccc4C3)c2=O)CC1	ZINC000101410092	569797063	/nfs/dbraw/zinc/79/70/63/569797063.db2.gz	JDQKAYKVBXEAFX-UHFFFAOYSA-N	-1	3	462.572	0.828	50	0		JCAAHM
CN(C)S(=O)(=O)N1CCN(Cc2c([O-])c(CN3CCN(c4ccccc4)CC3)coc2=O)CC1	ZINC000101412543	569797202	/nfs/dbraw/zinc/79/72/02/569797202.db2.gz	URXNOXFKOHBDBK-UHFFFAOYSA-N	-1	3	491.614	0.592	50	0		JCAAHM
CN(C)S(=O)(=O)N1CCN(Cc2c([O-])occ(CN3CCN(c4ccccc4)CC3)c2=O)CC1	ZINC000101412543	569797200	/nfs/dbraw/zinc/79/72/00/569797200.db2.gz	URXNOXFKOHBDBK-UHFFFAOYSA-N	-1	3	491.614	0.592	50	0		JCAAHM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C=O)c([O-])c1	ZINC000105833572	569853499	/nfs/dbraw/zinc/85/34/99/569853499.db2.gz	JWUAYYFDFWJBLD-XDWAVFMPSA-N	-1	3	467.427	0.240	50	0		JCAAHM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C=O)c([O-])c1	ZINC000245255650	570060140	/nfs/dbraw/zinc/06/01/40/570060140.db2.gz	JWUAYYFDFWJBLD-FDKIHUSFSA-N	-1	3	467.427	0.240	50	0		JCAAHM
CC(=O)N[C@@H]1[C@H](Oc2ccc(C=O)c([O-])c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000245255651	570060150	/nfs/dbraw/zinc/06/01/50/570060150.db2.gz	JWUAYYFDFWJBLD-NXNFSMPISA-N	-1	3	467.427	0.240	50	0		JCAAHM
CC(=O)N[C@@H]1[C@H](Oc2ccc(C=O)c([O-])c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000245255652	570060142	/nfs/dbraw/zinc/06/01/42/570060142.db2.gz	JWUAYYFDFWJBLD-VIYGXFRKSA-N	-1	3	467.427	0.240	50	0		JCAAHM
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c([O-])cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253499427	570100994	/nfs/dbraw/zinc/10/09/94/570100994.db2.gz	GWCQPUMHZWNQBC-PJKILVJMSA-N	-1	3	486.477	0.919	50	0	biogenic	JCAAHM
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c([O-])cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253499428	570100957	/nfs/dbraw/zinc/10/09/57/570100957.db2.gz	GWCQPUMHZWNQBC-SMQFJCFBSA-N	-1	3	486.477	0.919	50	0	biogenic	JCAAHM
[O-]c1cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1-c1n[nH]cc1-c1ccc2c(c1)OCCO2	ZINC000253499865	570101048	/nfs/dbraw/zinc/10/10/48/570101048.db2.gz	QBGZOERJUNHHSQ-LCNLMQJVSA-N	-1	3	472.450	0.399	50	0	biogenic	JCAAHM
[O-]c1cc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1-c1n[nH]cc1-c1ccc2c(c1)OCCO2	ZINC000253499866	570101128	/nfs/dbraw/zinc/10/11/28/570101128.db2.gz	QBGZOERJUNHHSQ-LKZJFHPWSA-N	-1	3	472.450	0.399	50	0	biogenic	JCAAHM
CCOC(=O)C=c1sc(=Cc2cc(Cl)c([O-])c(OC)c2)c(=O)n1CC(=O)N1CCOCC1	ZINC000254346026	1070731494	/nfs/dbraw/zinc/73/14/94/1070731494.db2.gz	BNFFVSJONAOGFU-UHFFFAOYSA-N	-1	3	482.942	0.309	50	0		JCAAHM
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N=c1cc(C)[n-]n1[C@H]1CCS(=O)(=O)C1)C=C2	ZINC000334159392	570184400	/nfs/dbraw/zinc/18/44/00/570184400.db2.gz	WFARBCWOSPHQFR-KRWDZBQOSA-N	-1	3	474.539	0.984	50	0		JCAAHM
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N=c1cc(C)[n-]n1[C@@H]1CCS(=O)(=O)C1)C=C2	ZINC000334159393	570184504	/nfs/dbraw/zinc/18/45/04/570184504.db2.gz	WFARBCWOSPHQFR-QGZVFWFLSA-N	-1	3	474.539	0.984	50	0		JCAAHM
O=C(CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)Nc1cccnc1	ZINC000509632082	1068221357	/nfs/dbraw/zinc/22/13/57/1068221357.db2.gz	HGGWZSQRGCYZCD-UHFFFAOYSA-N	-1	3	452.436	0.839	50	0		JCAAHM
CN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000524169276	1070225102	/nfs/dbraw/zinc/22/51/02/1070225102.db2.gz	HNAKRVXFPUMDLV-UHFFFAOYSA-N	-1	3	494.517	0.902	50	0		JCAAHM
CCS(=O)(=O)N1CCC(C(=O)NCc2c3c(c([O-])c4c2CCN(C)C4=O)OCO3)CC1	ZINC000823413085	1069838910	/nfs/dbraw/zinc/83/89/10/1069838910.db2.gz	YBMVGNMHEWMPPL-UHFFFAOYSA-N	-1	3	453.517	0.427	50	0		JCAAHM