smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@H]1CN(c3ccccc3)CCN21	ZINC000016972955	210200067	/nfs/dbraw/zinc/20/00/67/210200067.db2.gz	HEYOILCJVNTJGC-QGZVFWFLSA-N	-1	1	391.431	0.873	50	0		GCAAMM
COC(=O)c1sc(S(=O)(=O)NCCCC(=O)[O-])c(C(=O)OC)c1C	ZINC000001795965	530945241	/nfs/dbraw/zinc/94/52/41/530945241.db2.gz	ZHOILYMEWCDLPD-UHFFFAOYSA-N	-1	1	379.412	0.773	50	0		GCAAMM
O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC000040086566	530979369	/nfs/dbraw/zinc/97/93/69/530979369.db2.gz	SWLKRARIUYQIIO-MRVPVSSYSA-N	-1	1	381.186	0.385	50	0		GCAAMM
COc1cc([C@@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)ccc1OCC(N)=O	ZINC000021785025	204763359	/nfs/dbraw/zinc/76/33/59/204763359.db2.gz	UVVRKVUETWWHOA-VIFPVBQESA-N	-1	1	390.421	0.839	50	0		GCAAMM
O=C([O-])CN1CC2(CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)OC1=O	ZINC000077540336	205365094	/nfs/dbraw/zinc/36/50/94/205365094.db2.gz	RXMDBHOYGPKKSR-UHFFFAOYSA-N	-1	1	385.380	0.983	50	0		GCAAMM
CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1	ZINC000098086788	211380573	/nfs/dbraw/zinc/38/05/73/211380573.db2.gz	WRNLSEHRPSOMSH-UHFFFAOYSA-N	-1	1	383.455	0.381	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccc(O)cc2)C(=O)[O-])CC1	ZINC000072403119	211111925	/nfs/dbraw/zinc/11/19/25/211111925.db2.gz	FQWDECSVJDBGGL-AWEZNQCLSA-N	-1	1	392.456	0.127	50	0		GCAAMM
COc1cccc(C(=O)N2CCC(C(=O)N3CCN(C)[C@H](C(=O)[O-])C3)CC2)c1	ZINC000067678714	211015191	/nfs/dbraw/zinc/01/51/91/211015191.db2.gz	MDJWWPAUWHSTSY-KRWDZBQOSA-N	-1	1	389.452	0.775	50	0		GCAAMM
Cc1cc(=O)[n-]c(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)n1	ZINC000096123978	136183862	/nfs/dbraw/zinc/18/38/62/136183862.db2.gz	HCDGYNHWHHNJBA-UHFFFAOYSA-N	-1	1	381.400	0.716	50	0		GCAAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2c(=O)n(C)c1=O	ZINC000001442296	570220183	/nfs/dbraw/zinc/22/01/83/570220183.db2.gz	LWIKHGZXLFCVJJ-UHFFFAOYSA-N	-1	1	389.389	0.767	50	0		GCAAMM
COCCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1	ZINC000020731388	570277529	/nfs/dbraw/zinc/27/75/29/570277529.db2.gz	KQEPESLWKSJJPQ-GOSISDBHSA-N	-1	1	392.431	0.813	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)c(=O)n(C)c1=O	ZINC000607363034	570305407	/nfs/dbraw/zinc/30/54/07/570305407.db2.gz	QXMWTXPLNCTDRO-CQSZACIVSA-N	-1	1	389.437	0.000	50	0		GCAAMM
O=C(NN1CC(=O)[N-]C1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	ZINC000012972962	570733487	/nfs/dbraw/zinc/73/34/87/570733487.db2.gz	FUDUJRXMWZIEOH-UHFFFAOYSA-N	-1	1	388.405	0.362	50	0		GCAAMM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000018190312	570808141	/nfs/dbraw/zinc/80/81/41/570808141.db2.gz	CSFFTSRVLXCIIG-GHMZBOCLSA-N	-1	1	390.314	0.409	50	0		GCAAMM
COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=NN2C(C)=O)cc1OC	ZINC000101765900	570830671	/nfs/dbraw/zinc/83/06/71/570830671.db2.gz	ZIGKEVDWZIUCIB-GFCCVEGCSA-N	-1	1	388.380	0.494	50	0		GCAAMM
COc1cc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=NN2)cc(OC)c1OC	ZINC000101763577	570833459	/nfs/dbraw/zinc/83/34/59/570833459.db2.gz	XZMKXSXQIUUIPI-VIFPVBQESA-N	-1	1	376.369	0.244	50	0		GCAAMM
Cc1cc(-c2ccc(C(=O)NCc3nn[n-]n3)cc2)nc(N2CCOCC2)n1	ZINC000534650487	570913871	/nfs/dbraw/zinc/91/38/71/570913871.db2.gz	UNCNOQBFPCNRMA-UHFFFAOYSA-N	-1	1	380.412	0.732	50	0		GCAAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O	ZINC000091624781	571018868	/nfs/dbraw/zinc/01/88/68/571018868.db2.gz	XTUDMWBONMLGLX-IBGZPJMESA-N	-1	1	390.440	0.038	50	0		GCAAMM
Cc1nc(C(=O)N2CCN(C)[C@@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)cs1	ZINC000095362281	571055923	/nfs/dbraw/zinc/05/59/23/571055923.db2.gz	NVCKAJHCNPISMK-KRWDZBQOSA-N	-1	1	380.470	0.675	50	0		GCAAMM
C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])n1ccnc1	ZINC000040144811	1200301925	/nfs/dbraw/zinc/30/19/25/1200301925.db2.gz	OSCBYJSPPHBMCT-LBPRGKRZSA-N	-1	1	380.426	0.809	50	0		GCAAMM
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c1	ZINC000474420460	530256037	/nfs/dbraw/zinc/25/60/37/530256037.db2.gz	FRHDTWXVRLRNOS-UHFFFAOYSA-N	-1	1	386.455	0.752	50	0		GCAAMM
NC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[n-]1	ZINC000005082423	530314487	/nfs/dbraw/zinc/31/44/87/530314487.db2.gz	MNARZQLMMGRYEV-UHFFFAOYSA-N	-1	1	388.203	0.537	50	0		GCAAMM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)CSc2nncs2)cc1	ZINC000003457729	530429697	/nfs/dbraw/zinc/42/96/97/530429697.db2.gz	DPYKWMAQMVRVSV-UHFFFAOYSA-N	-1	1	386.480	0.837	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(=O)n(C)c1=O	ZINC000014019992	210099461	/nfs/dbraw/zinc/09/94/61/210099461.db2.gz	YBQMENBJAQEQOS-UHFFFAOYSA-N	-1	1	387.458	0.435	50	0		GCAAMM
O=C(NN1CC(=O)[N-]C1=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC000040086567	530979488	/nfs/dbraw/zinc/97/94/88/530979488.db2.gz	SWLKRARIUYQIIO-QMMMGPOBSA-N	-1	1	381.186	0.385	50	0		GCAAMM
Cc1nc2[n-]cnn2c(=O)c1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000009878666	212076033	/nfs/dbraw/zinc/07/60/33/212076033.db2.gz	KSZSKIZGTXFOTB-UHFFFAOYSA-N	-1	1	389.397	0.130	50	0		GCAAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21	ZINC000299779448	212035526	/nfs/dbraw/zinc/03/55/26/212035526.db2.gz	FSGMJPUZPZGUBV-OZONBXFNSA-N	-1	1	385.420	0.964	50	0		GCAAMM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@H]3CC[C@@H](C(=O)N(C)C)N3)[C@H](C)[C@H]12	ZINC000005736075	204149417	/nfs/dbraw/zinc/14/94/17/204149417.db2.gz	FSTGLKRHSQANLP-PQTSNVLCSA-N	-1	1	383.470	0.040	50	0	world	GCAAMM
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000011903583	204360890	/nfs/dbraw/zinc/36/08/90/204360890.db2.gz	MCABXRRVWBGEAI-UHFFFAOYSA-N	-1	1	380.451	0.637	50	0		GCAAMM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(S(C)(=O)=O)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354454	205014181	/nfs/dbraw/zinc/01/41/81/205014181.db2.gz	KATMAZZWJMSEON-HNNXBMFYSA-N	-1	1	395.437	0.579	50	0		GCAAMM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-]	ZINC000036356939	205014280	/nfs/dbraw/zinc/01/42/80/205014280.db2.gz	KIXHHKSQNCXERV-HNNXBMFYSA-N	-1	1	395.437	0.579	50	0		GCAAMM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(C=O)CC1)cn2CC(=O)[O-]	ZINC000036365754	205015228	/nfs/dbraw/zinc/01/52/28/205015228.db2.gz	FOJQTDAWKWJSFZ-KRWDZBQOSA-N	-1	1	375.381	0.634	50	0		GCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)o1	ZINC000058331247	205173808	/nfs/dbraw/zinc/17/38/08/205173808.db2.gz	QWFPGSDAJCURAU-UHFFFAOYSA-N	-1	1	392.397	0.733	50	0		GCAAMM
CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)Cc3cc(=O)[n-][nH]c3=O)CC[C@H]21	ZINC000072447230	205353151	/nfs/dbraw/zinc/35/31/51/205353151.db2.gz	ADTGALASPSTSEY-DZGCQCFKSA-N	-1	1	376.457	0.904	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2O)C(=O)[O-])CC1	ZINC000072403728	205345452	/nfs/dbraw/zinc/34/54/52/205345452.db2.gz	SHOMCHAXHJQXCF-CQSZACIVSA-N	-1	1	392.456	0.127	50	0		GCAAMM
O=C(CCc1cc2n(n1)CCN(C(=O)c1ncccc1[O-])C2)N1CCOCC1	ZINC000091595487	211197134	/nfs/dbraw/zinc/19/71/34/211197134.db2.gz	LSEWVRSSBNNCDQ-UHFFFAOYSA-N	-1	1	385.424	0.431	50	0		GCAAMM
O=C(NCc1noc(-c2ccccc2)n1)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091440116	211192890	/nfs/dbraw/zinc/19/28/90/211192890.db2.gz	QORJZQPOPOTMKG-UHFFFAOYSA-N	-1	1	378.352	0.802	50	0		GCAAMM
CS(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072481514	211124503	/nfs/dbraw/zinc/12/45/03/211124503.db2.gz	NMVGJBODFSOFLK-QWHCGFSZSA-N	-1	1	394.902	0.288	50	0		GCAAMM
CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])CC1	ZINC000072405877	211114688	/nfs/dbraw/zinc/11/46/88/211114688.db2.gz	UEUVMENDBJJBOA-CYBMUJFWSA-N	-1	1	377.397	0.609	50	0		GCAAMM
Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc(-n3cnnn3)cc1[O-])C2	ZINC000072163393	211079391	/nfs/dbraw/zinc/07/93/91/211079391.db2.gz	RESHYMVTYMRYGU-UHFFFAOYSA-N	-1	1	380.412	0.731	50	0		GCAAMM
CC(=O)N1CCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)[O-])CC1	ZINC000071282112	211041690	/nfs/dbraw/zinc/04/16/90/211041690.db2.gz	AYFLUXSECOYNRN-AWEZNQCLSA-N	-1	1	391.424	0.651	50	0		GCAAMM
COCCNC(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[n-]n21	ZINC000021537452	210386033	/nfs/dbraw/zinc/38/60/33/210386033.db2.gz	VSLPTALBIHKOIY-UHFFFAOYSA-N	-1	1	389.437	0.948	50	0		GCAAMM
O=C(NN1CC(=O)[N-]C1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21	ZINC000025612479	570417074	/nfs/dbraw/zinc/41/70/74/570417074.db2.gz	MGLXLQBRNAHAQB-UHFFFAOYSA-N	-1	1	377.360	0.641	50	0		GCAAMM
Cn1c(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)C4)cc2c1=O	ZINC000045222115	570646707	/nfs/dbraw/zinc/64/67/07/570646707.db2.gz	YHNKZXLLEUSNNO-UHFFFAOYSA-N	-1	1	386.389	0.522	50	0		GCAAMM
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ncccc1[O-]	ZINC000058218229	570721325	/nfs/dbraw/zinc/72/13/25/570721325.db2.gz	TZCSEWRFZAOYHF-UHFFFAOYSA-N	-1	1	377.422	0.738	50	0		GCAAMM
C[C@@H]1Oc2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)ccc2NC1=O	ZINC000252493908	570975336	/nfs/dbraw/zinc/97/53/36/570975336.db2.gz	NGFPZFABZDGWKN-VIFPVBQESA-N	-1	1	397.434	0.854	50	0		GCAAMM
Cc1nc(C(=O)N2CCN(C)[C@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)cs1	ZINC000095362282	571055998	/nfs/dbraw/zinc/05/59/98/571055998.db2.gz	NVCKAJHCNPISMK-QGZVFWFLSA-N	-1	1	380.470	0.675	50	0		GCAAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CCC[C@H](CNC(=O)c2cccs2)C1	ZINC000095505793	571078551	/nfs/dbraw/zinc/07/85/51/571078551.db2.gz	YNBHYDLFWJLFEI-LLVKDONJSA-N	-1	1	376.438	0.748	50	0		GCAAMM
COCCN1C(=O)C(=CNCCn2c(C)nc3ccccc32)C(=O)[N-]C1=S	ZINC000025561800	1196141434	/nfs/dbraw/zinc/14/14/34/1196141434.db2.gz	SZRKBQUFLSNRCP-QBFSEMIESA-N	-1	1	387.465	0.708	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000009039728	1200307653	/nfs/dbraw/zinc/30/76/53/1200307653.db2.gz	BDDCYBSYYYCVPF-UHFFFAOYSA-N	-1	1	384.440	0.950	50	0		GCAAMM
CN1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1=O	ZINC000368237932	530721595	/nfs/dbraw/zinc/72/15/95/530721595.db2.gz	ZLHDRPXFFFYEPP-UHFFFAOYSA-N	-1	1	394.280	0.962	50	0		GCAAMM
CC(=O)Nc1c(O)nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O	ZINC000001117465	209302518	/nfs/dbraw/zinc/30/25/18/209302518.db2.gz	MUJSPIPYVOBUSS-SSDOTTSWSA-N	-1	1	382.829	0.917	50	0		GCAAMM
C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccccc3OCC(N)=O)no2)o1	ZINC000036357599	205013930	/nfs/dbraw/zinc/01/39/30/205013930.db2.gz	UJTCUCFUXPMVMG-UHFFFAOYSA-N	-1	1	378.366	0.769	50	0		GCAAMM
CN(C)Cc1cc2n(n1)CCN(C(=O)c1nn(-c3ccccc3)c(=O)cc1[O-])C2	ZINC000072435608	205351480	/nfs/dbraw/zinc/35/14/80/205351480.db2.gz	FNSHKMDTGMJDKH-UHFFFAOYSA-N	-1	1	394.435	0.852	50	0		GCAAMM
CC(=O)N1CCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])CC1	ZINC000072405878	205345802	/nfs/dbraw/zinc/34/58/02/205345802.db2.gz	UEUVMENDBJJBOA-ZDUSSCGKSA-N	-1	1	377.397	0.609	50	0		GCAAMM
COc1cc2c(cc1CNC(=O)CSc1nc(N)cc(=O)[n-]1)OCCCO2	ZINC000096325040	211334186	/nfs/dbraw/zinc/33/41/86/211334186.db2.gz	YNQSWYRJYJXJMB-UHFFFAOYSA-N	-1	1	392.437	0.931	50	0		GCAAMM
O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[N-]C(=O)c1ccccc1	ZINC000096010103	211294893	/nfs/dbraw/zinc/29/48/93/211294893.db2.gz	HMLATXSFKPWECS-GJZGRUSLSA-N	-1	1	384.388	0.828	50	0		GCAAMM
CCOC(=O)CCS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C	ZINC000095432611	211241307	/nfs/dbraw/zinc/24/13/07/211241307.db2.gz	USAGHLPZAKJWOW-SNVBAGLBSA-N	-1	1	386.434	0.815	50	0		GCAAMM
COc1cccc(C(=O)N2CCC(C(=O)N3CCN(C)[C@@H](C(=O)[O-])C3)CC2)c1	ZINC000067678711	211016203	/nfs/dbraw/zinc/01/62/03/211016203.db2.gz	MDJWWPAUWHSTSY-QGZVFWFLSA-N	-1	1	389.452	0.775	50	0		GCAAMM
Cc1cccc(N2CCN(CC(=O)N3Cc4[nH]cnc4C[C@H]3C(=O)[O-])CC2)c1	ZINC000096166356	136184805	/nfs/dbraw/zinc/18/48/05/136184805.db2.gz	GPPBXVSASQEUIE-SFHVURJKSA-N	-1	1	383.452	0.878	50	0		GCAAMM
O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)CCN1	ZINC000244673891	526332013	/nfs/dbraw/zinc/33/20/13/526332013.db2.gz	HXONDWKHWKLYOY-UMVBOHGHSA-N	-1	1	388.424	0.304	50	0		GCAAMM
O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000020677142	570274985	/nfs/dbraw/zinc/27/49/85/570274985.db2.gz	QDICUQNSTBEPQP-LJQANCHMSA-N	-1	1	386.452	0.770	50	0		GCAAMM
COCCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1	ZINC000020723868	570276639	/nfs/dbraw/zinc/27/66/39/570276639.db2.gz	QZNBRLUPVGAJNI-IBGZPJMESA-N	-1	1	388.468	0.982	50	0		GCAAMM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218151514	570326623	/nfs/dbraw/zinc/32/66/23/570326623.db2.gz	VWBJKTMONVVFTH-NWDGAFQWSA-N	-1	1	381.458	0.192	50	0		GCAAMM
Cn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)cn1	ZINC000575617684	570361668	/nfs/dbraw/zinc/36/16/68/570361668.db2.gz	VWHLQMUYSKBIIL-UHFFFAOYSA-N	-1	1	388.409	0.833	50	0		GCAAMM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(S(C)(=O)=O)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359986	570642554	/nfs/dbraw/zinc/64/25/54/570642554.db2.gz	HCROCZODVXRRHU-HNNXBMFYSA-N	-1	1	395.437	0.579	50	0		GCAAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)n1	ZINC000253536436	570734265	/nfs/dbraw/zinc/73/42/65/570734265.db2.gz	FSVXSEIYDDFGRE-SNVBAGLBSA-N	-1	1	377.430	0.074	50	0		GCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000013624648	570763355	/nfs/dbraw/zinc/76/33/55/570763355.db2.gz	GXIXUONVCDBJJS-ZIAGYGMSSA-N	-1	1	381.406	0.014	50	0		GCAAMM
C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-n2ccnc2)cc1	ZINC000007322705	570829647	/nfs/dbraw/zinc/82/96/47/570829647.db2.gz	OHJVAUHFBABSTM-GFCCVEGCSA-N	-1	1	389.437	0.309	50	0		GCAAMM
CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C)c2=O)C[C@H]1c1ccc2c(c1)OCO2	ZINC000101766207	570830950	/nfs/dbraw/zinc/83/09/50/570830950.db2.gz	XIOAAZFGBUMPOH-NSHDSACASA-N	-1	1	386.364	0.596	50	0		GCAAMM
CC(=O)N1CCN(C(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[n-]3)c2C)CC1	ZINC000016849625	570914777	/nfs/dbraw/zinc/91/47/77/570914777.db2.gz	MPQLKWXONYNONM-UHFFFAOYSA-N	-1	1	386.456	0.504	50	0		GCAAMM
COc1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C(=O)[O-])cc1OC	ZINC000044667895	570976448	/nfs/dbraw/zinc/97/64/48/570976448.db2.gz	NLSJOEVWLWQENC-UHFFFAOYSA-N	-1	1	383.382	0.640	50	0		GCAAMM
CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091474439	571009908	/nfs/dbraw/zinc/00/99/08/571009908.db2.gz	PGGYJNIRYUMVAK-UHFFFAOYSA-N	-1	1	382.359	0.697	50	0		GCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)n1	ZINC000011438515	571045925	/nfs/dbraw/zinc/04/59/25/571045925.db2.gz	PSBWEVXJVXWDFY-UHFFFAOYSA-N	-1	1	395.441	0.188	50	0		GCAAMM
CCOC(=O)CCS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C	ZINC000095432610	1199869314	/nfs/dbraw/zinc/86/93/14/1199869314.db2.gz	USAGHLPZAKJWOW-JTQLQIEISA-N	-1	1	386.434	0.815	50	0		GCAAMM
CCS(=O)(=O)CCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1	ZINC000095501859	530241765	/nfs/dbraw/zinc/24/17/65/530241765.db2.gz	HKWIIZMPPLFVNM-UHFFFAOYSA-N	-1	1	379.460	0.623	50	0		GCAAMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC(n2ccnn2)C1	ZINC000365609205	530507617	/nfs/dbraw/zinc/50/76/17/530507617.db2.gz	MDRGCLLGMKOILY-UHFFFAOYSA-N	-1	1	390.252	0.947	50	0		GCAAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21	ZINC000014339560	210115418	/nfs/dbraw/zinc/11/54/18/210115418.db2.gz	KHZHJWRXTQJWTR-UHFFFAOYSA-N	-1	1	397.435	0.833	50	0		GCAAMM
COc1ccc2[nH]c(C)c(CC[N-]S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2c1	ZINC000001087962	209299456	/nfs/dbraw/zinc/29/94/56/209299456.db2.gz	UAIWBWUCFKDRPU-UHFFFAOYSA-N	-1	1	392.437	0.691	50	0	biogenic,in-vitro	GCAAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2n(C)c(=O)c1=O	ZINC000004885234	204086850	/nfs/dbraw/zinc/08/68/50/204086850.db2.gz	NLHNTDDEFQJNRN-UHFFFAOYSA-N	-1	1	389.389	0.767	50	0		GCAAMM
C[N@H+]1CCN(Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)C[C@@H]1C(=O)[O-]	ZINC000067714174	205256453	/nfs/dbraw/zinc/25/64/53/205256453.db2.gz	LARDJTJURATDCS-OAHLLOKOSA-N	-1	1	391.453	0.478	50	0		GCAAMM
O=C(CN1C[C@H]2C(=O)N(CC3CC3)C[C@@]2(C(=O)[O-])C1)NCc1cccs1	ZINC000077287412	205356563	/nfs/dbraw/zinc/35/65/63/205356563.db2.gz	VGBGLBXXWMFUDP-KSSFIOAISA-N	-1	1	377.466	0.619	50	0		GCAAMM
Cc1nnc(C[N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)o1	ZINC000097729622	211370663	/nfs/dbraw/zinc/37/06/63/211370663.db2.gz	XHIIKWHWNKCUGH-GFCCVEGCSA-N	-1	1	380.426	0.623	50	0		GCAAMM
COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N)nc(C)c1CCC(=O)[O-])C2	ZINC000095374032	211229749	/nfs/dbraw/zinc/22/97/49/211229749.db2.gz	APSWPWLVXVQDNG-QWHCGFSZSA-N	-1	1	377.445	0.458	50	0		GCAAMM
Cc1cc(C)n(CC2(CNC(=O)c3cnc(Cn4cncn4)[n-]c3=O)CC2)n1	ZINC000091849371	211207473	/nfs/dbraw/zinc/20/74/73/211207473.db2.gz	CICWWCKQCPFKGI-UHFFFAOYSA-N	-1	1	382.428	0.846	50	0		GCAAMM
NC(=O)c1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Cc2ncccn2)C3)cc1	ZINC000067786063	211021569	/nfs/dbraw/zinc/02/15/69/211021569.db2.gz	NOVBLWXFMHMMDL-UHFFFAOYSA-N	-1	1	390.403	0.453	50	0		GCAAMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccnc1-n1cncn1	ZINC000048309015	570232320	/nfs/dbraw/zinc/23/23/20/570232320.db2.gz	YJSLTXBDYAMPFR-UHFFFAOYSA-N	-1	1	377.386	0.041	50	0		GCAAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000012832091	570264041	/nfs/dbraw/zinc/26/40/41/570264041.db2.gz	VFIYHTVJINFVMN-UHFFFAOYSA-N	-1	1	398.423	0.656	50	0		GCAAMM
O=C(NN1CC(=O)NC1=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000012948226	570317374	/nfs/dbraw/zinc/31/73/74/570317374.db2.gz	LZMKSLKRLINXRT-UHFFFAOYSA-N	-1	1	392.368	0.823	50	0		GCAAMM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218151283	570326602	/nfs/dbraw/zinc/32/66/02/570326602.db2.gz	VWBJKTMONVVFTH-NEPJUHHUSA-N	-1	1	381.458	0.192	50	0		GCAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@](C)(O)CO)c2)cc1	ZINC000225554554	570587338	/nfs/dbraw/zinc/58/73/38/570587338.db2.gz	JVYCDIQCFVIAOP-GOSISDBHSA-N	-1	1	394.449	0.969	50	0		GCAAMM
O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1cnc(N3CCOCC3)s1)CC2	ZINC000244647115	570694164	/nfs/dbraw/zinc/69/41/64/570694164.db2.gz	GVKQFCMCYLXLCT-CYBMUJFWSA-N	-1	1	380.470	0.535	50	0		GCAAMM
C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2NC1=O	ZINC000012508392	570824177	/nfs/dbraw/zinc/82/41/77/570824177.db2.gz	ZXKZLCIUBOQEQS-VIFPVBQESA-N	-1	1	397.434	0.854	50	0		GCAAMM
CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C)c2=O)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000101766213	570831407	/nfs/dbraw/zinc/83/14/07/570831407.db2.gz	XIOAAZFGBUMPOH-LLVKDONJSA-N	-1	1	386.364	0.596	50	0		GCAAMM
COC(=O)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1	ZINC000170618499	570875445	/nfs/dbraw/zinc/87/54/45/570875445.db2.gz	PCONFGGUOXVPJQ-PWSUYJOCSA-N	-1	1	393.421	0.999	50	0		GCAAMM
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000252538445	570992187	/nfs/dbraw/zinc/99/21/87/570992187.db2.gz	NBKSVWZXFCHSGD-HNNXBMFYSA-N	-1	1	383.408	0.971	50	0		GCAAMM
O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnc(COc2ccc(F)cc2)[n-]c1=O	ZINC000091745572	571028986	/nfs/dbraw/zinc/02/89/86/571028986.db2.gz	OJTXLMAPPUUUCK-NSHDSACASA-N	-1	1	379.369	0.941	50	0		GCAAMM
CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091860900	571034132	/nfs/dbraw/zinc/03/41/32/571034132.db2.gz	AVZJFTXZZJRSFE-HNNXBMFYSA-N	-1	1	384.396	0.723	50	0		GCAAMM
Cc1cccc(Nc2nc(N)nc(C[N@@H+]3C[C@@]4(C(=O)[O-])C[C@@]4(C(=O)[O-])C3)n2)c1	ZINC001772700311	1187630413	/nfs/dbraw/zinc/63/04/13/1187630413.db2.gz	CEPLIWYIRYUIRH-HDICACEKSA-N	-1	1	384.396	0.867	50	0		GCAAMM
Cc1cccc(Nc2nc(N)nc(C[N@H+]3C[C@@]4(C(=O)[O-])C[C@@]4(C(=O)[O-])C3)n2)c1	ZINC001772700311	1187630415	/nfs/dbraw/zinc/63/04/15/1187630415.db2.gz	CEPLIWYIRYUIRH-HDICACEKSA-N	-1	1	384.396	0.867	50	0		GCAAMM
Cc1c(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(=O)oc2cc(O)cc([O-])c12	ZINC000009486555	1200385082	/nfs/dbraw/zinc/38/50/82/1200385082.db2.gz	FFSQNCNKZHDWPF-KRWDZBQOSA-N	-1	1	381.406	0.749	50	0		GCAAMM
CC[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000018094220	210213240	/nfs/dbraw/zinc/21/32/40/210213240.db2.gz	MKJDJJSJILOYSN-JTQLQIEISA-N	-1	1	383.455	0.509	50	0		GCAAMM
Cn1c(N)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O	ZINC000004339471	530134011	/nfs/dbraw/zinc/13/40/11/530134011.db2.gz	QMZIHCDAEKPUBL-UHFFFAOYSA-N	-1	1	379.225	0.774	50	0		GCAAMM
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1	ZINC000016039545	530141073	/nfs/dbraw/zinc/14/10/73/530141073.db2.gz	KKENWBQNIKXNLC-UHFFFAOYSA-N	-1	1	383.455	0.333	50	0		GCAAMM
O=C(Cn1c(=O)[n-]n(-c2ccccc2)c1=O)N1CCN(c2ccccc2)CC1	ZINC000003347700	204000370	/nfs/dbraw/zinc/00/03/70/204000370.db2.gz	ZYJOYRBHZJUGLL-UHFFFAOYSA-N	-1	1	379.420	0.676	50	0		GCAAMM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc(C(N)=O)c1	ZINC000006471689	204180023	/nfs/dbraw/zinc/18/00/23/204180023.db2.gz	FGXBQSAHRZXTCD-UHFFFAOYSA-N	-1	1	377.378	0.456	50	0		GCAAMM
CCN1c2nc3c(C)cccn3c(=O)c2C[C@]2(C(=O)[N-]C(=O)N(C)C2=O)[C@@H]1C	ZINC000009348043	204308601	/nfs/dbraw/zinc/30/86/01/204308601.db2.gz	HVYYKFZGMDEBOL-JEOXALJRSA-N	-1	1	383.408	0.468	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])CC1	ZINC000061721465	205183150	/nfs/dbraw/zinc/18/31/50/205183150.db2.gz	KPZYIUHDNAYTFT-CQSZACIVSA-N	-1	1	394.447	0.561	50	0		GCAAMM
Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@@H+](C)C2)CC1	ZINC000072165102	205315915	/nfs/dbraw/zinc/31/59/15/205315915.db2.gz	NOEGFMJFSPGULC-LBPRGKRZSA-N	-1	1	385.442	0.283	50	0		GCAAMM
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)[N-]C(=O)c1ccco1	ZINC000031709794	206089431	/nfs/dbraw/zinc/08/94/31/206089431.db2.gz	KIBOYUIDEZCHBF-UHFFFAOYSA-N	-1	1	379.394	0.182	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc3C2)c(=O)n(C)c1=O	ZINC000097654030	211369677	/nfs/dbraw/zinc/36/96/77/211369677.db2.gz	MFBZOVZMIRPVQV-LBPRGKRZSA-N	-1	1	379.438	0.004	50	0		GCAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)CCCn1cnc2ccccc2c1=O	ZINC000096162629	211314809	/nfs/dbraw/zinc/31/48/09/211314809.db2.gz	SJQHFDVSPKMKQJ-INIZCTEOSA-N	-1	1	381.392	0.938	50	0		GCAAMM
CC(C)[C@@H]1CN(Cc2ccc(O)c(C(=O)[O-])c2)C[C@H]1NS(=O)(=O)N(C)C	ZINC000095382582	211232175	/nfs/dbraw/zinc/23/21/75/211232175.db2.gz	WDQSUHPLBNKJNS-LSDHHAIUSA-N	-1	1	385.486	0.943	50	0		GCAAMM
CCc1noc(C[N-]S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)n1	ZINC000095367440	211226941	/nfs/dbraw/zinc/22/69/41/211226941.db2.gz	HYQLOMCYVHCTSW-UHFFFAOYSA-N	-1	1	380.426	0.583	50	0		GCAAMM
CN1C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)c2sccc2S1(=O)=O	ZINC000091645967	211201553	/nfs/dbraw/zinc/20/15/53/211201553.db2.gz	DEYZTDYVTPIDPX-JTQLQIEISA-N	-1	1	380.451	0.814	50	0		GCAAMM
O=C([O-])COc1ccccc1CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1	ZINC000077388025	211132339	/nfs/dbraw/zinc/13/23/39/211132339.db2.gz	TWWNJRKQTIHWQT-NVXWUHKLSA-N	-1	1	385.420	0.910	50	0		GCAAMM
O=C(NCc1ccccc1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000019961125	570233815	/nfs/dbraw/zinc/23/38/15/570233815.db2.gz	VWZMTQLGUOTSAC-CYBMUJFWSA-N	-1	1	383.408	0.349	50	0		GCAAMM
O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000020677137	570275106	/nfs/dbraw/zinc/27/51/06/570275106.db2.gz	QDICUQNSTBEPQP-IBGZPJMESA-N	-1	1	386.452	0.770	50	0		GCAAMM
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccc(=O)[nH]c1	ZINC000022024208	570302168	/nfs/dbraw/zinc/30/21/68/570302168.db2.gz	UVKWHUIFURFTQF-UHFFFAOYSA-N	-1	1	379.394	0.354	50	0		GCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cncn2)o1	ZINC000025151792	570407164	/nfs/dbraw/zinc/40/71/64/570407164.db2.gz	SUSNBOQCAXMJDW-UHFFFAOYSA-N	-1	1	375.410	0.758	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2)C(=O)[O-])CC1	ZINC000061720047	570502630	/nfs/dbraw/zinc/50/26/30/570502630.db2.gz	QOVNOOYJYIQFIX-HNNXBMFYSA-N	-1	1	376.457	0.422	50	0		GCAAMM
O=C(NN1CC(=O)[N-]C1=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	ZINC000012983432	570736647	/nfs/dbraw/zinc/73/66/47/570736647.db2.gz	GFXCYXQPSLXRLL-UHFFFAOYSA-N	-1	1	378.344	0.679	50	0		GCAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cc1	ZINC000032915887	570926861	/nfs/dbraw/zinc/92/68/61/570926861.db2.gz	RELCJGPCMCHTPB-UHFFFAOYSA-N	-1	1	390.421	0.661	50	0		GCAAMM
COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000015365596	570931518	/nfs/dbraw/zinc/93/15/18/570931518.db2.gz	CXEKSHZBIZJRIO-JTQLQIEISA-N	-1	1	383.426	0.141	50	0		GCAAMM
O=C(NCc1ccccc1-n1cccn1)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000092022546	571041465	/nfs/dbraw/zinc/04/14/65/571041465.db2.gz	LTZWQWMHCSXRHJ-UHFFFAOYSA-N	-1	1	376.380	0.938	50	0		GCAAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1	ZINC000011443525	571046075	/nfs/dbraw/zinc/04/60/75/571046075.db2.gz	BCRMJNYRMNOSEL-QMMMGPOBSA-N	-1	1	379.442	0.478	50	0		GCAAMM
Cc1sc2nc(CS[C@@H](C)C(=O)NN3CC(=O)[N-]C3=O)[nH]c(=O)c2c1C	ZINC000039978559	1200296174	/nfs/dbraw/zinc/29/61/74/1200296174.db2.gz	MSRMXSPMCFVEDY-QMMMGPOBSA-N	-1	1	395.466	0.806	50	0		GCAAMM
Cc1sc2nc(CS[C@H](C)C(=O)NN3CC(=O)[N-]C3=O)[nH]c(=O)c2c1C	ZINC000039978560	1200296566	/nfs/dbraw/zinc/29/65/66/1200296566.db2.gz	MSRMXSPMCFVEDY-MRVPVSSYSA-N	-1	1	395.466	0.806	50	0		GCAAMM
COCCN1C[C@]2(CCCN(C(=O)NCCCc3nn[n-]n3)C2)CCC1=O	ZINC000426604218	231245128	/nfs/dbraw/zinc/24/51/28/231245128.db2.gz	DLARZZFNMLGRTR-KRWDZBQOSA-N	-1	1	379.465	0.193	50	0		GCAAMM
CC(=O)Nc1c(O)nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O	ZINC000002751208	530116853	/nfs/dbraw/zinc/11/68/53/530116853.db2.gz	MUJSPIPYVOBUSS-ZETCQYMHSA-N	-1	1	382.829	0.917	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000009038666	209248770	/nfs/dbraw/zinc/24/87/70/209248770.db2.gz	RTRGNTRELGWJLU-GHMZBOCLSA-N	-1	1	388.428	0.455	50	0		GCAAMM
CCOC(=O)c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c1=O	ZINC000009483717	204312928	/nfs/dbraw/zinc/31/29/28/204312928.db2.gz	QAXZVJUATMQWSF-UHFFFAOYSA-N	-1	1	386.408	0.998	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O	ZINC000009722732	204322636	/nfs/dbraw/zinc/32/26/36/204322636.db2.gz	AZTMGPQRJLVLOR-UHFFFAOYSA-N	-1	1	377.344	0.581	50	0		GCAAMM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1	ZINC000012525873	204418387	/nfs/dbraw/zinc/41/83/87/204418387.db2.gz	IRYWEFYNQIWLEN-UHFFFAOYSA-N	-1	1	384.435	0.755	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccc(O)cc2)C(=O)[O-])CC1	ZINC000072403118	205345785	/nfs/dbraw/zinc/34/57/85/205345785.db2.gz	FQWDECSVJDBGGL-CQSZACIVSA-N	-1	1	392.456	0.127	50	0		GCAAMM
Cc1[nH]nc(-n2cnnc2)c1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000096861590	211349560	/nfs/dbraw/zinc/34/95/60/211349560.db2.gz	BIXOSLXIRJDAAQ-UHFFFAOYSA-N	-1	1	388.413	0.290	50	0		GCAAMM
CNc1snc(C)c1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C	ZINC000095981282	211290633	/nfs/dbraw/zinc/29/06/33/211290633.db2.gz	IWUMJQDGORECTP-UHFFFAOYSA-N	-1	1	391.500	0.260	50	0		GCAAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CCC[C@@H](CNC(=O)c2cccs2)C1	ZINC000095505792	211257244	/nfs/dbraw/zinc/25/72/44/211257244.db2.gz	YNBHYDLFWJLFEI-NSHDSACASA-N	-1	1	376.438	0.748	50	0		GCAAMM
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000095374772	211229777	/nfs/dbraw/zinc/22/97/77/211229777.db2.gz	QFQALOGZKCQSJP-UHFFFAOYSA-N	-1	1	377.364	0.877	50	0		GCAAMM
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCCc1nn[n-]n1)CO2	ZINC000071761137	136166245	/nfs/dbraw/zinc/16/62/45/136166245.db2.gz	HVBNOGPEYNAMNI-ZDUSSCGKSA-N	-1	1	387.444	0.238	50	0		GCAAMM
CS(=O)(=O)N1CCN(c2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CC1	ZINC000095524046	136181447	/nfs/dbraw/zinc/18/14/47/136181447.db2.gz	VUTUXKOQCGZMTE-UHFFFAOYSA-N	-1	1	376.438	0.335	50	0		GCAAMM
O=C(c1ncccc1[O-])N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000072477608	222266082	/nfs/dbraw/zinc/26/60/82/222266082.db2.gz	VPOKTCFYDLNUCZ-CABCVRRESA-N	-1	1	388.449	0.306	50	0		GCAAMM
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])N1CCc2nc[nH]c2C1	ZINC000096148582	570214381	/nfs/dbraw/zinc/21/43/81/570214381.db2.gz	KAXARVCXOMUVLT-UHFFFAOYSA-N	-1	1	392.437	0.335	50	0		GCAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)CCCn1cnc2ccccc2c1=O	ZINC000096162628	570217084	/nfs/dbraw/zinc/21/70/84/570217084.db2.gz	SJQHFDVSPKMKQJ-MRXNPFEDSA-N	-1	1	381.392	0.938	50	0		GCAAMM
C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2)C[C@]12CCC(=O)N(CC(=O)[O-])CC2	ZINC000107413393	570260954	/nfs/dbraw/zinc/26/09/54/570260954.db2.gz	NXUHZIIENBOOPU-HXUWFJFHSA-N	-1	1	388.468	0.369	50	0		GCAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1	ZINC000034878666	570342707	/nfs/dbraw/zinc/34/27/07/570342707.db2.gz	WDZXJFMOOIDHQR-UHFFFAOYSA-N	-1	1	393.377	0.392	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c(=O)n(C)c1=O	ZINC000024345432	570382509	/nfs/dbraw/zinc/38/25/09/570382509.db2.gz	VWLKXIOHQNDLGK-MRXNPFEDSA-N	-1	1	386.433	0.547	50	0		GCAAMM
NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000003282852	570850846	/nfs/dbraw/zinc/85/08/46/570850846.db2.gz	KKVSOOOZTMRLDL-UHFFFAOYSA-N	-1	1	392.389	0.901	50	0		GCAAMM
CN1CCN([C@H]2CCN(S(=O)(=O)c3cccnc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091325561	571003466	/nfs/dbraw/zinc/00/34/66/571003466.db2.gz	PCBMBRVPNFMMEJ-WBVHZDCISA-N	-1	1	396.513	0.573	50	0		GCAAMM
Cn1cc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)ccc1=O	ZINC000091792894	571030727	/nfs/dbraw/zinc/03/07/27/571030727.db2.gz	LZCCAXMLLDJSLK-ZBFHGGJFSA-N	-1	1	377.441	0.413	50	0		GCAAMM
COCC(=O)N[C@]1(C)CCOC2(CCN(C(=O)c3cncc([O-])c3)CC2)[C@H]1O	ZINC001772704493	1187641006	/nfs/dbraw/zinc/64/10/06/1187641006.db2.gz	NIFAQNLQXQGNOT-ZWKOTPCHSA-N	-1	1	393.440	0.065	50	0		GCAAMM
O=C(Cc1ccsc1)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(CO)C1	ZINC001772704880	1187642377	/nfs/dbraw/zinc/64/23/77/1187642377.db2.gz	UHWYUOOAGPGMQX-AUUYWEPGSA-N	-1	1	387.461	0.984	50	0		GCAAMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1F	ZINC000226743981	1199953336	/nfs/dbraw/zinc/95/33/36/1199953336.db2.gz	MBHMSRKCCTWICY-UHFFFAOYSA-N	-1	1	381.385	0.850	50	0		GCAAMM
CCN1c2nc3c(C)cccn3c(=O)c2C[C@@]2(C(=O)[N-]C(=O)N(C)C2=O)[C@H]1C	ZINC000016973432	210199903	/nfs/dbraw/zinc/19/99/03/210199903.db2.gz	HVYYKFZGMDEBOL-WYRIXSBYSA-N	-1	1	383.408	0.468	50	0		GCAAMM
CCOC(=O)[C@]([N-]c1ccc(S(N)(=O)=O)cc1)(NC(C)=O)C(F)(F)F	ZINC000001650022	530115197	/nfs/dbraw/zinc/11/51/97/530115197.db2.gz	GKZSWWHNNZBILW-GFCCVEGCSA-N	-1	1	383.348	0.704	50	0		GCAAMM
NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000012521044	530351951	/nfs/dbraw/zinc/35/19/51/530351951.db2.gz	JYMIAJMGCZBHGS-UHFFFAOYSA-N	-1	1	382.423	0.446	50	0		GCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)n1	ZINC000011443586	209873006	/nfs/dbraw/zinc/87/30/06/209873006.db2.gz	HQZDAAAOPQVEHJ-UHFFFAOYSA-N	-1	1	379.442	0.952	50	0		GCAAMM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(C=O)CC1)cn2CC(=O)[O-]	ZINC000036365755	205015028	/nfs/dbraw/zinc/01/50/28/205015028.db2.gz	FOJQTDAWKWJSFZ-QGZVFWFLSA-N	-1	1	375.381	0.634	50	0		GCAAMM
NC(=O)c1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)C(=O)c2ccco2)C3)cc1	ZINC000067713578	205256993	/nfs/dbraw/zinc/25/69/93/205256993.db2.gz	IZYMDRXQIOQKHE-UHFFFAOYSA-N	-1	1	392.371	0.896	50	0		GCAAMM
O=C(c1ncccc1[O-])N1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1	ZINC000067713197	205257687	/nfs/dbraw/zinc/25/76/87/205257687.db2.gz	VLYPARQIDUSZDT-DZGCQCFKSA-N	-1	1	376.413	0.155	50	0		GCAAMM
COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3nn[n-]n3)cc2)CC1	ZINC000095501422	211253537	/nfs/dbraw/zinc/25/35/37/211253537.db2.gz	FUQLDZTZJIJPCO-GFCCVEGCSA-N	-1	1	388.428	0.707	50	0		GCAAMM
CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-n3cnnn3)cc1[O-])C2	ZINC000095356751	211221109	/nfs/dbraw/zinc/22/11/09/211221109.db2.gz	SDXJCIQQWZEPMY-GXTWGEPZSA-N	-1	1	385.428	0.586	50	0		GCAAMM
CC(=O)Nc1cccc(NC(=O)C[C@@H](CN2CCN(C(C)=O)CC2)C(=O)[O-])c1	ZINC000072406396	211114950	/nfs/dbraw/zinc/11/49/50/211114950.db2.gz	LURWRWSOTWUXQV-HNNXBMFYSA-N	-1	1	390.440	0.839	50	0		GCAAMM
O=C([O-])COc1ccccc1CN1CCN[C@H](C(=O)NCc2ccncc2)C1	ZINC000072164756	211079217	/nfs/dbraw/zinc/07/92/17/211079217.db2.gz	LPTQQXWXUTYNJI-KRWDZBQOSA-N	-1	1	384.436	0.635	50	0		GCAAMM
Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ncccc2[O-])CC1	ZINC000096149524	570214992	/nfs/dbraw/zinc/21/49/92/570214992.db2.gz	SFEXRHHXCFYPJK-UHFFFAOYSA-N	-1	1	386.456	0.768	50	0		GCAAMM
CCS(=O)(=O)Nc1ccc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])cc1	ZINC000096149357	570215032	/nfs/dbraw/zinc/21/50/32/570215032.db2.gz	XKLORQKUKFAFKI-CQSZACIVSA-N	-1	1	378.410	0.823	50	0		GCAAMM
CNC(=O)CSc1nc(CC(=O)NCc2cccc(OC)c2)cc(=O)[n-]1	ZINC000022629638	570268160	/nfs/dbraw/zinc/26/81/60/570268160.db2.gz	VAJNGUUDIYSITP-UHFFFAOYSA-N	-1	1	376.438	0.888	50	0		GCAAMM
COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)c1c([O-])nc2ccccn2c1=O	ZINC000205956188	570340875	/nfs/dbraw/zinc/34/08/75/570340875.db2.gz	GEDRREHBKQMUDS-CQSZACIVSA-N	-1	1	397.387	0.959	50	0		GCAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)n1	ZINC000006173455	570470782	/nfs/dbraw/zinc/47/07/82/570470782.db2.gz	RTTDHQGWVPUJOV-UHFFFAOYSA-N	-1	1	394.478	0.661	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2)C(=O)[O-])CC1	ZINC000061720046	570502437	/nfs/dbraw/zinc/50/24/37/570502437.db2.gz	QOVNOOYJYIQFIX-OAHLLOKOSA-N	-1	1	376.457	0.422	50	0		GCAAMM
COCCNC(=O)CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1	ZINC000022697041	570529707	/nfs/dbraw/zinc/52/97/07/570529707.db2.gz	DLYUBTOIFCIERS-UHFFFAOYSA-N	-1	1	393.469	0.885	50	0		GCAAMM
CCOC(=O)Cc1csc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)n1	ZINC000101715747	570829682	/nfs/dbraw/zinc/82/96/82/570829682.db2.gz	DZXDSGKFEBBVDG-UHFFFAOYSA-N	-1	1	390.425	0.859	50	0		GCAAMM
COc1ccccc1OC1CN(C(=O)c2cnc(Cn3cncn3)[n-]c2=O)C1	ZINC000091950633	571037605	/nfs/dbraw/zinc/03/76/05/571037605.db2.gz	NUGBBAXWPARTDX-UHFFFAOYSA-N	-1	1	382.380	0.734	50	0		GCAAMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000630226297	601103739	/nfs/dbraw/zinc/10/37/39/601103739.db2.gz	WRXGWCGGMVNEFH-CVEARBPZSA-N	-1	1	380.489	0.922	50	0		GCAAMM
COc1ccccc1CNC(=O)CN1C[C@@H]2CN(C(C)=O)C[C@]2(C(=O)[O-])C1	ZINC000096167059	1187359537	/nfs/dbraw/zinc/35/95/37/1187359537.db2.gz	TZQLWVDUKQQLPL-DNVCBOLYSA-N	-1	1	375.425	0.176	50	0		GCAAMM
COc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[n-]2)cc1	ZINC000009037384	1200307424	/nfs/dbraw/zinc/30/74/24/1200307424.db2.gz	ZGZBFBBKJDMMFS-UHFFFAOYSA-N	-1	1	396.407	0.836	50	0		GCAAMM
Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@@H]1CN(c3ccccc3)CCN21	ZINC000009109712	1200318995	/nfs/dbraw/zinc/31/89/95/1200318995.db2.gz	HEYOILCJVNTJGC-KRWDZBQOSA-N	-1	1	391.431	0.873	50	0		GCAAMM
COc1ccccc1N1CCN(C(=O)CSc2nc(N)cc(=O)[n-]2)CC1	ZINC000018240387	210218513	/nfs/dbraw/zinc/21/85/13/210218513.db2.gz	SMDJECDTRPAQFQ-UHFFFAOYSA-N	-1	1	375.454	0.802	50	0		GCAAMM
Cc1cc(N2C[C@@H](C(=O)NN3CC(=O)[N-]C3=O)CC2=O)ccc1Br	ZINC000029023808	530128206	/nfs/dbraw/zinc/12/82/06/530128206.db2.gz	LFOBJGNFBCMTPI-VIFPVBQESA-N	-1	1	395.213	0.693	50	0		GCAAMM
Cc1c(S(=O)(=O)[N-]c2ccc(Br)cc2)c(=O)n(C)c(=O)n1C	ZINC000004270170	530942805	/nfs/dbraw/zinc/94/28/05/530942805.db2.gz	QZERLYHGRVDUDH-UHFFFAOYSA-N	-1	1	388.243	0.956	50	0		GCAAMM
COC(=O)Cc1cc(=O)[n-]c(SCC(=O)NCCCn2nc(C)cc2C)n1	ZINC000007030005	204230875	/nfs/dbraw/zinc/23/08/75/204230875.db2.gz	BLODKYDFFKHYLX-UHFFFAOYSA-N	-1	1	393.469	0.597	50	0		GCAAMM
O=C(c1ncccc1[O-])N1CCN(C(=O)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000072480709	205355018	/nfs/dbraw/zinc/35/50/18/205355018.db2.gz	SVQDWLGTQHSVBP-OLZOCXBDSA-N	-1	1	379.438	0.037	50	0		GCAAMM
O=CN1CCN(C[C@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)[O-])CC1	ZINC000072406048	205345043	/nfs/dbraw/zinc/34/50/43/205345043.db2.gz	LMKIRRBOBSLRAF-NSHDSACASA-N	-1	1	388.346	0.904	50	0		GCAAMM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000252538448	206143264	/nfs/dbraw/zinc/14/32/64/206143264.db2.gz	NBKSVWZXFCHSGD-OAHLLOKOSA-N	-1	1	383.408	0.971	50	0		GCAAMM
COc1ccc(NC(=O)NCCc2nnc(N)s2)cc1[N-]S(C)(=O)=O	ZINC000096133595	211304475	/nfs/dbraw/zinc/30/44/75/211304475.db2.gz	CJNSHZWGOXYVLN-UHFFFAOYSA-N	-1	1	386.459	0.865	50	0		GCAAMM
CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091860904	211208205	/nfs/dbraw/zinc/20/82/05/211208205.db2.gz	AVZJFTXZZJRSFE-OAHLLOKOSA-N	-1	1	384.396	0.723	50	0		GCAAMM
COc1cc([C@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)ccc1OCC(N)=O	ZINC000021785027	210394133	/nfs/dbraw/zinc/39/41/33/210394133.db2.gz	UVVRKVUETWWHOA-SECBINFHSA-N	-1	1	390.421	0.839	50	0		GCAAMM
Cc1cccc(N2CCN(CC(=O)N3Cc4[nH]cnc4C[C@@H]3C(=O)[O-])CC2)c1	ZINC000096166355	136184932	/nfs/dbraw/zinc/18/49/32/136184932.db2.gz	GPPBXVSASQEUIE-GOSISDBHSA-N	-1	1	383.452	0.878	50	0		GCAAMM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218151440	570326575	/nfs/dbraw/zinc/32/65/75/570326575.db2.gz	VWBJKTMONVVFTH-RYUDHWBXSA-N	-1	1	381.458	0.192	50	0		GCAAMM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1	ZINC000023371612	570357473	/nfs/dbraw/zinc/35/74/73/570357473.db2.gz	ZDKHZUHUYYJTHM-UHFFFAOYSA-N	-1	1	395.418	0.421	50	0		GCAAMM
O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1cnn(C[C@H]2CCCCO2)c1	ZINC000390828983	570358549	/nfs/dbraw/zinc/35/85/49/570358549.db2.gz	VNEBBQGGQOQMGJ-CQSZACIVSA-N	-1	1	384.458	0.733	50	0		GCAAMM
CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C(F)(F)F)N1CCOCCO	ZINC000001803600	570816585	/nfs/dbraw/zinc/81/65/85/570816585.db2.gz	AVCVYQFHLRTFSI-UHFFFAOYSA-N	-1	1	391.371	0.488	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)c(=O)n(C)c1=O	ZINC000012522830	570829133	/nfs/dbraw/zinc/82/91/33/570829133.db2.gz	XUVRLLRDACWHFK-UHFFFAOYSA-N	-1	1	376.438	0.407	50	0		GCAAMM
COCCNC(=O)CSc1nc(CC(=O)NCc2cccs2)cc(=O)[n-]1	ZINC000023145318	570919891	/nfs/dbraw/zinc/91/98/91/570919891.db2.gz	SWHRLJUHINKDDF-UHFFFAOYSA-N	-1	1	396.494	0.957	50	0		GCAAMM
CCOC(=O)c1ccc(NC(=O)CSc2nc(CC(N)=O)cc(=O)[n-]2)cc1	ZINC000023145216	570919907	/nfs/dbraw/zinc/91/99/07/570919907.db2.gz	ZGCFQZACJNRMTH-UHFFFAOYSA-N	-1	1	390.421	0.705	50	0		GCAAMM
Cn1cccc1C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091550669	571014420	/nfs/dbraw/zinc/01/44/20/571014420.db2.gz	XHRLIKLYJRUVKO-CVEARBPZSA-N	-1	1	390.484	0.537	50	0		GCAAMM
CCN1CCN(CC(=O)N2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)CC1	ZINC000091563444	571014881	/nfs/dbraw/zinc/01/48/81/571014881.db2.gz	FQJZSJNOMGKUQJ-DLBZAZTESA-N	-1	1	375.469	0.959	50	0		GCAAMM
COCCn1cnnc1CNC(=O)c1cnc(-c2csc(C)n2)[n-]c1=O	ZINC000091645314	571022053	/nfs/dbraw/zinc/02/20/53/571022053.db2.gz	GZEMHLHVMPYLCN-UHFFFAOYSA-N	-1	1	375.414	0.782	50	0		GCAAMM
CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1	ZINC000011443526	571046065	/nfs/dbraw/zinc/04/60/65/571046065.db2.gz	BCRMJNYRMNOSEL-MRVPVSSYSA-N	-1	1	379.442	0.478	50	0		GCAAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc2c(c(OC)c1)OCO2	ZINC000253470818	1198967644	/nfs/dbraw/zinc/96/76/44/1198967644.db2.gz	FZVSJYXKXSNLMX-SNVBAGLBSA-N	-1	1	391.380	0.553	50	0		GCAAMM
COCCNC(=O)CSc1nc(N)c(NC(=O)c2ccccc2F)c(=O)[n-]1	ZINC000013116807	1199759234	/nfs/dbraw/zinc/75/92/34/1199759234.db2.gz	ZABDDRPFZOMVHC-UHFFFAOYSA-N	-1	1	395.416	0.598	50	0		GCAAMM
Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CCn1nnc2ccccc2c1=O	ZINC000096013330	1199893355	/nfs/dbraw/zinc/89/33/55/1199893355.db2.gz	UVHDLBKCZRWFPQ-UHFFFAOYSA-N	-1	1	395.379	0.007	50	0		GCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1	ZINC000009712264	1200397549	/nfs/dbraw/zinc/39/75/49/1200397549.db2.gz	GFLMPCACXLGLOM-UHFFFAOYSA-N	-1	1	377.426	0.877	50	0		GCAAMM
CC[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@H](CC)CO	ZINC000003466569	530430742	/nfs/dbraw/zinc/43/07/42/530430742.db2.gz	UNJMRZHCCOQXJU-HTQZYQBOSA-N	-1	1	382.301	0.667	50	0		GCAAMM
O=C1CCCC(=O)N1CC[N-]S(=O)(=O)c1ncccc1Br	ZINC000585091883	530842191	/nfs/dbraw/zinc/84/21/91/530842191.db2.gz	ZSILWNHLJWCZSN-UHFFFAOYSA-N	-1	1	376.232	0.662	50	0		GCAAMM
CCOC(=O)[C@@]([N-]c1ccc(S(N)(=O)=O)cc1)(NC(C)=O)C(F)(F)F	ZINC000002050625	206396350	/nfs/dbraw/zinc/39/63/50/206396350.db2.gz	GKZSWWHNNZBILW-LBPRGKRZSA-N	-1	1	383.348	0.704	50	0		GCAAMM
CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000018094218	207093079	/nfs/dbraw/zinc/09/30/79/207093079.db2.gz	MKJDJJSJILOYSN-SNVBAGLBSA-N	-1	1	383.455	0.509	50	0		GCAAMM
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000018190313	207093314	/nfs/dbraw/zinc/09/33/14/207093314.db2.gz	CSFFTSRVLXCIIG-MNOVXSKESA-N	-1	1	390.314	0.409	50	0		GCAAMM
COCCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1	ZINC000020723864	207211512	/nfs/dbraw/zinc/21/15/12/207211512.db2.gz	QZNBRLUPVGAJNI-LJQANCHMSA-N	-1	1	388.468	0.982	50	0		GCAAMM
CN1CC2(CCN(C(=O)c3nn(-c4ccccc4)c([O-])cc3=O)CC2)OC1=O	ZINC000072409224	208016633	/nfs/dbraw/zinc/01/66/33/208016633.db2.gz	MZYHLFFMMJBPRZ-UHFFFAOYSA-N	-1	1	384.392	0.995	50	0		GCAAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CC[C@@]2(C1)CCCN(C1CCOCC1)C2=O	ZINC000091624780	208127136	/nfs/dbraw/zinc/12/71/36/208127136.db2.gz	XTUDMWBONMLGLX-LJQANCHMSA-N	-1	1	390.440	0.038	50	0		GCAAMM
O=C(CCc1ccc([O-])c(Cl)c1)N1CCN(C(=O)CN2CCOCC2)CC1	ZINC000095468984	208189938	/nfs/dbraw/zinc/18/99/38/208189938.db2.gz	OGFCMDNXYOYBQB-UHFFFAOYSA-N	-1	1	395.887	0.981	50	0		GCAAMM
COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3nn[n-]n3)cc2)CC1	ZINC000095501421	208201778	/nfs/dbraw/zinc/20/17/78/208201778.db2.gz	FUQLDZTZJIJPCO-LBPRGKRZSA-N	-1	1	388.428	0.707	50	0		GCAAMM
COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=NN2C(C)=O)cc1OC	ZINC000101765897	208397883	/nfs/dbraw/zinc/39/78/83/208397883.db2.gz	ZIGKEVDWZIUCIB-LBPRGKRZSA-N	-1	1	388.380	0.494	50	0		GCAAMM
O=C(Cn1ccccc1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000025402080	208881142	/nfs/dbraw/zinc/88/11/42/208881142.db2.gz	NFMNPMFGXLLUPN-UHFFFAOYSA-N	-1	1	377.422	0.977	50	0		GCAAMM
CCCc1cc(=O)[n-]c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1	ZINC000016047391	221356149	/nfs/dbraw/zinc/35/61/49/221356149.db2.gz	XLCNWLQAWANNBO-UHFFFAOYSA-N	-1	1	390.469	0.652	50	0		GCAAMM
CCn1cc(C(=O)N2CCc3c(nc(-c4ccc(C(N)=O)cc4)[n-]c3=O)C2)cn1	ZINC000071751425	222191211	/nfs/dbraw/zinc/19/12/11/222191211.db2.gz	AOSRZFJHWMPGQU-UHFFFAOYSA-N	-1	1	392.419	0.951	50	0		GCAAMM
Cc1nc(CN(C)Cc2cc3n(n2)CCN(C(=O)c2ncccc2[O-])C3)no1	ZINC000072476515	222265162	/nfs/dbraw/zinc/26/51/62/222265162.db2.gz	XIEPXEXGKSKUHJ-UHFFFAOYSA-N	-1	1	383.412	0.963	50	0		GCAAMM
Cn1nnn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1=O	ZINC000077100107	222272413	/nfs/dbraw/zinc/27/24/13/222272413.db2.gz	LSSLRAGTLPURQQ-UHFFFAOYSA-N	-1	1	389.393	0.538	50	0		GCAAMM
O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)[N-]C(=O)c1ccccc1	ZINC000012948122	570317280	/nfs/dbraw/zinc/31/72/80/570317280.db2.gz	JKWAUFCODRZPSJ-UHFFFAOYSA-N	-1	1	390.417	0.855	50	0		GCAAMM
O=C(COC(=O)CCNS(=O)(=O)c1cccs1)[N-]C(=O)c1ccccc1	ZINC000005971445	570810676	/nfs/dbraw/zinc/81/06/76/570810676.db2.gz	PZSYNDMENCECEY-UHFFFAOYSA-N	-1	1	396.446	0.916	50	0		GCAAMM
CCc1noc(C[N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)n1	ZINC000095352712	571050492	/nfs/dbraw/zinc/05/04/92/571050492.db2.gz	VMYOCEMDCUIUNN-GFCCVEGCSA-N	-1	1	380.426	0.629	50	0		GCAAMM
CNC(=O)c1noc(C[N-]S(=O)(=O)c2cccc(C(=O)NC(C)C)c2)n1	ZINC000095385562	571069844	/nfs/dbraw/zinc/06/98/44/571069844.db2.gz	UQZCSEALVZMKDK-UHFFFAOYSA-N	-1	1	381.414	0.046	50	0		GCAAMM
O=C(Cc1ccsc1)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(CO)C1	ZINC001772704891	1187642055	/nfs/dbraw/zinc/64/20/55/1187642055.db2.gz	UHWYUOOAGPGMQX-KUHUBIRLSA-N	-1	1	387.461	0.984	50	0		GCAAMM
O=C(Cc1ccsc1)N1CCCN(C(=O)Cc2cc(=O)[n-][nH]c2=O)CC1	ZINC001772710615	1187653663	/nfs/dbraw/zinc/65/36/63/1187653663.db2.gz	CKCVYCIXNCEBTR-UHFFFAOYSA-N	-1	1	376.438	0.795	50	0		GCAAMM
COCCN1C(=O)C(=CNCCNc2ccccc2[N+](=O)[O-])C(=O)[N-]C1=S	ZINC000025561783	1196141571	/nfs/dbraw/zinc/14/15/71/1196141571.db2.gz	HACPBQDOSJZKKX-KHPPLWFESA-N	-1	1	393.425	0.370	50	0		GCAAMM
COCCN1C[C@@]2(CCCN(C(=O)NCCCc3nn[n-]n3)C2)CCC1=O	ZINC000426604219	231245616	/nfs/dbraw/zinc/24/56/16/231245616.db2.gz	DLARZZFNMLGRTR-QGZVFWFLSA-N	-1	1	379.465	0.193	50	0		GCAAMM
COc1cc2c(cc1NS(C)(=O)=O)c(C(=O)[O-])c(C)n2S(C)(=O)=O	ZINC000006142930	530121543	/nfs/dbraw/zinc/12/15/43/530121543.db2.gz	ZWSSUMMBJMJFQJ-UHFFFAOYSA-N	-1	1	376.412	0.836	50	0		GCAAMM
Cc1cc(N2C[C@H](C(=O)NN3CC(=O)[N-]C3=O)CC2=O)ccc1Br	ZINC000029023811	530128559	/nfs/dbraw/zinc/12/85/59/530128559.db2.gz	LFOBJGNFBCMTPI-SECBINFHSA-N	-1	1	395.213	0.693	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]CCSCc2ccsc2)c(=O)n(C)c1=O	ZINC000009048442	530980929	/nfs/dbraw/zinc/98/09/29/530980929.db2.gz	HGHULGTZINNUOV-UHFFFAOYSA-N	-1	1	375.497	0.357	50	0		GCAAMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1	ZINC000004727363	206548541	/nfs/dbraw/zinc/54/85/41/206548541.db2.gz	XXPQPLALOMRYEG-GFCCVEGCSA-N	-1	1	395.462	0.738	50	0		GCAAMM
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[N-]C(=O)c2ccco2)c1	ZINC000031646350	207384999	/nfs/dbraw/zinc/38/49/99/207384999.db2.gz	ABXAIJNAMIMDNW-UHFFFAOYSA-N	-1	1	381.410	0.428	50	0		GCAAMM
Cc1cccn2c(=O)cc(CN3CCC4(CC3)[C@@H](C(=O)[O-])CC(=O)N4C)nc12	ZINC000095369955	208166220	/nfs/dbraw/zinc/16/62/20/208166220.db2.gz	QQFDVOOCNXFKIB-OAHLLOKOSA-N	-1	1	384.436	0.900	50	0		GCAAMM
COc1ccc(NC(=O)NCCOc2nonc2C)cc1[N-]S(C)(=O)=O	ZINC000096148947	208276502	/nfs/dbraw/zinc/27/65/02/208276502.db2.gz	JCGNSQMVWGWSJK-UHFFFAOYSA-N	-1	1	385.402	0.959	50	0		GCAAMM
Cc1ccc2nc(CN3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)[O-])C3)[nH]c2c1	ZINC000096136452	208268496	/nfs/dbraw/zinc/26/84/96/208268496.db2.gz	MOHRCXNJLYXXAB-SJKOYZFVSA-N	-1	1	378.454	0.649	50	0		GCAAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)n1	ZINC000253536435	209044132	/nfs/dbraw/zinc/04/41/32/209044132.db2.gz	FSVXSEIYDDFGRE-JTQLQIEISA-N	-1	1	377.430	0.074	50	0		GCAAMM
O=C(COC(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)NC1CCCC1	ZINC000010901106	221107943	/nfs/dbraw/zinc/10/79/43/221107943.db2.gz	GFEKJUYGYWVCSU-UHFFFAOYSA-N	-1	1	394.371	0.984	50	0		GCAAMM
O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[N-]C(=O)c1ccccc1	ZINC000013074960	221260563	/nfs/dbraw/zinc/26/05/63/221260563.db2.gz	HMLATXSFKPWECS-HUUCEWRRSA-N	-1	1	384.388	0.828	50	0		GCAAMM
Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)NCCN1CCOCC1	ZINC000016849567	221371732	/nfs/dbraw/zinc/37/17/32/221371732.db2.gz	MYDSVJTYOPIEQE-UHFFFAOYSA-N	-1	1	388.472	0.262	50	0		GCAAMM
CCN1CCN(c2ncc(-c3cc(=O)n4nc(COC)[n-]c4n3)c(C)n2)CC1	ZINC000101450481	136189825	/nfs/dbraw/zinc/18/98/25/136189825.db2.gz	YCFPEFCJSBWHIF-UHFFFAOYSA-N	-1	1	384.444	0.471	50	0		GCAAMM
COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000061721702	222062463	/nfs/dbraw/zinc/06/24/63/222062463.db2.gz	JMBYNCTVQBVYKX-LBPRGKRZSA-N	-1	1	397.453	0.728	50	0		GCAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c(C)nc3c(c(=O)[nH]n3C)c2C)o1	ZINC000072285340	222220319	/nfs/dbraw/zinc/22/03/19/222220319.db2.gz	DPRPZGGFJKWGSP-UHFFFAOYSA-N	-1	1	393.425	0.310	50	0		GCAAMM
O=CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)[O-])CC1	ZINC000072406049	222256073	/nfs/dbraw/zinc/25/60/73/222256073.db2.gz	LMKIRRBOBSLRAF-LLVKDONJSA-N	-1	1	388.346	0.904	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)c(=O)n(C)c1=O	ZINC000024345425	570382327	/nfs/dbraw/zinc/38/23/27/570382327.db2.gz	VWLKXIOHQNDLGK-INIZCTEOSA-N	-1	1	386.433	0.547	50	0		GCAAMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)cc1	ZINC000004727364	570398420	/nfs/dbraw/zinc/39/84/20/570398420.db2.gz	XXPQPLALOMRYEG-LBPRGKRZSA-N	-1	1	395.462	0.738	50	0		GCAAMM
O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)CCN1	ZINC000244673892	570433153	/nfs/dbraw/zinc/43/31/53/570433153.db2.gz	HXONDWKHWKLYOY-YDHLFZDLSA-N	-1	1	388.424	0.304	50	0		GCAAMM
COCCNC(=O)c1cnc(N2CCN(Cc3ccc(F)cc3)CC2)[n-]c1=O	ZINC000036314124	570612345	/nfs/dbraw/zinc/61/23/45/570612345.db2.gz	IYAZNWMYLVTJCF-UHFFFAOYSA-N	-1	1	389.431	0.607	50	0		GCAAMM
C[N-]S(=O)(=O)c1ccc(-c2nc(-c3cccc(OCC(N)=O)c3)no2)o1	ZINC000036357242	570637454	/nfs/dbraw/zinc/63/74/54/570637454.db2.gz	SVDZUKPXEYWFCS-UHFFFAOYSA-N	-1	1	378.366	0.769	50	0		GCAAMM
CSc1ncc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c(=O)[n-]1	ZINC000299771818	570894037	/nfs/dbraw/zinc/89/40/37/570894037.db2.gz	VLECDXGXNAALPI-IMODNSLOSA-N	-1	1	381.454	0.533	50	0		GCAAMM
C[C@H]1Oc2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)ccc2NC1=O	ZINC000252493907	570975357	/nfs/dbraw/zinc/97/53/57/570975357.db2.gz	NGFPZFABZDGWKN-SECBINFHSA-N	-1	1	397.434	0.854	50	0		GCAAMM
O=C(NCCN1CCNC1=O)c1cnc(COc2ccc(F)cc2)[n-]c1=O	ZINC000091411961	571006517	/nfs/dbraw/zinc/00/65/17/571006517.db2.gz	QSAMJSKETAQSCB-UHFFFAOYSA-N	-1	1	375.360	0.655	50	0		GCAAMM
CC(C)(C)c1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)[n-]1	ZINC000091586727	571015955	/nfs/dbraw/zinc/01/59/55/571015955.db2.gz	AMIBCNQUBZLWDM-UHFFFAOYSA-N	-1	1	378.454	0.687	50	0		GCAAMM
O=C(NCCc1cnn(-c2ccccc2)c1)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091848817	571033041	/nfs/dbraw/zinc/03/30/41/571033041.db2.gz	PDYDUUHZTCCYEG-UHFFFAOYSA-N	-1	1	390.407	0.980	50	0		GCAAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC)c(OC)c1	ZINC000253470723	1198967925	/nfs/dbraw/zinc/96/79/25/1198967925.db2.gz	BKZFNWRQSNLQMK-NSHDSACASA-N	-1	1	377.397	0.833	50	0		GCAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NC[C@@H]2CCCO2)n1	ZINC000009038055	212162707	/nfs/dbraw/zinc/16/27/07/212162707.db2.gz	KISRERKKEQRWEW-ZDUSSCGKSA-N	-1	1	388.428	0.450	50	0		GCAAMM
O=C(CCNC(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1)N1CCOCC1	ZINC000097013787	212157813	/nfs/dbraw/zinc/15/78/13/212157813.db2.gz	XPUVMNGVNQWJDR-SDNWHVSQSA-N	-1	1	389.433	0.989	50	0		GCAAMM
CN(C)C(=O)N1CC[C@H]2CN(C(=O)c3nn(-c4ccccc4)c([O-])cc3=O)C[C@H]21	ZINC000082097168	208079993	/nfs/dbraw/zinc/07/99/93/208079993.db2.gz	BGLUYUVEZGQMES-DZGCQCFKSA-N	-1	1	397.435	0.766	50	0		GCAAMM
CCc1noc(C[N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCOC3)c2)n1	ZINC000095352713	208158146	/nfs/dbraw/zinc/15/81/46/208158146.db2.gz	VMYOCEMDCUIUNN-LBPRGKRZSA-N	-1	1	380.426	0.629	50	0		GCAAMM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]CCOC12CC3CC(CC(C3)C1)C2	ZINC000004110473	220682505	/nfs/dbraw/zinc/68/25/05/220682505.db2.gz	WXIITVMMXUUBJN-UHFFFAOYSA-N	-1	1	383.470	0.635	50	0		GCAAMM
CCN(CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1	ZINC000008747443	221055197	/nfs/dbraw/zinc/05/51/97/221055197.db2.gz	DLAAIGOZHZTLNQ-UHFFFAOYSA-N	-1	1	380.470	0.279	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C)C2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000013010622	221256959	/nfs/dbraw/zinc/25/69/59/221256959.db2.gz	RTRGNTRELGWJLU-PHIMTYICSA-N	-1	1	388.428	0.867	50	0		GCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000013624644	221276631	/nfs/dbraw/zinc/27/66/31/221276631.db2.gz	GXIXUONVCDBJJS-KGLIPLIRSA-N	-1	1	381.406	0.014	50	0		GCAAMM
COc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1	ZINC000013570075	221273984	/nfs/dbraw/zinc/27/39/84/221273984.db2.gz	FWXUNTOJXKGVNP-MRVPVSSYSA-N	-1	1	384.439	0.545	50	0		GCAAMM
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCCc1nn[n-]n1)CO2	ZINC000071761138	136166091	/nfs/dbraw/zinc/16/60/91/136166091.db2.gz	HVBNOGPEYNAMNI-CYBMUJFWSA-N	-1	1	387.444	0.238	50	0		GCAAMM
COc1ccccc1C1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000058209573	222046000	/nfs/dbraw/zinc/04/60/00/222046000.db2.gz	BRTBXJCFMRBJGJ-UHFFFAOYSA-N	-1	1	379.438	0.103	50	0		GCAAMM
CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCCN(S(C)(=O)=O)CC1)C2	ZINC000067805892	222161823	/nfs/dbraw/zinc/16/18/23/222161823.db2.gz	YFLPJJDTVAZODR-ZDUSSCGKSA-N	-1	1	384.502	0.816	50	0		GCAAMM
CC(=O)Nc1cccc(NC(=O)C[C@H](CN2CCN(C(C)=O)CC2)C(=O)[O-])c1	ZINC000072406397	222255720	/nfs/dbraw/zinc/25/57/20/222255720.db2.gz	LURWRWSOTWUXQV-OAHLLOKOSA-N	-1	1	390.440	0.839	50	0		GCAAMM
CC(C)CC(=O)N1CCN(C(=O)c2ncccc2[O-])[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072419904	222258163	/nfs/dbraw/zinc/25/81/63/222258163.db2.gz	GXISFHULXQFRLH-OLZOCXBDSA-N	-1	1	381.454	0.283	50	0		GCAAMM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218151359	570326663	/nfs/dbraw/zinc/32/66/63/570326663.db2.gz	VWBJKTMONVVFTH-VXGBXAGGSA-N	-1	1	381.458	0.192	50	0		GCAAMM
C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-n2ccnc2)cc1	ZINC000007322703	570332545	/nfs/dbraw/zinc/33/25/45/570332545.db2.gz	OHJVAUHFBABSTM-LBPRGKRZSA-N	-1	1	389.437	0.309	50	0		GCAAMM
COC(=O)c1ccccc1NC(=O)C[C@@H](CN1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000061721584	570504775	/nfs/dbraw/zinc/50/47/75/570504775.db2.gz	XZUNYZQDDMEEBA-AWEZNQCLSA-N	-1	1	391.424	0.667	50	0		GCAAMM
Cn1c2nc(SCc3nn[n-]n3)n(Cc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009546470	570559312	/nfs/dbraw/zinc/55/93/12/570559312.db2.gz	VQECGWFDWCAQFP-UHFFFAOYSA-N	-1	1	384.425	0.287	50	0		GCAAMM
NS(=O)(=O)c1ccc(CCNC(=O)c2c([O-])nc3ccccn3c2=O)cc1	ZINC000009830221	570561839	/nfs/dbraw/zinc/56/18/39/570561839.db2.gz	OHLMQWUAIBJHBZ-UHFFFAOYSA-N	-1	1	388.405	0.020	50	0		GCAAMM
O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCN1	ZINC000032631747	570712013	/nfs/dbraw/zinc/71/20/13/570712013.db2.gz	NHVVAGYKTLFYOC-UHFFFAOYSA-N	-1	1	395.462	0.608	50	0		GCAAMM
C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2NC1=O	ZINC000012508395	570824196	/nfs/dbraw/zinc/82/41/96/570824196.db2.gz	ZXKZLCIUBOQEQS-SECBINFHSA-N	-1	1	397.434	0.854	50	0		GCAAMM
COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=NN2C(C)=O)c1	ZINC000101765909	570830785	/nfs/dbraw/zinc/83/07/85/570830785.db2.gz	BGUNAGBYXLNFMZ-CYBMUJFWSA-N	-1	1	388.380	0.494	50	0		GCAAMM
COC(=O)c1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1	ZINC000170618496	570875487	/nfs/dbraw/zinc/87/54/87/570875487.db2.gz	PCONFGGUOXVPJQ-CMPLNLGQSA-N	-1	1	393.421	0.999	50	0		GCAAMM
COC(=O)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)n1	ZINC000170618497	570875571	/nfs/dbraw/zinc/87/55/71/570875571.db2.gz	PCONFGGUOXVPJQ-ZYHUDNBSSA-N	-1	1	393.421	0.999	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2F)C(=O)[O-])CC1	ZINC000071288021	570889416	/nfs/dbraw/zinc/88/94/16/570889416.db2.gz	JBAQVVWDFHSQCP-CQSZACIVSA-N	-1	1	394.447	0.561	50	0		GCAAMM
O=C([O-])CC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CC[C@@H]1N1CCOCC1	ZINC000091616578	571017601	/nfs/dbraw/zinc/01/76/01/571017601.db2.gz	IZMIRZICZFNXPN-PBHICJAKSA-N	-1	1	387.440	0.986	50	0		GCAAMM
O=C([O-])CC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CC[C@@H]1N1CCOCC1	ZINC000091679756	571025696	/nfs/dbraw/zinc/02/56/96/571025696.db2.gz	UDNYNNIONYHONM-CJNGLKHVSA-N	-1	1	376.457	0.926	50	0		GCAAMM
CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccccc3OCC(=O)[O-])C[C@@H]2C1	ZINC000095362928	571056452	/nfs/dbraw/zinc/05/64/52/571056452.db2.gz	CUMZTMFMOQIZAS-CRAIPNDOSA-N	-1	1	398.481	0.368	50	0		GCAAMM
Cc1cccn2c(=O)cc(CN3CCC4(CC3)[C@H](C(=O)[O-])CC(=O)N4C)nc12	ZINC000095369954	571060297	/nfs/dbraw/zinc/06/02/97/571060297.db2.gz	QQFDVOOCNXFKIB-HNNXBMFYSA-N	-1	1	384.436	0.900	50	0		GCAAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2c(c(OC)c1)OCO2	ZINC000253470816	1198967431	/nfs/dbraw/zinc/96/74/31/1198967431.db2.gz	FZVSJYXKXSNLMX-JTQLQIEISA-N	-1	1	391.380	0.553	50	0		GCAAMM
COc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1	ZINC000013570073	530135985	/nfs/dbraw/zinc/13/59/85/530135985.db2.gz	FWXUNTOJXKGVNP-QMMMGPOBSA-N	-1	1	384.439	0.545	50	0		GCAAMM
Cc1c(CC[N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c2ccccc2n1C	ZINC000001088002	212216938	/nfs/dbraw/zinc/21/69/38/212216938.db2.gz	QCEFHZFZNHMHFC-UHFFFAOYSA-N	-1	1	376.438	0.693	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000009039725	212162318	/nfs/dbraw/zinc/16/23/18/212162318.db2.gz	IAUXRJLZLHTWLV-LLVKDONJSA-N	-1	1	384.440	0.950	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)NCc2ccco2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000009039893	212162028	/nfs/dbraw/zinc/16/20/28/212162028.db2.gz	BHRLUEPFTPBWTD-UHFFFAOYSA-N	-1	1	382.380	0.601	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)NCc2ccc(F)cc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000009037379	206305571	/nfs/dbraw/zinc/30/55/71/206305571.db2.gz	HESFLCOQEUVMEZ-UHFFFAOYSA-N	-1	1	384.371	0.966	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)c(=O)n(C)c1=O	ZINC000014019995	207007425	/nfs/dbraw/zinc/00/74/25/207007425.db2.gz	QTFGQBAKKWXXCK-UHFFFAOYSA-N	-1	1	389.433	0.595	50	0		GCAAMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)C(N)=O)c(OC)c1	ZINC000095461690	208189066	/nfs/dbraw/zinc/18/90/66/208189066.db2.gz	WOJYPBHFYHGDPA-SNVBAGLBSA-N	-1	1	393.487	0.341	50	0		GCAAMM
CC(=O)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)cc1	ZINC000095981283	208248974	/nfs/dbraw/zinc/24/89/74/208248974.db2.gz	ZORMIPRVIXGEPY-UHFFFAOYSA-N	-1	1	383.451	0.656	50	0		GCAAMM
O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1cnc(N3CCOCC3)s1)CC2	ZINC000244647116	209022798	/nfs/dbraw/zinc/02/27/98/209022798.db2.gz	GVKQFCMCYLXLCT-ZDUSSCGKSA-N	-1	1	380.470	0.535	50	0		GCAAMM
O=C(NN1CC(=O)NC1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000012526008	221202019	/nfs/dbraw/zinc/20/20/19/221202019.db2.gz	DCZRYRFSIZFFIK-UHFFFAOYSA-N	-1	1	392.368	0.823	50	0		GCAAMM
O=C([O-])COc1ccccc1CN1CCN[C@@H](C(=O)NCc2ccncc2)C1	ZINC000072164757	222215051	/nfs/dbraw/zinc/21/50/51/222215051.db2.gz	LPTQQXWXUTYNJI-QGZVFWFLSA-N	-1	1	384.436	0.635	50	0		GCAAMM
Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1	ZINC000072165101	222215375	/nfs/dbraw/zinc/21/53/75/222215375.db2.gz	NOEGFMJFSPGULC-GFCCVEGCSA-N	-1	1	385.442	0.283	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2O)C(=O)[O-])CC1	ZINC000072403729	222253527	/nfs/dbraw/zinc/25/35/27/222253527.db2.gz	SHOMCHAXHJQXCF-AWEZNQCLSA-N	-1	1	392.456	0.127	50	0		GCAAMM
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ncccc1[O-])CC2	ZINC000095501866	222333656	/nfs/dbraw/zinc/33/36/56/222333656.db2.gz	QYUVGAKNEQRGOR-UHFFFAOYSA-N	-1	1	385.424	0.673	50	0		GCAAMM
COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ncccc1[O-])CC2	ZINC000095501866	222333661	/nfs/dbraw/zinc/33/36/61/222333661.db2.gz	QYUVGAKNEQRGOR-UHFFFAOYSA-N	-1	1	385.424	0.673	50	0		GCAAMM
O=C(c1cnc(Cn2cncn2)[n-]c1=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000091305767	534768299	/nfs/dbraw/zinc/76/82/99/534768299.db2.gz	PVFCZJHOPABSHR-UHFFFAOYSA-N	-1	1	385.428	0.297	50	0		GCAAMM
NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]Cc3ccco3)o2)CC1	ZINC000035597407	570399925	/nfs/dbraw/zinc/39/99/25/570399925.db2.gz	QEFAIEXZESIDAG-UHFFFAOYSA-N	-1	1	381.410	0.689	50	0		GCAAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NC4=O)cc2n(C)c1=O	ZINC000005034808	570403600	/nfs/dbraw/zinc/40/36/00/570403600.db2.gz	XQWDVFZOZFSZTQ-UHFFFAOYSA-N	-1	1	386.389	0.561	50	0		GCAAMM
O=C(NCc1ccccc1)c1cnc(N2CCN(c3ncccn3)CC2)[n-]c1=O	ZINC000036314062	570612276	/nfs/dbraw/zinc/61/22/76/570612276.db2.gz	MINWLPDCXJMBQV-UHFFFAOYSA-N	-1	1	391.435	0.817	50	0		GCAAMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000630226299	601103916	/nfs/dbraw/zinc/10/39/16/601103916.db2.gz	WRXGWCGGMVNEFH-HOTGVXAUSA-N	-1	1	380.489	0.922	50	0		GCAAMM
COCCN1C(=O)C(=CNN=c2nc[nH]c3sccc32)C(=O)[N-]C1=S	ZINC000009165015	641892300	/nfs/dbraw/zinc/89/23/00/641892300.db2.gz	AFCAUALOQDPAQA-RMKNXTFCSA-N	-1	1	378.439	0.381	50	0		GCAAMM
Cc1c(C=NNC(=O)c2cc(Br)ccc2[O-])c(=O)n(C)c(=O)n1C	ZINC000012729596	641894159	/nfs/dbraw/zinc/89/41/59/641894159.db2.gz	FRBFHLSIUUMUJW-UHFFFAOYSA-N	-1	1	395.213	0.624	50	0		GCAAMM
O=C(Cc1ccsc1)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(CO)C1	ZINC001772704893	1187642344	/nfs/dbraw/zinc/64/23/44/1187642344.db2.gz	UHWYUOOAGPGMQX-LIRRHRJNSA-N	-1	1	387.461	0.984	50	0		GCAAMM
O=C(CNC(=O)c1ncccc1[O-])N1CCCN(Cc2cscn2)CC1	ZINC000095441958	1199869747	/nfs/dbraw/zinc/86/97/47/1199869747.db2.gz	JAKAVQIEURKENR-UHFFFAOYSA-N	-1	1	375.454	0.708	50	0		GCAAMM
CC(=O)Nc1nc(SCC(N)=O)[n-]c(=O)c1NC(=O)c1ccc(F)cc1	ZINC000004248923	1200161409	/nfs/dbraw/zinc/16/14/09/1200161409.db2.gz	YHFPQDURYWWRMY-UHFFFAOYSA-N	-1	1	379.373	0.697	50	0		GCAAMM
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1nc2ccccc2c(=O)[n-]1	ZINC000375842759	1201207310	/nfs/dbraw/zinc/20/73/10/1201207310.db2.gz	WQTXFKCQXZPNBL-LLVKDONJSA-N	-1	1	376.438	0.610	50	0		GCAAMM
CC[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO	ZINC000003466558	530430462	/nfs/dbraw/zinc/43/04/62/530430462.db2.gz	UNJMRZHCCOQXJU-YUMQZZPRSA-N	-1	1	382.301	0.667	50	0		GCAAMM
COc1ccccc1CNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[n-]1	ZINC000009037388	212162612	/nfs/dbraw/zinc/16/26/12/212162612.db2.gz	ATHVCCQXGNKFNU-UHFFFAOYSA-N	-1	1	396.407	0.836	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000009038670	212162618	/nfs/dbraw/zinc/16/26/18/212162618.db2.gz	RTRGNTRELGWJLU-QWRGUYRKSA-N	-1	1	388.428	0.455	50	0		GCAAMM
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000043769757	212118565	/nfs/dbraw/zinc/11/85/65/212118565.db2.gz	OSJXLGYGTAWHGU-UKRRQHHQSA-N	-1	1	390.465	0.677	50	0		GCAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NC[C@H]2CCCO2)n1	ZINC000009038060	206305422	/nfs/dbraw/zinc/30/54/22/206305422.db2.gz	KISRERKKEQRWEW-CYBMUJFWSA-N	-1	1	388.428	0.450	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]CCSCc2cccs2)c(=O)n(C)c1=O	ZINC000008746155	206763423	/nfs/dbraw/zinc/76/34/23/206763423.db2.gz	XLRZRZGWCTXCAK-UHFFFAOYSA-N	-1	1	375.497	0.357	50	0		GCAAMM
COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCC(O)CC3)nc(=O)c12	ZINC000026296059	207311223	/nfs/dbraw/zinc/31/12/23/207311223.db2.gz	TZPQJVOKCHFQIU-UHFFFAOYSA-N	-1	1	395.437	0.856	50	0		GCAAMM
CN1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)c2sccc2S1(=O)=O	ZINC000091645968	208130357	/nfs/dbraw/zinc/13/03/57/208130357.db2.gz	DEYZTDYVTPIDPX-SNVBAGLBSA-N	-1	1	380.451	0.814	50	0		GCAAMM
CCOC(=O)N1CCC(NC(=O)c2cnc(Cn3cncn3)[n-]c2=O)CC1	ZINC000092038183	208146696	/nfs/dbraw/zinc/14/66/96/208146696.db2.gz	SNSSBUPJOKEZID-UHFFFAOYSA-N	-1	1	375.389	0.173	50	0		GCAAMM
CCS(=O)(=O)Nc1ccc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)[O-])cc1	ZINC000096149358	208276548	/nfs/dbraw/zinc/27/65/48/208276548.db2.gz	XKLORQKUKFAFKI-AWEZNQCLSA-N	-1	1	378.410	0.823	50	0		GCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000013624650	221278111	/nfs/dbraw/zinc/27/81/11/221278111.db2.gz	GXIXUONVCDBJJS-UONOGXRCSA-N	-1	1	381.406	0.014	50	0		GCAAMM
Nc1nc2nc[nH]c2c(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)n1	ZINC000091468903	136176397	/nfs/dbraw/zinc/17/63/97/136176397.db2.gz	DINJWVWSKOKLKP-NEPJUHHUSA-N	-1	1	375.433	0.327	50	0		GCAAMM
O=C(CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)N[C@H]1CCCCNC1=O	ZINC000069300344	222173461	/nfs/dbraw/zinc/17/34/61/222173461.db2.gz	OLTRPRRYWYQJEQ-ZDUSSCGKSA-N	-1	1	397.501	0.486	50	0		GCAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3nnn(C)c3=O)cc2)cc1	ZINC000077100117	222272570	/nfs/dbraw/zinc/27/25/70/222272570.db2.gz	IPFHPURIVUVRQC-UHFFFAOYSA-N	-1	1	389.393	0.553	50	0		GCAAMM
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nnn[n-]1	ZINC000218294456	570330398	/nfs/dbraw/zinc/33/03/98/570330398.db2.gz	NAPTYYLMCUPJDZ-OAHLLOKOSA-N	-1	1	375.348	0.953	50	0		GCAAMM
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nn[n-]n1	ZINC000218294456	570330400	/nfs/dbraw/zinc/33/04/00/570330400.db2.gz	NAPTYYLMCUPJDZ-OAHLLOKOSA-N	-1	1	375.348	0.953	50	0		GCAAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1	ZINC000023371632	570357384	/nfs/dbraw/zinc/35/73/84/570357384.db2.gz	VLUGNOZUPXSLKF-UHFFFAOYSA-N	-1	1	375.362	0.804	50	0		GCAAMM
Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000035588033	570402110	/nfs/dbraw/zinc/40/21/10/570402110.db2.gz	GIIDMTFUMDQRLO-UHFFFAOYSA-N	-1	1	394.457	0.595	50	0		GCAAMM
COC(=O)c1ccccc1NC(=O)C[C@H](CN1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000061721583	570504706	/nfs/dbraw/zinc/50/47/06/570504706.db2.gz	XZUNYZQDDMEEBA-CQSZACIVSA-N	-1	1	391.424	0.667	50	0		GCAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@](C)(O)CO)c2)cc1	ZINC000225554584	570587501	/nfs/dbraw/zinc/58/75/01/570587501.db2.gz	JVYCDIQCFVIAOP-SFHVURJKSA-N	-1	1	394.449	0.969	50	0		GCAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3nc[nH]c(=O)c3c2)cc1-n1cnnn1	ZINC000012371428	570647532	/nfs/dbraw/zinc/64/75/32/570647532.db2.gz	MKTIQTAESYSGIE-UHFFFAOYSA-N	-1	1	399.392	0.708	50	0		GCAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cc1	ZINC000052025813	570724172	/nfs/dbraw/zinc/72/41/72/570724172.db2.gz	XHMBKAHVKVAFLN-UHFFFAOYSA-N	-1	1	392.433	0.925	50	0		GCAAMM
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[N-]C(=O)c2ccccc2)c1	ZINC000012972650	570733463	/nfs/dbraw/zinc/73/34/63/570733463.db2.gz	GBRYWZGVNLXRLA-UHFFFAOYSA-N	-1	1	391.449	0.835	50	0		GCAAMM
COc1cccc(NC(=O)COc2ccc(C(=O)NN3CC(=O)[N-]C3=O)cc2)c1	ZINC000013005455	570741469	/nfs/dbraw/zinc/74/14/69/570741469.db2.gz	WHPRKQUUDMARBN-UHFFFAOYSA-N	-1	1	398.375	0.909	50	0		GCAAMM
COC(=O)c1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)n1	ZINC000170618498	570875504	/nfs/dbraw/zinc/87/55/04/570875504.db2.gz	PCONFGGUOXVPJQ-JQWIXIFHSA-N	-1	1	393.421	0.999	50	0		GCAAMM
COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC000015365595	570931745	/nfs/dbraw/zinc/93/17/45/570931745.db2.gz	CXEKSHZBIZJRIO-SNVBAGLBSA-N	-1	1	383.426	0.141	50	0		GCAAMM
O=C(NCCCn1nnc2ccccc21)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091915349	571036160	/nfs/dbraw/zinc/03/61/60/571036160.db2.gz	RXGCIBSZUIBICM-UHFFFAOYSA-N	-1	1	379.384	0.387	50	0		GCAAMM
CN(C)S(=O)(=O)N1CC[C@]2(O)CCN(Cc3ccc(C(=O)[O-])cc3)C[C@@H]2C1	ZINC000095366506	571058499	/nfs/dbraw/zinc/05/84/99/571058499.db2.gz	YTMKWIOXMLZAKT-SJLPKXTDSA-N	-1	1	397.497	0.450	50	0		GCAAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC)c(OC)c1	ZINC000253470722	1198967555	/nfs/dbraw/zinc/96/75/55/1198967555.db2.gz	BKZFNWRQSNLQMK-LLVKDONJSA-N	-1	1	377.397	0.833	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2cccc(O)c2)C(=O)[O-])CC1	ZINC000071279896	1200404410	/nfs/dbraw/zinc/40/44/10/1200404410.db2.gz	OSGJIZOFIQSZSS-CQSZACIVSA-N	-1	1	392.456	0.127	50	0		GCAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3nnn(C)c3=O)cc2)cc1	ZINC000077100106	1201188120	/nfs/dbraw/zinc/18/81/20/1201188120.db2.gz	QEKRAQUFSLOPLN-UHFFFAOYSA-N	-1	1	388.409	0.725	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O	ZINC000015324768	530493695	/nfs/dbraw/zinc/49/36/95/530493695.db2.gz	LAZOSYHRMOFOJQ-UHFFFAOYSA-N	-1	1	378.237	0.869	50	0		GCAAMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)o1	ZINC000040153020	530507242	/nfs/dbraw/zinc/50/72/42/530507242.db2.gz	QSCHSQMMQDGSAK-UHFFFAOYSA-N	-1	1	393.487	0.074	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)N2CCC[C@H](C)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000009039722	206306285	/nfs/dbraw/zinc/30/62/85/206306285.db2.gz	IAUXRJLZLHTWLV-NSHDSACASA-N	-1	1	384.440	0.950	50	0		GCAAMM
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000018190319	207093979	/nfs/dbraw/zinc/09/39/79/207093979.db2.gz	CSFFTSRVLXCIIG-QWRGUYRKSA-N	-1	1	390.314	0.409	50	0		GCAAMM
O=C(NCc1ccccc1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000019961129	207173342	/nfs/dbraw/zinc/17/33/42/207173342.db2.gz	VWZMTQLGUOTSAC-ZDUSSCGKSA-N	-1	1	383.408	0.349	50	0		GCAAMM
Cc1ccc(-c2ncc(C(=O)NCCS(=O)(=O)N3CCCC3)c(=O)[n-]2)cc1	ZINC000091519099	208123944	/nfs/dbraw/zinc/12/39/44/208123944.db2.gz	YKIWUOIDVACFSF-UHFFFAOYSA-N	-1	1	390.465	0.901	50	0		GCAAMM
O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1cc(=O)n3cc(Cl)ccc3n1)CC2	ZINC000095362467	208162694	/nfs/dbraw/zinc/16/26/94/208162694.db2.gz	MLDDSOIMWIJWOY-CYBMUJFWSA-N	-1	1	390.827	0.903	50	0		GCAAMM
Cc1ccccc1[C@]1(O)CCN(C(=O)c2cnc(Cn3cncn3)[n-]c2=O)C1	ZINC000091907119	208140814	/nfs/dbraw/zinc/14/08/14/208140814.db2.gz	OCWDFZIAKJQKKN-IBGZPJMESA-N	-1	1	380.408	0.864	50	0		GCAAMM
NC(=O)CN1CCC(NC(=O)c2cnc(COc3ccccc3)[n-]c2=O)CC1	ZINC000092066200	208149037	/nfs/dbraw/zinc/14/90/37/208149037.db2.gz	WBIYMUPMWHVBFG-UHFFFAOYSA-N	-1	1	385.424	0.441	50	0		GCAAMM
C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nn[n-]n1	ZINC000095942112	208239514	/nfs/dbraw/zinc/23/95/14/208239514.db2.gz	FFLQIYZPVLAPBV-ZDUSSCGKSA-N	-1	1	392.485	0.837	50	0		GCAAMM
CCN1c2nc3c(C)cccn3c(=O)c2C[C@@]2(C(=O)[N-]C(=O)N(C)C2=O)[C@@H]1C	ZINC000009348045	221077736	/nfs/dbraw/zinc/07/77/36/221077736.db2.gz	HVYYKFZGMDEBOL-WLRWDXFRSA-N	-1	1	383.408	0.468	50	0		GCAAMM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)C(F)(F)F	ZINC000018190316	221389034	/nfs/dbraw/zinc/38/90/34/221389034.db2.gz	CSFFTSRVLXCIIG-WDEREUQCSA-N	-1	1	390.314	0.409	50	0		GCAAMM
NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ncccc2[O-])C3)cc1	ZINC000067673925	222153995	/nfs/dbraw/zinc/15/39/95/222153995.db2.gz	MHWBBCBETWGPGW-UHFFFAOYSA-N	-1	1	391.387	0.835	50	0		GCAAMM
O=C(c1ncccc1[O-])N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077323662	222278391	/nfs/dbraw/zinc/27/83/91/222278391.db2.gz	RPQGSBBIOVXFDS-CVEARBPZSA-N	-1	1	387.461	0.911	50	0		GCAAMM
Cc1csc(CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)n1	ZINC000048272394	570225773	/nfs/dbraw/zinc/22/57/73/570225773.db2.gz	DSJJIOZDEVGSOS-UHFFFAOYSA-N	-1	1	377.470	0.929	50	0		GCAAMM
COCc1noc(C[N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n1	ZINC000215391159	570288412	/nfs/dbraw/zinc/28/84/12/570288412.db2.gz	NRLVYXICMFGPSY-UHFFFAOYSA-N	-1	1	380.426	0.931	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)c(=O)n(C)c1=O	ZINC000607363033	570305492	/nfs/dbraw/zinc/30/54/92/570305492.db2.gz	QXMWTXPLNCTDRO-AWEZNQCLSA-N	-1	1	389.437	0.000	50	0		GCAAMM
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nnn[n-]1	ZINC000218294515	570330501	/nfs/dbraw/zinc/33/05/01/570330501.db2.gz	NAPTYYLMCUPJDZ-HNNXBMFYSA-N	-1	1	375.348	0.953	50	0		GCAAMM
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nn[n-]n1	ZINC000218294515	570330502	/nfs/dbraw/zinc/33/05/02/570330502.db2.gz	NAPTYYLMCUPJDZ-HNNXBMFYSA-N	-1	1	375.348	0.953	50	0		GCAAMM
Cc1c(NC(=O)CSc2nc(N)cc(=O)[n-]2)c(=O)n(-c2ccccc2)n1C	ZINC000004741977	570401305	/nfs/dbraw/zinc/40/13/05/570401305.db2.gz	FKAJTRMWEICRSD-UHFFFAOYSA-N	-1	1	386.437	0.881	50	0		GCAAMM
CN(C)CCn1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CC(C)(C)OC3	ZINC000006663122	570526611	/nfs/dbraw/zinc/52/66/11/570526611.db2.gz	PIUSUFVXKHZRTE-UHFFFAOYSA-N	-1	1	381.454	0.722	50	0		GCAAMM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(S(C)(=O)=O)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036354456	570635536	/nfs/dbraw/zinc/63/55/36/570635536.db2.gz	KATMAZZWJMSEON-OAHLLOKOSA-N	-1	1	395.437	0.579	50	0		GCAAMM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(S(C)(=O)=O)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359987	570642745	/nfs/dbraw/zinc/64/27/45/570642745.db2.gz	HCROCZODVXRRHU-OAHLLOKOSA-N	-1	1	395.437	0.579	50	0		GCAAMM
COCc1nc([C@H]2C[C@H](NC(=O)CN3C(=O)NC(=O)C3(C)C)C2)cc(=O)[n-]1	ZINC000253535674	570733801	/nfs/dbraw/zinc/73/38/01/570733801.db2.gz	LRGYENZGRCNAFF-MGCOHNPYSA-N	-1	1	377.401	0.021	50	0		GCAAMM
O=C(c1ncccc1[O-])N1C[C@@H](F)C[C@H]1CNS(=O)(=O)c1cccnc1	ZINC000082120107	570792076	/nfs/dbraw/zinc/79/20/76/570792076.db2.gz	MSMKGKOYNIKJMG-RYUDHWBXSA-N	-1	1	380.401	0.713	50	0		GCAAMM
Cc1ccc(CN2CCN(C(=O)c3ncccc3[O-])[C@H]3CS(=O)(=O)C[C@H]32)o1	ZINC000072476809	570882398	/nfs/dbraw/zinc/88/23/98/570882398.db2.gz	GDTSOXSXSZQZEG-CABCVRRESA-N	-1	1	391.449	0.812	50	0		GCAAMM
O=C(NCCNc1nnnn1-c1ccccc1)c1nc2ccccc2c(=O)[n-]1	ZINC000084572645	571023584	/nfs/dbraw/zinc/02/35/84/571023584.db2.gz	SMNNGEXIPCSKER-UHFFFAOYSA-N	-1	1	376.380	0.741	50	0		GCAAMM
CC(C)(C)CC(=O)N1C[C@H](NC(=O)Cc2cc(=O)[n-][nH]c2=O)[C@@H](C2CC2)C1	ZINC000095387503	571070762	/nfs/dbraw/zinc/07/07/62/571070762.db2.gz	LZXLIIDEXLVMMZ-KGLIPLIRSA-N	-1	1	376.457	0.807	50	0		GCAAMM
O=C(CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1)N[C@@H]1CCCCNC1=O	ZINC000069300341	1200312547	/nfs/dbraw/zinc/31/25/47/1200312547.db2.gz	OLTRPRRYWYQJEQ-CYBMUJFWSA-N	-1	1	397.501	0.486	50	0		GCAAMM
COCCN1C(=O)C(=CNc2nc(CC(=O)OC)cs2)C(=O)[N-]C1=S	ZINC000016097459	530985298	/nfs/dbraw/zinc/98/52/98/530985298.db2.gz	KWDCBVKNYZBAIC-TWGQIWQCSA-N	-1	1	384.439	0.044	50	0		GCAAMM
O=C([O-])COc1ccc(/C=C2/NC(=O)NC2=O)cc1I	ZINC000000658601	212171116	/nfs/dbraw/zinc/17/11/16/212171116.db2.gz	ALXJLCAFBGOZNO-XBXARRHUSA-N	-1	1	388.117	0.935	50	0		GCAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)n1	ZINC000011443559	206824790	/nfs/dbraw/zinc/82/47/90/206824790.db2.gz	ACTFIVLHTVZCRI-UHFFFAOYSA-N	-1	1	393.469	0.550	50	0		GCAAMM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](N)[C@@H](C)O)CC3)no1	ZINC000077379627	208042619	/nfs/dbraw/zinc/04/26/19/208042619.db2.gz	JIBRIJBBWVXEII-BZNIZROVSA-N	-1	1	394.453	0.377	50	0		GCAAMM
O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cnc(COc2ccc(F)cc2)[n-]c1=O	ZINC000091745573	208136054	/nfs/dbraw/zinc/13/60/54/208136054.db2.gz	OJTXLMAPPUUUCK-LLVKDONJSA-N	-1	1	379.369	0.941	50	0		GCAAMM
O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1cc(=O)n3cc(Cl)ccc3n1)CC2	ZINC000095362466	208163804	/nfs/dbraw/zinc/16/38/04/208163804.db2.gz	MLDDSOIMWIJWOY-ZDUSSCGKSA-N	-1	1	390.827	0.903	50	0		GCAAMM
C[C@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1nn[n-]n1	ZINC000095531820	208229163	/nfs/dbraw/zinc/22/91/63/208229163.db2.gz	VDHMHHVFXZVRJG-NSHDSACASA-N	-1	1	394.457	0.494	50	0		GCAAMM
O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]C(=O)c1ccccc1	ZINC000096010102	208253636	/nfs/dbraw/zinc/25/36/36/208253636.db2.gz	HMLATXSFKPWECS-GASCZTMLSA-N	-1	1	384.388	0.828	50	0		GCAAMM
COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=NN2C(C)=O)c1	ZINC000101765906	208398726	/nfs/dbraw/zinc/39/87/26/208398726.db2.gz	BGUNAGBYXLNFMZ-ZDUSSCGKSA-N	-1	1	388.380	0.494	50	0		GCAAMM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc(C(N)=O)c1	ZINC000012290760	208769414	/nfs/dbraw/zinc/76/94/14/208769414.db2.gz	WKESYANGFUCCFT-UHFFFAOYSA-N	-1	1	376.350	0.120	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])CC1	ZINC000061721466	222062567	/nfs/dbraw/zinc/06/25/67/222062567.db2.gz	KPZYIUHDNAYTFT-AWEZNQCLSA-N	-1	1	394.447	0.561	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2cccc(O)c2)C(=O)[O-])CC1	ZINC000071279897	222179055	/nfs/dbraw/zinc/17/90/55/222179055.db2.gz	OSGJIZOFIQSZSS-AWEZNQCLSA-N	-1	1	392.456	0.127	50	0		GCAAMM
Cc1ccc(-n2nc(C(=O)N3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)c(=O)cc2[O-])cc1	ZINC000071776354	222198457	/nfs/dbraw/zinc/19/84/57/222198457.db2.gz	FSGZPKIYDXRGAG-XRGAULLZSA-N	-1	1	385.420	0.450	50	0		GCAAMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc3C2)c(=O)n(C)c1=O	ZINC000097654029	570248530	/nfs/dbraw/zinc/24/85/30/570248530.db2.gz	MFBZOVZMIRPVQV-GFCCVEGCSA-N	-1	1	379.438	0.004	50	0		GCAAMM
O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1cnn(C[C@@H]2CCCCO2)c1	ZINC000390828982	570358478	/nfs/dbraw/zinc/35/84/78/570358478.db2.gz	VNEBBQGGQOQMGJ-AWEZNQCLSA-N	-1	1	384.458	0.733	50	0		GCAAMM
CC(C)(C(=O)[O-])c1cnc(N2CC[N@H+]3CCC[C@H]3C2)nc1N1CCOCC1	ZINC000244873084	570433832	/nfs/dbraw/zinc/43/38/32/570433832.db2.gz	WJVHHQYWWAAVGT-AWEZNQCLSA-N	-1	1	375.473	0.960	50	0		GCAAMM
O=C(NCCN1CCN(C(=O)C(F)(F)F)CC1)c1nc2ccccc2c(=O)[n-]1	ZINC000044916555	570643001	/nfs/dbraw/zinc/64/30/01/570643001.db2.gz	HHFJDQMSKKDAOF-UHFFFAOYSA-N	-1	1	397.357	0.772	50	0		GCAAMM
O=c1cc(CN2CCN(CCO)CC2)nc2[n-]c(-c3ccc(Cl)cc3)nn21	ZINC000101747341	570832174	/nfs/dbraw/zinc/83/21/74/570832174.db2.gz	SUCALJAEHUPDPA-UHFFFAOYSA-N	-1	1	388.859	0.848	50	0		GCAAMM
COc1cc([C@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=NN2)cc(OC)c1OC	ZINC000101763582	570833235	/nfs/dbraw/zinc/83/32/35/570833235.db2.gz	XZMKXSXQIUUIPI-SECBINFHSA-N	-1	1	376.369	0.244	50	0		GCAAMM
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2F)C(=O)[O-])CC1	ZINC000071288023	570889316	/nfs/dbraw/zinc/88/93/16/570889316.db2.gz	JBAQVVWDFHSQCP-AWEZNQCLSA-N	-1	1	394.447	0.561	50	0		GCAAMM
CCOC(=O)CNC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[n-]2)c1C	ZINC000016981004	570922314	/nfs/dbraw/zinc/92/23/14/570922314.db2.gz	SVYJLFKHLVCWRE-UHFFFAOYSA-N	-1	1	375.429	0.801	50	0		GCAAMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000630226300	601103967	/nfs/dbraw/zinc/10/39/67/601103967.db2.gz	WRXGWCGGMVNEFH-HZPDHXFCSA-N	-1	1	380.489	0.922	50	0		GCAAMM
COCC(=O)N1C[C@@H]2CN(Cc3ccc(F)c(OC)c3F)C[C@]2(C(=O)[O-])C1	ZINC000096141860	1187359457	/nfs/dbraw/zinc/35/94/57/1187359457.db2.gz	RZSAUOFMRDTHPI-SGTLLEGYSA-N	-1	1	384.379	0.965	50	0		GCAAMM
CC1CN(Cc2nc(=O)n(C)[n-]2)c2ccccc2N(Cc2nc(=O)n(C)[nH]2)C1	ZINC000329687169	1189724678	/nfs/dbraw/zinc/72/46/78/1189724678.db2.gz	VBMFPYZDKAAVJL-UHFFFAOYSA-N	-1	1	384.444	0.193	50	0		GCAAMM
Cn1c(CNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n[n-]c1=S	ZINC000095461183	1199871572	/nfs/dbraw/zinc/87/15/72/1199871572.db2.gz	CFISDPORYDODFG-UHFFFAOYSA-N	-1	1	399.440	0.721	50	0		GCAAMM
C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])n1ccnc1	ZINC000040144813	1200301105	/nfs/dbraw/zinc/30/11/05/1200301105.db2.gz	OSCBYJSPPHBMCT-GFCCVEGCSA-N	-1	1	380.426	0.809	50	0		GCAAMM
CC(=O)N1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)[O-])CC1	ZINC000071282111	1200404031	/nfs/dbraw/zinc/40/40/31/1200404031.db2.gz	AYFLUXSECOYNRN-CQSZACIVSA-N	-1	1	391.424	0.651	50	0		GCAAMM
Cc1cc(NC(=O)C(=O)NCCc2ccccc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000009037411	206305239	/nfs/dbraw/zinc/30/52/39/206305239.db2.gz	WOTMVICFAUHMEY-UHFFFAOYSA-N	-1	1	380.408	0.870	50	0		GCAAMM
COCCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1	ZINC000020731391	207212359	/nfs/dbraw/zinc/21/23/59/207212359.db2.gz	KQEPESLWKSJJPQ-SFHVURJKSA-N	-1	1	392.431	0.813	50	0		GCAAMM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(S(C)(=O)=O)CC2)c1C(=O)[O-]	ZINC000036356940	207524237	/nfs/dbraw/zinc/52/42/37/207524237.db2.gz	KIXHHKSQNCXERV-OAHLLOKOSA-N	-1	1	395.437	0.579	50	0		GCAAMM
Cc1ccc(N(C)C2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)nn1	ZINC000089652322	208107412	/nfs/dbraw/zinc/10/74/12/208107412.db2.gz	SVQFKUCAZSYRQQ-UHFFFAOYSA-N	-1	1	384.440	0.743	50	0		GCAAMM
C[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1nn[n-]n1	ZINC000095531821	208231078	/nfs/dbraw/zinc/23/10/78/208231078.db2.gz	VDHMHHVFXZVRJG-LLVKDONJSA-N	-1	1	394.457	0.494	50	0		GCAAMM
C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nn[n-]n1	ZINC000095942113	208240462	/nfs/dbraw/zinc/24/04/62/208240462.db2.gz	FFLQIYZPVLAPBV-CYBMUJFWSA-N	-1	1	392.485	0.837	50	0		GCAAMM
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1	ZINC000012738889	221222838	/nfs/dbraw/zinc/22/28/38/221222838.db2.gz	BSBKTEXCXSZJQR-UHFFFAOYSA-N	-1	1	383.451	0.837	50	0		GCAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000013624646	221278639	/nfs/dbraw/zinc/27/86/39/221278639.db2.gz	GXIXUONVCDBJJS-KBPBESRZSA-N	-1	1	381.406	0.014	50	0		GCAAMM
COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000061721701	222063006	/nfs/dbraw/zinc/06/30/06/222063006.db2.gz	JMBYNCTVQBVYKX-GFCCVEGCSA-N	-1	1	397.453	0.728	50	0		GCAAMM
Cc1nnc(C[N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)o1	ZINC000097729621	570252093	/nfs/dbraw/zinc/25/20/93/570252093.db2.gz	XHIIKWHWNKCUGH-LBPRGKRZSA-N	-1	1	380.426	0.623	50	0		GCAAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCCOCC1CC1	ZINC000022873877	570332529	/nfs/dbraw/zinc/33/25/29/570332529.db2.gz	CGMLYGPDMZNCAM-UHFFFAOYSA-N	-1	1	378.473	0.780	50	0		GCAAMM
COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)c1c([O-])nc2ccccn2c1=O	ZINC000205956168	570340832	/nfs/dbraw/zinc/34/08/32/570340832.db2.gz	GEDRREHBKQMUDS-AWEZNQCLSA-N	-1	1	397.387	0.959	50	0		GCAAMM
C[N@H+]1CCN(Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)C[C@H]1C(=O)[O-]	ZINC000248030861	570440883	/nfs/dbraw/zinc/44/08/83/570440883.db2.gz	LARDJTJURATDCS-HNNXBMFYSA-N	-1	1	391.453	0.478	50	0		GCAAMM
Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000058439231	570734119	/nfs/dbraw/zinc/73/41/19/570734119.db2.gz	PRVAZKGAOLPOCZ-UHFFFAOYSA-N	-1	1	389.437	0.057	50	0		GCAAMM
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)C1=O	ZINC000003446576	570869352	/nfs/dbraw/zinc/86/93/52/570869352.db2.gz	LFQSFSISCGFCPR-UHFFFAOYSA-N	-1	1	375.381	0.597	50	0		GCAAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC(=O)NC(C)(C)C	ZINC000032879682	570881605	/nfs/dbraw/zinc/88/16/05/570881605.db2.gz	BZKJTNOQKDEKRF-UHFFFAOYSA-N	-1	1	393.488	0.221	50	0		GCAAMM
O=C(NCc1ccccc1-n1ccnc1)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091845826	571032706	/nfs/dbraw/zinc/03/27/06/571032706.db2.gz	CVJZSUDYMLURLF-UHFFFAOYSA-N	-1	1	376.380	0.938	50	0		GCAAMM
Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cnc(Cn3cncn3)[n-]c2=O)C1	ZINC000091907122	571035638	/nfs/dbraw/zinc/03/56/38/571035638.db2.gz	OCWDFZIAKJQKKN-LJQANCHMSA-N	-1	1	380.408	0.864	50	0		GCAAMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1	ZINC000630226302	601104050	/nfs/dbraw/zinc/10/40/50/601104050.db2.gz	WRXGWCGGMVNEFH-JKSUJKDBSA-N	-1	1	380.489	0.922	50	0		GCAAMM
O=C(Cc1ccsc1)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(CO)C1	ZINC001772704888	1187642010	/nfs/dbraw/zinc/64/20/10/1187642010.db2.gz	UHWYUOOAGPGMQX-IFXJQAMLSA-N	-1	1	387.461	0.984	50	0		GCAAMM
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1	ZINC000031776949	1200108804	/nfs/dbraw/zinc/10/88/04/1200108804.db2.gz	OFZUKHQGGFVUBH-UHFFFAOYSA-N	-1	1	393.450	0.930	50	0		GCAAMM
Cc1ccccc1Cn1c(SCc2nn[n-]n2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009130706	1200323182	/nfs/dbraw/zinc/32/31/82/1200323182.db2.gz	KMFKUFUPNDEECK-UHFFFAOYSA-N	-1	1	398.452	0.596	50	0		GCAAMM
Cc1c(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(=O)oc2cc(O)cc([O-])c12	ZINC000009486553	1200385588	/nfs/dbraw/zinc/38/55/88/1200385588.db2.gz	FFSQNCNKZHDWPF-QGZVFWFLSA-N	-1	1	381.406	0.749	50	0		GCAAMM