smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2ccc(C)c(C)c2)N=C1C	ZINC000004982679	204099377	/nfs/dbraw/zinc/09/93/77/204099377.db2.gz	SVYUZGYWSVPZNO-BOPFTXTBSA-N	0	2	380.404	3.939	50	10		GHCALN
CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21	ZINC000012413849	136200190	/nfs/dbraw/zinc/20/01/90/136200190.db2.gz	TYRNLDGETXLMHF-XDHOZWIPSA-N	0	2	387.439	3.944	50	10		GHCALN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1OC	ZINC000009012298	856701830	/nfs/dbraw/zinc/70/18/30/856701830.db2.gz	CGRVRFJWRGJDOF-PTNGSMBKSA-N	0	2	396.399	3.528	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1	ZINC000005650165	204144021	/nfs/dbraw/zinc/14/40/21/204144021.db2.gz	ZKWUADZMZJNPSZ-FMIVXFBMSA-N	0	2	376.199	3.572	50	10		GHCALN
Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3C[NH+]3CCOCC3)c2=O)c1	ZINC000019791713	204684938	/nfs/dbraw/zinc/68/49/38/204684938.db2.gz	QIPFWXQPWWTYGG-UHFFFAOYSA-N	0	2	381.428	3.740	50	10	biogenic	GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1C	ZINC000001176817	570790386	/nfs/dbraw/zinc/79/03/86/570790386.db2.gz	LZQFSDUPASUUOZ-QGOAFFKASA-N	0	2	393.443	3.553	50	10		GHCALN
CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O	ZINC000001188921	570792124	/nfs/dbraw/zinc/79/21/24/570792124.db2.gz	PLEQYPZJKNFKOE-KPKJPENVSA-N	0	2	393.226	3.559	50	10		GHCALN
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000014011199	570814381	/nfs/dbraw/zinc/81/43/81/570814381.db2.gz	IOCDFCKTUPJQFP-XMHGGMMESA-N	0	2	377.444	3.508	50	10		GHCALN
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1	ZINC000005671868	204146151	/nfs/dbraw/zinc/14/61/51/204146151.db2.gz	RWXCOFRIOVUJLK-ZROIWOOFSA-N	0	2	377.625	3.564	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1	ZINC000008994663	136195932	/nfs/dbraw/zinc/19/59/32/136195932.db2.gz	WXKKRFFTBPALMC-BOPFTXTBSA-N	0	2	375.384	3.694	50	10		GHCALN
CCN1c2ccccc2S/C1=C\C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000100856086	136196019	/nfs/dbraw/zinc/19/60/19/136196019.db2.gz	OVVBVPYYWHASTA-MIXLFBTASA-N	0	2	391.452	3.669	50	10		GHCALN
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)cc2Cl)C1=O	ZINC000000755196	524535086	/nfs/dbraw/zinc/53/50/86/524535086.db2.gz	WCILWGNXVSBSEY-XYOKQWHBSA-N	0	2	391.210	3.668	50	10		GHCALN
COC(=O)c1ccc(N=C(C)c2c(C)[nH]n(-c3ccc(OC)cc3)c2=O)cc1	ZINC000100136012	570305446	/nfs/dbraw/zinc/30/54/46/570305446.db2.gz	CQBBINNXBUWCBQ-UYRXBGFRSA-N	0	2	379.416	3.590	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000015659261	570901066	/nfs/dbraw/zinc/90/10/66/570901066.db2.gz	DUKFVQOOMKTADZ-ZGCWVLQWSA-N	0	2	377.356	3.966	50	10		GHCALN
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC	ZINC000017015547	570936996	/nfs/dbraw/zinc/93/69/96/570936996.db2.gz	RSUKLBPOHBYYOR-NTEUORMPSA-N	0	2	396.399	3.528	50	10		GHCALN
CCn1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000005031604	204104246	/nfs/dbraw/zinc/10/42/46/204104246.db2.gz	NLCOXTHZTZQHRI-LDADJPATSA-N	0	2	389.411	3.541	50	10		GHCALN
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000001213151	136196126	/nfs/dbraw/zinc/19/61/26/136196126.db2.gz	SRQIODOTYGGWNA-MHWRWJLKSA-N	0	2	384.819	3.632	50	10		GHCALN
Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3C[NH+]3CCN(C)CC3)c2=O)c1	ZINC000019791715	570219452	/nfs/dbraw/zinc/21/94/52/570219452.db2.gz	TUFJGBKTMOWPPD-UHFFFAOYSA-N	0	2	394.471	3.655	50	10	biogenic	GHCALN
Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3CN3CC[NH+](C)CC3)c2=O)c1	ZINC000019791715	570219455	/nfs/dbraw/zinc/21/94/55/570219455.db2.gz	TUFJGBKTMOWPPD-UHFFFAOYSA-N	0	2	394.471	3.655	50	10	biogenic	GHCALN
COc1ccc(N=CC2C(=O)N(c3ccc(C)cc3C)N=C2C)c([N+](=O)[O-])c1	ZINC000100507702	570272900	/nfs/dbraw/zinc/27/29/00/570272900.db2.gz	XYDHWHCYQKRAMV-LFIBNONCSA-N	0	2	380.404	3.939	50	10		GHCALN
COc1ccc([C@@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1	ZINC000012381915	570321869	/nfs/dbraw/zinc/32/18/69/570321869.db2.gz	RUEYMBHMDRYCAS-GOSISDBHSA-N	0	2	395.415	3.719	50	10		GHCALN
Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4nsnc43)c2)cs1	ZINC000019104330	570813902	/nfs/dbraw/zinc/81/39/02/570813902.db2.gz	TUKKEIYMNAVXDS-UHFFFAOYSA-N	0	2	388.499	3.924	50	10		GHCALN
CCn1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000002371941	856982502	/nfs/dbraw/zinc/98/25/02/856982502.db2.gz	HTSQRJIYJFZJLK-RVDMUPIBSA-N	0	2	377.375	3.671	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1	ZINC000004703320	204066828	/nfs/dbraw/zinc/06/68/28/204066828.db2.gz	RQAOEYPRRYGALX-GDNBJRDFSA-N	0	2	384.819	3.577	50	10		GHCALN
CCOc1ccc(NC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1	ZINC000004565312	204052944	/nfs/dbraw/zinc/05/29/44/204052944.db2.gz	TYMGANZSRMQTAH-UHFFFAOYSA-N	0	2	387.391	3.819	50	10		GHCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)cc1	ZINC000005028687	204104787	/nfs/dbraw/zinc/10/47/87/204104787.db2.gz	RKLGYXVXOKGZCV-ZHZULCJRSA-N	0	2	386.407	3.905	50	10		GHCALN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(CC)CC)o2)C1=O	ZINC000008914648	204293226	/nfs/dbraw/zinc/29/32/26/204293226.db2.gz	PPRVOQQNPUZYPL-DTQAZKPQSA-N	0	2	381.432	3.559	50	10		GHCALN
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100044299	570238289	/nfs/dbraw/zinc/23/82/89/570238289.db2.gz	QZNVSTWGPWBZAO-ZDLGFXPLSA-N	0	2	395.375	3.838	50	10		GHCALN
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000002469613	570287898	/nfs/dbraw/zinc/28/78/98/570287898.db2.gz	DRCWRKIFOBIOQG-UHFFFAOYSA-N	0	2	375.431	3.828	50	10		GHCALN
CCN(CC)c1ccc(C[NH2+]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000057122058	570701248	/nfs/dbraw/zinc/70/12/48/570701248.db2.gz	KAMRWMOLBWEGHL-UHFFFAOYSA-N	0	2	383.492	3.680	50	10		GHCALN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNN1CCCCCC1	ZINC000002406268	858335599	/nfs/dbraw/zinc/33/55/99/858335599.db2.gz	QNNLFQLGDDQWCN-SAPNQHFASA-N	0	2	378.432	3.527	50	10		GHCALN
CC(C)C[C@@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000004026331	204024051	/nfs/dbraw/zinc/02/40/51/204024051.db2.gz	KKAMOXGUTPOGNY-GOSISDBHSA-N	0	2	381.428	3.755	50	10	biogenic	GHCALN
COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)SC2=S)cc1	ZINC000016671530	204597875	/nfs/dbraw/zinc/59/78/75/204597875.db2.gz	BUEOAQGGUKGIOA-OQLLNIDSSA-N	0	2	388.426	3.715	50	10		GHCALN
COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000001206090	570257675	/nfs/dbraw/zinc/25/76/75/570257675.db2.gz	KNAXCEXZDODURQ-XNTDXEJSSA-N	0	2	384.775	3.633	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000001192449	918514478	/nfs/dbraw/zinc/51/44/78/918514478.db2.gz	APNSYCDVMRZNKG-ANSBUGDOSA-N	0	2	393.355	3.666	50	10		GHCALN
O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=S)N(Cc2ccco2)C1=O	ZINC000004553280	204051703	/nfs/dbraw/zinc/05/17/03/204051703.db2.gz	LFTPPMYCFCQNKD-SEYXRHQNSA-N	0	2	387.398	3.561	50	10		GHCALN
COC(=O)c1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000001207951	570794104	/nfs/dbraw/zinc/79/41/04/570794104.db2.gz	GZBVHNPYLFWXPX-GZTJUZNOSA-N	0	2	378.384	3.597	50	10		GHCALN
O=C(COc1ccc(Nc2ccccc2)cc1)NCc1cc([N+](=O)[O-])ccc1O	ZINC000034852213	570544884	/nfs/dbraw/zinc/54/48/84/570544884.db2.gz	IXVRWBKWQDERNA-UHFFFAOYSA-N	0	2	393.399	3.739	50	10		GHCALN
C[C@H]1Cc2cc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)ccc2O1	ZINC000013897551	570800000	/nfs/dbraw/zinc/80/00/00/570800000.db2.gz	DKYLXPXPXYCNBP-KCUAXXGYSA-N	0	2	389.238	3.778	50	10		GHCALN
COc1ccc(N2N=C(C)C(C=Nc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1	ZINC000101112584	570814153	/nfs/dbraw/zinc/81/41/53/570814153.db2.gz	XWTWKROBAQMEJB-XNTDXEJSSA-N	0	2	386.795	3.975	50	10		GHCALN
COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1=O	ZINC000019898416	570228466	/nfs/dbraw/zinc/22/84/66/570228466.db2.gz	ZPGSJCYMESNSHN-GJZGRUSLSA-N	0	2	395.455	3.783	50	10	biogenic	GHCALN
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c([O-])c(Cl)cc(Cl)c3O)CC2)cc1	ZINC000025059873	570404736	/nfs/dbraw/zinc/40/47/36/570404736.db2.gz	ZCHMRIJWYZYVFT-UHFFFAOYSA-N	0	2	398.246	3.635	50	10		GHCALN
CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000017056866	570938025	/nfs/dbraw/zinc/93/80/25/570938025.db2.gz	KGTJSWPVNAODTO-PTNGSMBKSA-N	0	2	387.823	3.650	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1	ZINC000001181265	918489622	/nfs/dbraw/zinc/48/96/22/918489622.db2.gz	OINVQDVVQWTWJM-WOJGMQOQSA-N	0	2	384.395	3.959	50	10		GHCALN
CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000001192759	918514566	/nfs/dbraw/zinc/51/45/66/918514566.db2.gz	IOCDFCKTUPJQFP-RGEXLXHISA-N	0	2	377.444	3.508	50	10		GHCALN
O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1O	ZINC000036055739	205003389	/nfs/dbraw/zinc/00/33/89/205003389.db2.gz	BYZUFJDZLGEQJG-CQSZACIVSA-N	0	2	383.385	3.946	50	10		GHCALN
C[C@@H](Oc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cn1)c1ccccc1	ZINC000065607986	205238991	/nfs/dbraw/zinc/23/89/91/205238991.db2.gz	GDKYDDVUXQPBQM-CQSZACIVSA-N	0	2	393.399	3.765	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1	ZINC000001174043	570253642	/nfs/dbraw/zinc/25/36/42/570253642.db2.gz	FLPDOGWCTAKDHM-HMMYKYKNSA-N	0	2	385.423	3.706	50	10		GHCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1	ZINC000001445457	570263328	/nfs/dbraw/zinc/26/33/28/570263328.db2.gz	DFTBLBLATSUWBL-LICLKQGHSA-N	0	2	375.384	3.694	50	10	biogenic	GHCALN
CCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000027571754	855205038	/nfs/dbraw/zinc/20/50/38/855205038.db2.gz	SWOBWAGZEWEABU-LJQANCHMSA-N	0	2	395.415	3.863	50	10		GHCALN
CCC[C@H]([NH2+]Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O)C(=O)[O-]	ZINC000004540335	204050702	/nfs/dbraw/zinc/05/07/02/204050702.db2.gz	MIAYPQQSTPAUKY-KRWDZBQOSA-N	0	2	381.428	3.817	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1	ZINC000005033877	536184349	/nfs/dbraw/zinc/18/43/49/536184349.db2.gz	UJYUIVVOBQNISJ-QNGOZBTKSA-N	0	2	399.450	3.765	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000001173969	570253646	/nfs/dbraw/zinc/25/36/46/570253646.db2.gz	KSMSAZUYLGEKPG-QGOAFFKASA-N	0	2	391.814	3.797	50	10		GHCALN
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000000694619	570292932	/nfs/dbraw/zinc/29/29/32/570292932.db2.gz	IJSNECNIBOMXHU-ZROIWOOFSA-N	0	2	377.625	3.564	50	10		GHCALN
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1	ZINC000001059636	570749346	/nfs/dbraw/zinc/74/93/46/570749346.db2.gz	OIMYEUGBINLUFN-ZROIWOOFSA-N	0	2	377.625	3.564	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)cc1	ZINC000004703286	204066162	/nfs/dbraw/zinc/06/61/62/204066162.db2.gz	ONVWZJGXPPJZBL-UYRXBGFRSA-N	0	2	387.439	3.716	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1	ZINC000004704532	204066500	/nfs/dbraw/zinc/06/65/00/204066500.db2.gz	GOIPAJDVCSPIHE-VBKFSLOCSA-N	0	2	399.834	3.590	50	10		GHCALN
O=C1C(=CNc2cccc(F)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000100057188	570265747	/nfs/dbraw/zinc/26/57/47/570265747.db2.gz	GNKGXLMEMWQTLO-ZROIWOOFSA-N	0	2	394.284	3.995	50	10		GHCALN
COc1ccc(N=CC2C(=O)N(c3ccc(Cl)cc3)N=C2C)c([N+](=O)[O-])c1	ZINC000100316588	570270931	/nfs/dbraw/zinc/27/09/31/570270931.db2.gz	DLLGCTNXMGUYPC-GDNBJRDFSA-N	0	2	386.795	3.975	50	10		GHCALN
CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000103250460	570880447	/nfs/dbraw/zinc/88/04/47/570880447.db2.gz	RJBLFNZKGJEULE-SFQUDFHCSA-N	0	2	393.399	3.591	50	10		GHCALN
COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2ccc(Cl)cc2)N=C1C	ZINC000004982690	204100081	/nfs/dbraw/zinc/10/00/81/204100081.db2.gz	JVVHPNKRXXLKBZ-GDNBJRDFSA-N	0	2	386.795	3.975	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)cc1	ZINC000008995738	204296180	/nfs/dbraw/zinc/29/61/80/204296180.db2.gz	NCKKOWAMSCMEQF-ZROIWOOFSA-N	0	2	387.189	3.661	50	10		GHCALN
CN1CC[NH+](Cc2c([O-])c(Cl)cc3c(-c4ccccc4)cc(=O)oc32)CC1	ZINC000019908967	570229303	/nfs/dbraw/zinc/22/93/03/570229303.db2.gz	XFBSPFIQPJJIEQ-UHFFFAOYSA-N	0	2	384.863	3.566	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)c1	ZINC000001067029	570240365	/nfs/dbraw/zinc/24/03/65/570240365.db2.gz	GJNYBCDCNZQDMW-SDKHNTRVSA-N	0	2	377.356	3.966	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)c1C	ZINC000001180398	570791456	/nfs/dbraw/zinc/79/14/56/570791456.db2.gz	MVIDNXXZGAWGFL-GHRIWEEISA-N	0	2	393.443	3.553	50	10		GHCALN
COc1ccc(N2N=C(C)C(C(C)=Nc3cccc(OC)c3OC)C2=O)cc1	ZINC000100423141	570359971	/nfs/dbraw/zinc/35/99/71/570359971.db2.gz	IOAKHOOONZSUSQ-UYRXBGFRSA-N	0	2	381.432	3.821	50	10		GHCALN
COc1ccc(-n2[nH]c(C)c(C(C)=Nc3cccc(OC)c3OC)c2=O)cc1	ZINC000100423141	570359973	/nfs/dbraw/zinc/35/99/73/570359973.db2.gz	IOAKHOOONZSUSQ-UYRXBGFRSA-N	0	2	381.432	3.821	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1	ZINC000002810661	570519232	/nfs/dbraw/zinc/51/92/32/570519232.db2.gz	YXEMCNXGXDEDFU-LFIBNONCSA-N	0	2	384.819	3.577	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000000903141	570724195	/nfs/dbraw/zinc/72/41/95/570724195.db2.gz	GOIPAJDVCSPIHE-FOWTUZBSSA-N	0	2	399.834	3.590	50	10		GHCALN
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Cl	ZINC000004682276	204062740	/nfs/dbraw/zinc/06/27/40/204062740.db2.gz	ATNCNVASFPJZIE-DGGAMASNSA-N	0	2	399.834	3.579	50	10		GHCALN
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000059475180	205178521	/nfs/dbraw/zinc/17/85/21/205178521.db2.gz	RWXCOFRIOVUJLK-NTEUORMPSA-N	0	2	377.625	3.564	50	10		GHCALN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C	ZINC000001219485	136196197	/nfs/dbraw/zinc/19/61/97/136196197.db2.gz	GMJSEXYFGNBLAV-XYOKQWHBSA-N	0	2	392.242	3.615	50	10		GHCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	ZINC000004703303	204066171	/nfs/dbraw/zinc/06/61/71/204066171.db2.gz	NWJUCMHYYKSGBP-KPKJPENVSA-N	0	2	379.174	3.799	50	10		GHCALN
COc1ccc([C@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1	ZINC000012381914	570321897	/nfs/dbraw/zinc/32/18/97/570321897.db2.gz	RUEYMBHMDRYCAS-SFHVURJKSA-N	0	2	395.415	3.719	50	10		GHCALN
Nc1[nH]n2c(nc3c(c2=O)CCCC3)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000004649604	206537725	/nfs/dbraw/zinc/53/77/25/206537725.db2.gz	NBKUKCKAJFELCL-WCWDXBQESA-N	0	2	376.342	3.918	50	10		GHCALN
CCCCc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000035686307	570417813	/nfs/dbraw/zinc/41/78/13/570417813.db2.gz	SFOHVNOYPYRRLD-LJQANCHMSA-N	0	2	395.455	3.627	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1Cl	ZINC000008739022	570538889	/nfs/dbraw/zinc/53/88/89/570538889.db2.gz	FAPBNGWVELSHKL-GDNBJRDFSA-N	0	2	399.834	3.921	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000101350293	570821099	/nfs/dbraw/zinc/82/10/99/570821099.db2.gz	XBDCXQZGKOSZOZ-UKTHLTGXSA-N	0	2	390.226	3.881	50	10		GHCALN
Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1C[NH2+][C@H](C(=O)[O-])C(C)C	ZINC000004540331	570851460	/nfs/dbraw/zinc/85/14/60/570851460.db2.gz	ZKHLJRPPHRLYGR-FQEVSTJZSA-N	0	2	381.428	3.673	50	10		GHCALN
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccnc1Sc1ccccc1	ZINC000012783072	571036286	/nfs/dbraw/zinc/03/62/86/571036286.db2.gz	FJLOPMHWDPUWRT-UHFFFAOYSA-N	0	2	381.413	3.777	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000001105111	206351931	/nfs/dbraw/zinc/35/19/31/206351931.db2.gz	IRBFROZAKSDDSZ-RVDMUPIBSA-N	0	2	394.333	3.891	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=NNc3cccc4ccccc43)C2=O)cc1	ZINC000004657343	206537703	/nfs/dbraw/zinc/53/77/03/206537703.db2.gz	HCOBGICBUPMEEQ-WCWDXBQESA-N	0	2	388.383	3.809	50	10		GHCALN
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1	ZINC000007990570	221022586	/nfs/dbraw/zinc/02/25/86/221022586.db2.gz	DZLQIXMVDVWVMU-UHFFFAOYSA-N	0	2	387.486	3.878	50	10		GHCALN
Cc1oc2c(ccc([O-])c2C[NH+]2CCOCC2)c(=O)c1-c1ccc(Cl)cc1	ZINC000020358265	206296939	/nfs/dbraw/zinc/29/69/39/206296939.db2.gz	QMOAHJJCHBVZHQ-UHFFFAOYSA-N	0	2	385.847	3.960	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl	ZINC000100401301	136189132	/nfs/dbraw/zinc/18/91/32/136189132.db2.gz	RMRZBSUUEZCSMY-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)ccc3C)C2=O)c(C)c1	ZINC000017198552	207086807	/nfs/dbraw/zinc/08/68/07/207086807.db2.gz	QMAOYJISILWJKJ-GDNBJRDFSA-N	0	2	383.835	3.844	50	10		GHCALN
COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1=O	ZINC000019898417	207169930	/nfs/dbraw/zinc/16/99/30/207169930.db2.gz	ZPGSJCYMESNSHN-HUUCEWRRSA-N	0	2	395.455	3.783	50	10	biogenic	GHCALN
COc1ccccc1-c1coc2c(ccc([O-])c2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O	ZINC000019898415	207170411	/nfs/dbraw/zinc/17/04/11/207170411.db2.gz	ZPGSJCYMESNSHN-GASCZTMLSA-N	0	2	395.455	3.783	50	10	biogenic	GHCALN
COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O	ZINC000019898415	207170414	/nfs/dbraw/zinc/17/04/14/207170414.db2.gz	ZPGSJCYMESNSHN-GASCZTMLSA-N	0	2	395.455	3.783	50	10	biogenic	GHCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1	ZINC000008994361	136195875	/nfs/dbraw/zinc/19/58/75/136195875.db2.gz	DFTBLBLATSUWBL-YVLHZVERSA-N	0	2	375.384	3.694	50	10		GHCALN
CC(C)C[C@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000004026330	570354727	/nfs/dbraw/zinc/35/47/27/570354727.db2.gz	KKAMOXGUTPOGNY-SFHVURJKSA-N	0	2	381.428	3.755	50	10	biogenic	GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000004704560	570395856	/nfs/dbraw/zinc/39/58/56/570395856.db2.gz	LQQZJSSQTYPPRT-RIYZIHGNSA-N	0	2	375.211	3.968	50	10		GHCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=CC=Cc3ccc(N(C)C)cc3)C2=O)c1	ZINC000005025987	570424612	/nfs/dbraw/zinc/42/46/12/570424612.db2.gz	AOXQMDNIXINZBX-RGQKVHTQSA-N	0	2	389.455	3.796	50	10		GHCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1	ZINC000013548668	570757373	/nfs/dbraw/zinc/75/73/73/570757373.db2.gz	KNKQLZRKIYEEAB-VZUCSPMQSA-N	0	2	395.173	3.505	50	10		GHCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)c1	ZINC000001206864	206366181	/nfs/dbraw/zinc/36/61/81/206366181.db2.gz	JHIXMTCZKCSBJZ-MHWRWJLKSA-N	0	2	399.244	3.732	50	10		GHCALN
Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000002084009	206398947	/nfs/dbraw/zinc/39/89/47/206398947.db2.gz	LDXQJMVOLDCGAV-ZROIWOOFSA-N	0	2	390.226	3.881	50	10		GHCALN
COc1cc(OC)c(OC)cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000013765465	136201422	/nfs/dbraw/zinc/20/14/22/136201422.db2.gz	LLHHPEPZXVMQSR-DHDCSXOGSA-N	0	2	396.399	3.528	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1C	ZINC000004704715	570395806	/nfs/dbraw/zinc/39/58/06/570395806.db2.gz	XNPOHOYZTGZBJV-XSFVSMFZSA-N	0	2	389.455	3.570	50	10		GHCALN
Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)Nc1ccc(O)cc1	ZINC000036352575	570634215	/nfs/dbraw/zinc/63/42/15/570634215.db2.gz	OTTPLIHHELSPSX-UHFFFAOYSA-N	0	2	377.853	3.649	50	10		GHCALN
COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000014011097	207008509	/nfs/dbraw/zinc/00/85/09/207008509.db2.gz	FSJQEJIEKOUJCC-ZROIWOOFSA-N	0	2	391.210	3.668	50	10		GHCALN
COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000014011121	207007701	/nfs/dbraw/zinc/00/77/01/207007701.db2.gz	SRQIODOTYGGWNA-YBEGLDIGSA-N	0	2	384.819	3.632	50	10		GHCALN
COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2ccc(C)c(C)c2)N=C1C	ZINC000096793232	208324033	/nfs/dbraw/zinc/32/40/33/208324033.db2.gz	SVYUZGYWSVPZNO-GZTJUZNOSA-N	0	2	380.404	3.939	50	10		GHCALN
CCN1C(=O)/C(=C\c2ccc(-c3ccc(O)c([N+](=O)[O-])c3)o2)SC1=S	ZINC000098086321	208367294	/nfs/dbraw/zinc/36/72/94/208367294.db2.gz	VMMJQLGTHNLJIZ-RIYZIHGNSA-N	0	2	376.415	3.782	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1	ZINC000100391848	136189102	/nfs/dbraw/zinc/18/91/02/136189102.db2.gz	ZKWUADZMZJNPSZ-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CC=Cc1ccccc1	ZINC000008971680	136195847	/nfs/dbraw/zinc/19/58/47/136195847.db2.gz	NLVMTXFZKYDHPR-QSJINSDNSA-N	0	2	397.228	3.876	50	10		GHCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3Br)C2=O)c1	ZINC000001214928	136196235	/nfs/dbraw/zinc/19/62/35/136196235.db2.gz	PNDRXYBXQGFGIG-XNTDXEJSSA-N	0	2	399.244	3.732	50	10		GHCALN
Cc1ccc(C)n1-c1ccc(C(=O)OCc2nc(=O)c3sccc3[nH]2)cc1	ZINC000005174320	570659885	/nfs/dbraw/zinc/65/98/85/570659885.db2.gz	QROFUFROOUTCAT-UHFFFAOYSA-N	0	2	379.441	3.749	50	10		GHCALN
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1Cl	ZINC000036622629	570766795	/nfs/dbraw/zinc/76/67/95/570766795.db2.gz	FAYWWNCPTIDCBX-UHFFFAOYSA-N	0	2	385.601	3.646	50	10		GHCALN
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000002287094	854923168	/nfs/dbraw/zinc/92/31/68/854923168.db2.gz	BINVLJAEFMLKBL-MBXCTOFRSA-N	0	2	386.329	3.928	50	10		GHCALN
Cc1c(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C	ZINC000000654844	206313238	/nfs/dbraw/zinc/31/32/38/206313238.db2.gz	QPMJXHFLSUQFFN-BOPFTXTBSA-N	0	2	393.830	3.807	50	10		GHCALN
Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1	ZINC000001786860	208499227	/nfs/dbraw/zinc/49/92/27/208499227.db2.gz	CBTHGXMOCMDMFR-UHFFFAOYSA-N	0	2	391.456	3.756	50	10		GHCALN
O=C(OCc1ccccc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O	ZINC000003220241	862260847	/nfs/dbraw/zinc/26/08/47/862260847.db2.gz	MOOSGGCYTIBLFY-UHFFFAOYSA-N	0	2	389.454	3.612	50	10		GHCALN
Cc1oc2c(ccc([O-])c2CN2CC[NH+](C)CC2)c(=O)c1-c1ccc(Cl)cc1	ZINC000020439627	206296081	/nfs/dbraw/zinc/29/60/81/206296081.db2.gz	UXLJUUYMZSLDDZ-UHFFFAOYSA-N	0	2	398.890	3.875	50	10		GHCALN
Cc1oc2c(ccc([O-])c2C[NH+]2CCN(C)CC2)c(=O)c1-c1ccc(Cl)cc1	ZINC000020439627	206296084	/nfs/dbraw/zinc/29/60/84/206296084.db2.gz	UXLJUUYMZSLDDZ-UHFFFAOYSA-N	0	2	398.890	3.875	50	10		GHCALN
CCN1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)CC1	ZINC000020395325	206296290	/nfs/dbraw/zinc/29/62/90/206296290.db2.gz	JTLYLIWWPNIZKT-UHFFFAOYSA-N	0	2	378.472	3.612	50	10	biogenic	GHCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1	ZINC000001214274	206368497	/nfs/dbraw/zinc/36/84/97/206368497.db2.gz	QRODMFTYJGXFMP-XDHOZWIPSA-N	0	2	378.428	3.757	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl	ZINC000016662460	207076407	/nfs/dbraw/zinc/07/64/07/207076407.db2.gz	RMRZBSUUEZCSMY-FMIVXFBMSA-N	0	2	376.199	3.572	50	10		GHCALN
CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000027571750	207326906	/nfs/dbraw/zinc/32/69/06/207326906.db2.gz	SWOBWAGZEWEABU-IBGZPJMESA-N	0	2	395.415	3.863	50	10		GHCALN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)/C1=C/c1c[nH]c2ccccc12	ZINC000002250517	570280442	/nfs/dbraw/zinc/28/04/42/570280442.db2.gz	WXLHNZZHYWXAIN-LDADJPATSA-N	0	2	381.391	3.988	50	10		GHCALN
Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000100106641	570290159	/nfs/dbraw/zinc/29/01/59/570290159.db2.gz	LDXQJMVOLDCGAV-NTEUORMPSA-N	0	2	390.226	3.881	50	10		GHCALN
CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000005034470	570402346	/nfs/dbraw/zinc/40/23/46/570402346.db2.gz	RVSGHJRMKCMCIP-CPOQMQJTSA-N	0	2	391.471	3.933	50	10		GHCALN
Cc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)s1	ZINC000013773606	570788981	/nfs/dbraw/zinc/78/89/81/570788981.db2.gz	BMFVJUHCULECMA-JYRVWZFOSA-N	0	2	380.347	3.742	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)c1	ZINC000001179606	206363746	/nfs/dbraw/zinc/36/37/46/206363746.db2.gz	SHAAQEGZPYSJEA-WOJGMQOQSA-N	0	2	384.395	3.959	50	10		GHCALN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000001200809	206366863	/nfs/dbraw/zinc/36/68/63/206366863.db2.gz	CBVLBJOCCWBENM-CPNJWEJPSA-N	0	2	378.428	3.875	50	10		GHCALN
O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000001216427	206367630	/nfs/dbraw/zinc/36/76/30/206367630.db2.gz	KSEWVAJJCIRFDQ-GHXNOFRVSA-N	0	2	395.615	3.703	50	10		GHCALN
CCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc21	ZINC000001846621	206393484	/nfs/dbraw/zinc/39/34/84/206393484.db2.gz	KWSJOKWOLFZBDQ-ATVHPVEESA-N	0	2	379.391	3.715	50	10		GHCALN
CCCCS(CCCC)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000016662493	207076123	/nfs/dbraw/zinc/07/61/23/207076123.db2.gz	IELJMNQRRRMVFJ-UHFFFAOYSA-N	0	2	382.913	3.964	50	10		GHCALN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC	ZINC000017056775	207082576	/nfs/dbraw/zinc/08/25/76/207082576.db2.gz	OCWNCUYFVLYVNV-XNTDXEJSSA-N	0	2	380.400	3.827	50	10		GHCALN
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000000725518	570306709	/nfs/dbraw/zinc/30/67/09/570306709.db2.gz	OZTRYSPPKYVFKP-RIYZIHGNSA-N	0	2	377.625	3.564	50	10		GHCALN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(Cl)c2)C1=O	ZINC000004471868	570376238	/nfs/dbraw/zinc/37/62/38/570376238.db2.gz	JRBOOFMWWMZHCU-UVTDQMKNSA-N	0	2	384.819	3.577	50	10		GHCALN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000004545047	570856516	/nfs/dbraw/zinc/85/65/16/570856516.db2.gz	REOJGFICRHLHSD-KGHZBTQCSA-N	0	2	389.337	3.654	50	10		GHCALN
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	ZINC000003363428	901146669	/nfs/dbraw/zinc/14/66/69/901146669.db2.gz	VBEJPQIOOSEMCS-XMHGGMMESA-N	0	2	385.423	3.761	50	10		GHCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc12	ZINC000001066757	206348998	/nfs/dbraw/zinc/34/89/98/206348998.db2.gz	SCPJKZYVPFLXRO-QGOAFFKASA-N	0	2	386.407	3.823	50	10		GHCALN
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1	ZINC000001206621	206366600	/nfs/dbraw/zinc/36/66/00/206366600.db2.gz	SXXFQZCGHMWNGW-ZHZULCJRSA-N	0	2	385.423	3.761	50	10		GHCALN
O=C1C(=CNc2cccc(F)c2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000100397141	208377267	/nfs/dbraw/zinc/37/72/67/208377267.db2.gz	GNKGXLMEMWQTLO-NTEUORMPSA-N	0	2	394.284	3.995	50	10		GHCALN
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000002969258	136196554	/nfs/dbraw/zinc/19/65/54/136196554.db2.gz	AWYCNYSLLONIDF-NTCAYCPXSA-N	0	2	384.819	3.795	50	10		GHCALN
CC(=O)Nc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000100069900	570253010	/nfs/dbraw/zinc/25/30/10/570253010.db2.gz	BSPUZAZSCCHEJY-MHWRWJLKSA-N	0	2	398.806	3.718	50	10		GHCALN
CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000101346798	570821014	/nfs/dbraw/zinc/82/10/14/570821014.db2.gz	VAKGBAJIHLXWCS-XNTDXEJSSA-N	0	2	381.348	3.530	50	10		GHCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)c1	ZINC000008994469	856694983	/nfs/dbraw/zinc/69/49/83/856694983.db2.gz	AIGFYEPWDRGOOW-BOPFTXTBSA-N	0	2	375.384	3.992	50	10		GHCALN
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	ZINC000001225714	918544667	/nfs/dbraw/zinc/54/46/67/918544667.db2.gz	TYHIJQRUCOOSRI-NBVRZTHBSA-N	0	2	377.444	3.508	50	10		GHCALN
Cc1ccccc1N1C(=O)NC(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000001192557	206365318	/nfs/dbraw/zinc/36/53/18/206365318.db2.gz	RVXUWRSMXZKHEE-UJHPFZFGSA-N	0	2	377.356	3.966	50	10		GHCALN
O=S(=O)(Nc1c(F)c(F)c(O)c(F)c1F)c1ccc2c(c1)CCCC2	ZINC000095426628	208181032	/nfs/dbraw/zinc/18/10/32/208181032.db2.gz	XMMIZMAIGVQFBS-UHFFFAOYSA-N	0	2	375.343	3.628	50	10		GHCALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c1	ZINC000004976935	209120908	/nfs/dbraw/zinc/12/09/08/209120908.db2.gz	AXCXDQTWMFCUFZ-UHFFFAOYSA-N	0	2	378.793	3.908	50	10		GHCALN
CC[C@H](C)[C@@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000004026506	206293440	/nfs/dbraw/zinc/29/34/40/206293440.db2.gz	DWLSLOKNTKMQTC-RNODOKPDSA-N	0	2	381.428	3.755	50	10	biogenic	GHCALN
Cc1c(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1C	ZINC000001214597	206368066	/nfs/dbraw/zinc/36/80/66/206368066.db2.gz	KEYSESGTZPYXQJ-XDHOZWIPSA-N	0	2	387.439	3.770	50	10		GHCALN
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000100041139	208371519	/nfs/dbraw/zinc/37/15/19/208371519.db2.gz	ORQSHZOYUXLXSX-YBEGLDIGSA-N	0	2	395.375	3.838	50	10		GHCALN
CCOc1cccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000001172495	136196056	/nfs/dbraw/zinc/19/60/56/136196056.db2.gz	KQODWKRQEJYFAL-MHWRWJLKSA-N	0	2	381.344	3.500	50	10		GHCALN
COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O	ZINC000012462288	570670724	/nfs/dbraw/zinc/67/07/24/570670724.db2.gz	ILDFNNWVDDQBMD-ZSOIEALJSA-N	0	2	377.227	3.772	50	10		GHCALN
CC(C)C1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=N)S1	ZINC000001185250	206365522	/nfs/dbraw/zinc/36/55/22/206365522.db2.gz	VHGZNRZYVOZKDT-OVGWVUCOSA-N	0	2	383.260	3.974	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1	ZINC000001192638	206365873	/nfs/dbraw/zinc/36/58/73/206365873.db2.gz	QZANPHGZCVRPOS-AQTBWJFISA-N	0	2	395.846	3.607	50	10		GHCALN
COc1ccc(N=CC2C(=O)N(c3cccc(Cl)c3)N=C2C)c([N+](=O)[O-])c1	ZINC000100535675	208376319	/nfs/dbraw/zinc/37/63/19/208376319.db2.gz	PLQJZXNBEODRGC-XNTDXEJSSA-N	0	2	386.795	3.975	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000000755186	527048616	/nfs/dbraw/zinc/04/86/16/527048616.db2.gz	NLVMTXFZKYDHPR-LHQXNBGVSA-N	0	2	397.228	3.672	50	10		GHCALN
CC(=O)C(=C(C)O)c1c2occ(C(=O)c3ccccc3)c2c(O)c(O)c1Cl	ZINC000004038704	570355209	/nfs/dbraw/zinc/35/52/09/570355209.db2.gz	IIXFNJQVQREYEM-UHFFFAOYSA-N	0	2	386.787	3.990	50	10	aggregator	GHCALN
O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21	ZINC000038611779	570580886	/nfs/dbraw/zinc/58/08/86/570580886.db2.gz	DYALWCKAJBVSBZ-UHFFFAOYSA-N	0	2	376.324	3.525	50	10		GHCALN
COc1ccccc1NC(=O)Cc1noc(-c2sc3ccccc3c2O)n1	ZINC000012978222	570735518	/nfs/dbraw/zinc/73/55/18/570735518.db2.gz	MYDSHVYZWZXWQV-UHFFFAOYSA-N	0	2	381.413	3.847	50	10		GHCALN
COc1ccccc1NC(=O)Cc1noc(C2Sc3ccccc3C2=O)n1	ZINC000012978222	570735519	/nfs/dbraw/zinc/73/55/19/570735519.db2.gz	MYDSHVYZWZXWQV-UHFFFAOYSA-N	0	2	381.413	3.847	50	10		GHCALN
CCOc1ccccc1Oc1coc2c(ccc([O-])c2C[NH+]2CCOCC2)c1=O	ZINC000020439925	206296519	/nfs/dbraw/zinc/29/65/19/206296519.db2.gz	ZPEAKAPIXAPYOF-UHFFFAOYSA-N	0	2	397.427	3.522	50	10		GHCALN
CCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)ccc21	ZINC000001846479	206392940	/nfs/dbraw/zinc/39/29/40/206392940.db2.gz	QIDIZASZTOKMGA-LGMDPLHJSA-N	0	2	375.428	3.884	50	10		GHCALN
COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	ZINC000007052467	570773662	/nfs/dbraw/zinc/77/36/62/570773662.db2.gz	WNNUSONCQAPIPR-UHFFFAOYSA-N	0	2	376.459	3.628	50	10		GHCALN
CC(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1	ZINC000008036111	863017932	/nfs/dbraw/zinc/01/79/32/863017932.db2.gz	VFQRQVHVHXNXCL-UHFFFAOYSA-N	0	2	386.454	3.706	50	10		GHCALN
COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC	ZINC000009332129	206321804	/nfs/dbraw/zinc/32/18/04/206321804.db2.gz	LOFKCNDPUVIMFL-PTNGSMBKSA-N	0	2	396.399	3.528	50	10		GHCALN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl	ZINC000001220291	206369562	/nfs/dbraw/zinc/36/95/62/206369562.db2.gz	DPEFZHRDHZVWGG-XNTDXEJSSA-N	0	2	384.819	3.714	50	10		GHCALN
Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)ccc1Br	ZINC000328589796	452922251	/nfs/dbraw/zinc/92/22/51/452922251.db2.gz	FQKUQDJAHLEEGP-UHFFFAOYSA-N	0	2	378.194	3.542	50	10		GHCALN
COc1cccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3OC)n2)c1	ZINC000011615525	570236039	/nfs/dbraw/zinc/23/60/39/570236039.db2.gz	GMYRTMJUFUVBDC-UHFFFAOYSA-N	0	2	390.486	3.937	50	10		GHCALN
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000004680110	570392627	/nfs/dbraw/zinc/39/26/27/570392627.db2.gz	XECZFUXVSQMNCW-VUODPORTSA-N	0	2	378.428	3.839	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1C	ZINC000004704542	570395743	/nfs/dbraw/zinc/39/57/43/570395743.db2.gz	LZQFSDUPASUUOZ-AQTBWJFISA-N	0	2	393.443	3.553	50	10		GHCALN
COc1ccc(Sc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1	ZINC000005028552	570399888	/nfs/dbraw/zinc/39/98/88/570399888.db2.gz	BGHUONGYAOZKSV-QGOAFFKASA-N	0	2	392.436	3.901	50	10		GHCALN
COC(=O)c1ccccc1N=C(C)C1C(C)=NN(c2ccc(OC)cc2)C1=O	ZINC000100423113	208376720	/nfs/dbraw/zinc/37/67/20/208376720.db2.gz	SYCCLQDFQXHPLK-UYRXBGFRSA-N	0	2	379.416	3.590	50	10		GHCALN
COC(=O)c1ccccc1N=C(C)c1c(C)[nH]n(-c2ccc(OC)cc2)c1=O	ZINC000100423113	208376726	/nfs/dbraw/zinc/37/67/26/208376726.db2.gz	SYCCLQDFQXHPLK-UYRXBGFRSA-N	0	2	379.416	3.590	50	10		GHCALN
Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1C[NH2+][C@@H](C(=O)[O-])C(C)C	ZINC000011866772	570441908	/nfs/dbraw/zinc/44/19/08/570441908.db2.gz	ZKHLJRPPHRLYGR-HXUWFJFHSA-N	0	2	381.428	3.673	50	10		GHCALN
CCn1cc(C=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)c2ccccc21	ZINC000002403527	209361307	/nfs/dbraw/zinc/36/13/07/209361307.db2.gz	SLRSTMMKBGVBJK-FOWTUZBSSA-N	0	2	389.411	3.541	50	10		GHCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000001125658	570244123	/nfs/dbraw/zinc/24/41/23/570244123.db2.gz	CHPIAIWTJKHKNE-FMIVXFBMSA-N	0	2	391.210	3.668	50	10		GHCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Br)o1	ZINC000008771686	570540924	/nfs/dbraw/zinc/54/09/24/570540924.db2.gz	FQZZJCRPLDMOKP-YRNVUSSQSA-N	0	2	379.141	3.688	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000004456492	570785088	/nfs/dbraw/zinc/78/50/88/570785088.db2.gz	GQZDYKMVXCYNQZ-LCYFTJDESA-N	0	2	391.210	3.668	50	10		GHCALN
CC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1	ZINC000009550360	857229377	/nfs/dbraw/zinc/22/93/77/857229377.db2.gz	GOZNCZWZWMFDJX-UHFFFAOYSA-N	0	2	376.434	3.953	50	10		GHCALN
CSc1nc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2s1	ZINC000019108050	210225587	/nfs/dbraw/zinc/22/55/87/210225587.db2.gz	GJTGCHMORFPTRA-UHFFFAOYSA-N	0	2	394.528	3.824	50	10		GHCALN
CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000015722685	210163948	/nfs/dbraw/zinc/16/39/48/210163948.db2.gz	CBVLBJOCCWBENM-UYRXBGFRSA-N	0	2	378.428	3.875	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1	ZINC000001406624	209326458	/nfs/dbraw/zinc/32/64/58/209326458.db2.gz	WXKKRFFTBPALMC-GZTJUZNOSA-N	0	2	375.384	3.694	50	10		GHCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000001201319	209312697	/nfs/dbraw/zinc/31/26/97/209312697.db2.gz	CEGXUDVZSOYDNV-CPNJWEJPSA-N	0	2	377.444	3.542	50	10		GHCALN
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000033394489	570299823	/nfs/dbraw/zinc/29/98/23/570299823.db2.gz	JERUUTUBUATBSB-DHDCSXOGSA-N	0	2	388.426	3.715	50	10		GHCALN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000101469843	570826013	/nfs/dbraw/zinc/82/60/13/570826013.db2.gz	REOJGFICRHLHSD-XGBCSFPLSA-N	0	2	389.337	3.654	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000002892707	847939131	/nfs/dbraw/zinc/93/91/31/847939131.db2.gz	IHRQOGSIMWPDTR-ZROIWOOFSA-N	0	2	376.199	3.572	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC)c4ccccc34)C2=O)cc1	ZINC000009111561	856802938	/nfs/dbraw/zinc/80/29/38/856802938.db2.gz	WACFLZKAXHGLRZ-CPNJWEJPSA-N	0	2	387.439	3.890	50	10		GHCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc12	ZINC000015659259	919381123	/nfs/dbraw/zinc/38/11/23/919381123.db2.gz	KJGCKKVUNYUHQO-UYRXBGFRSA-N	0	2	386.407	3.823	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000001214718	209315085	/nfs/dbraw/zinc/31/50/85/209315085.db2.gz	LFIHHQFSNLYAKY-FOWTUZBSSA-N	0	2	399.834	3.590	50	10		GHCALN
CC1=NN(c2ccccc2C)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100931031	211394142	/nfs/dbraw/zinc/39/41/42/211394142.db2.gz	XEKYZFSLXGDMKK-MHWRWJLKSA-N	0	2	381.348	3.530	50	10		GHCALN
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c4c(cccc42)CC3)C1=O	ZINC000005060635	570427331	/nfs/dbraw/zinc/42/73/31/570427331.db2.gz	PWQKSZXDVMYISF-AQTBWJFISA-N	0	2	398.418	3.613	50	10		GHCALN
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O	ZINC000005059043	843425085	/nfs/dbraw/zinc/42/50/85/843425085.db2.gz	QTKWNUWIULLIRQ-KPKJPENVSA-N	0	2	393.251	3.530	50	10		GHCALN
C[C@@H]1Cc2cc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)ccc2O1	ZINC000013897548	210095571	/nfs/dbraw/zinc/09/55/71/210095571.db2.gz	DKYLXPXPXYCNBP-GJRQGDOSSA-N	0	2	389.238	3.778	50	10		GHCALN
Cc1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000002457880	211612892	/nfs/dbraw/zinc/61/28/92/211612892.db2.gz	PZSZGUDKGVZJAK-UHFFFAOYSA-N	0	2	384.280	3.563	50	10		GHCALN
COc1ccc(N=CC2C(=O)N(c3ccc(Cl)cc3)N=C2C)c([N+](=O)[O-])c1	ZINC000100316591	211386492	/nfs/dbraw/zinc/38/64/92/211386492.db2.gz	DLLGCTNXMGUYPC-XNTDXEJSSA-N	0	2	386.795	3.975	50	10		GHCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1	ZINC000004794790	136194050	/nfs/dbraw/zinc/19/40/50/136194050.db2.gz	IIUCPGKIHZLNOJ-UNOMPAQXSA-N	0	2	387.439	3.968	50	10		GHCALN
C[C@H](Oc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cn1)c1ccccc1	ZINC000065607985	570840036	/nfs/dbraw/zinc/84/00/36/570840036.db2.gz	GDKYDDVUXQPBQM-AWEZNQCLSA-N	0	2	393.399	3.765	50	10		GHCALN
CCC[C@@H]([NH2+]Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O)C(=O)[O-]	ZINC000004540336	570851518	/nfs/dbraw/zinc/85/15/18/570851518.db2.gz	MIAYPQQSTPAUKY-QGZVFWFLSA-N	0	2	381.428	3.817	50	10		GHCALN
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000013576068	210068837	/nfs/dbraw/zinc/06/88/37/210068837.db2.gz	JERUUTUBUATBSB-OQLLNIDSSA-N	0	2	388.426	3.715	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)cc1C	ZINC000001186665	209312414	/nfs/dbraw/zinc/31/24/14/209312414.db2.gz	NJLGEVSDMQZBNL-MHWRWJLKSA-N	0	2	388.345	3.989	50	10		GHCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000001225846	209227389	/nfs/dbraw/zinc/22/73/89/209227389.db2.gz	SYYIIHYXYDSMEH-LFIBNONCSA-N	0	2	381.344	3.500	50	10		GHCALN
CN1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1	ZINC000019791816	210297820	/nfs/dbraw/zinc/29/78/20/210297820.db2.gz	JEOAVVNXQIMAFK-UHFFFAOYSA-N	0	2	384.863	3.566	50	10	biogenic	GHCALN
C[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1	ZINC000019791816	210297824	/nfs/dbraw/zinc/29/78/24/210297824.db2.gz	JEOAVVNXQIMAFK-UHFFFAOYSA-N	0	2	384.863	3.566	50	10	biogenic	GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1Cl	ZINC000100394962	136189121	/nfs/dbraw/zinc/18/91/21/136189121.db2.gz	FHIIIZXUVKNCHI-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000002958927	570320247	/nfs/dbraw/zinc/32/02/47/570320247.db2.gz	MNLZMVAFEXOGOC-FMIVXFBMSA-N	0	2	388.782	3.544	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1	ZINC000004845967	570412149	/nfs/dbraw/zinc/41/21/49/570412149.db2.gz	YXEMCNXGXDEDFU-WJDWOHSUSA-N	0	2	384.819	3.577	50	10		GHCALN
COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000000973059	209284873	/nfs/dbraw/zinc/28/48/73/209284873.db2.gz	BKZRQBWZMKOFQC-UHFFFAOYSA-N	0	2	391.430	3.528	50	10		GHCALN
O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000000694617	209260786	/nfs/dbraw/zinc/26/07/86/209260786.db2.gz	IJSNECNIBOMXHU-NTEUORMPSA-N	0	2	377.625	3.564	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000004824353	570292128	/nfs/dbraw/zinc/29/21/28/570292128.db2.gz	VDNWMRUOLOYKGP-UKTHLTGXSA-N	0	2	375.211	3.968	50	10		GHCALN
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl	ZINC000002958801	570320108	/nfs/dbraw/zinc/32/01/08/570320108.db2.gz	UMIFPKWBBPUFGV-GXDHUFHOSA-N	0	2	384.819	3.714	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)cc1	ZINC000004703296	570395439	/nfs/dbraw/zinc/39/54/39/570395439.db2.gz	YFFGSWXBTKQLTD-XMHGGMMESA-N	0	2	389.455	3.570	50	10		GHCALN
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1	ZINC000005649288	570679072	/nfs/dbraw/zinc/67/90/72/570679072.db2.gz	LBNFBZKJINTBOD-ZSOIEALJSA-N	0	2	377.625	3.564	50	10		GHCALN
CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	ZINC000013810446	210092328	/nfs/dbraw/zinc/09/23/28/210092328.db2.gz	PRCFKUVSFGLLEX-BOPFTXTBSA-N	0	2	393.830	3.981	50	10		GHCALN
CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc[nH]n3)c2)cc1	ZINC000006239799	570376932	/nfs/dbraw/zinc/37/69/32/570376932.db2.gz	DKHJPMFAKKYMKF-UHFFFAOYSA-N	0	2	390.490	3.586	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000005061557	843440153	/nfs/dbraw/zinc/44/01/53/843440153.db2.gz	LJGRKKXVARZYBF-JYRVWZFOSA-N	0	2	375.211	3.968	50	10		GHCALN
CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(O)c1	ZINC000017138362	210206390	/nfs/dbraw/zinc/20/63/90/210206390.db2.gz	UEZJPCACURQJFR-PTNGSMBKSA-N	0	2	397.406	3.884	50	10		GHCALN
COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-]	ZINC000001215304	209314997	/nfs/dbraw/zinc/31/49/97/209314997.db2.gz	DNQVMWGTQJDOAU-OQLLNIDSSA-N	0	2	395.371	3.727	50	10		GHCALN
COc1ccccc1-c1c(O)c2ccc([O-])c(C[NH+]3CCCCC3)c2oc1=O	ZINC000020650201	209236044	/nfs/dbraw/zinc/23/60/44/209236044.db2.gz	OMFRITSCEXDSTE-UHFFFAOYSA-N	0	2	381.428	3.866	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000095471047	136179389	/nfs/dbraw/zinc/17/93/89/136179389.db2.gz	XBDCXQZGKOSZOZ-LCYFTJDESA-N	0	2	390.226	3.881	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1Cl	ZINC000005648021	570679146	/nfs/dbraw/zinc/67/91/46/570679146.db2.gz	FHIIIZXUVKNCHI-FMIVXFBMSA-N	0	2	376.199	3.572	50	10		GHCALN
CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	ZINC000013552782	210066664	/nfs/dbraw/zinc/06/66/64/210066664.db2.gz	PRCFKUVSFGLLEX-GZTJUZNOSA-N	0	2	393.830	3.981	50	10		GHCALN
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccco1	ZINC000002297674	209354549	/nfs/dbraw/zinc/35/45/49/209354549.db2.gz	WWBUUQGJPFLCAN-BOAPOFAJSA-N	0	2	376.290	3.521	50	10		GHCALN
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1=O	ZINC000002256945	209352380	/nfs/dbraw/zinc/35/23/80/209352380.db2.gz	SLUMYRNDCAWEKH-DHZHZOJOSA-N	0	2	391.210	3.668	50	10		GHCALN
CCCC[C@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000002132695	209347547	/nfs/dbraw/zinc/34/75/47/209347547.db2.gz	BFMLXWKWRCWUGE-SFHVURJKSA-N	0	2	381.428	3.899	50	10	biogenic	GHCALN
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Br)c2)cc1	ZINC000001234490	209317619	/nfs/dbraw/zinc/31/76/19/209317619.db2.gz	ZBFHHGMRUMLJBB-UHFFFAOYSA-N	0	2	376.659	3.917	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC)c4ccccc34)C2=O)cc1	ZINC000004703289	570395422	/nfs/dbraw/zinc/39/54/22/570395422.db2.gz	WACFLZKAXHGLRZ-UYRXBGFRSA-N	0	2	387.439	3.890	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000002208669	209349503	/nfs/dbraw/zinc/34/95/03/209349503.db2.gz	LBJWOFLODUDDOT-QGOAFFKASA-N	0	2	391.814	3.797	50	10		GHCALN
COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000001192799	209312277	/nfs/dbraw/zinc/31/22/77/209312277.db2.gz	XOILSRWIGIZZME-CPNJWEJPSA-N	0	2	386.407	3.823	50	10		GHCALN
CCN1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1	ZINC000020392882	209234860	/nfs/dbraw/zinc/23/48/60/209234860.db2.gz	HFHNTYALTIMBJB-UHFFFAOYSA-N	0	2	398.890	3.957	50	10		GHCALN
CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100041001	211382810	/nfs/dbraw/zinc/38/28/10/211382810.db2.gz	WSNXTRNUBBXDJU-YVLHZVERSA-N	0	2	381.348	3.530	50	10		GHCALN
Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000008994942	136195813	/nfs/dbraw/zinc/19/58/13/136195813.db2.gz	PNLSSMXWJHOOTL-MDWZMJQESA-N	0	2	375.178	3.857	50	10		GHCALN
Cc1ccc2[nH]cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1	ZINC000004833398	570409511	/nfs/dbraw/zinc/40/95/11/570409511.db2.gz	HNJDSAXHALXSBR-SXGWCWSVSA-N	0	2	379.803	3.796	50	10		GHCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1	ZINC000004677808	570823804	/nfs/dbraw/zinc/82/38/04/570823804.db2.gz	NZXYSOGWABXJTQ-XSFVSMFZSA-N	0	2	389.455	3.570	50	10		GHCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c2ccccc12	ZINC000001192802	918514324	/nfs/dbraw/zinc/51/43/24/918514324.db2.gz	MMEXGIYVHPONDV-CPNJWEJPSA-N	0	2	386.407	3.823	50	10		GHCALN
CC1=NN(c2ccc(C)cc2C)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100507682	211385989	/nfs/dbraw/zinc/38/59/89/211385989.db2.gz	KLAKDXNHACAHTO-LICLKQGHSA-N	0	2	395.375	3.838	50	10		GHCALN
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000001215099	136196120	/nfs/dbraw/zinc/19/61/20/136196120.db2.gz	FSJQEJIEKOUJCC-NTEUORMPSA-N	0	2	391.210	3.668	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Br)C2=O)cc1C	ZINC000001183992	570256209	/nfs/dbraw/zinc/25/62/09/570256209.db2.gz	HENRNTWTKZMYRN-XNTDXEJSSA-N	0	2	399.244	3.732	50	10		GHCALN
O=S(=O)(Nc1ccc(O)c(Sc2nc[nH]n2)c1)c1cccc2ccccc21	ZINC000005595383	570448341	/nfs/dbraw/zinc/44/83/41/570448341.db2.gz	ZVTCYLUCAHANJI-UHFFFAOYSA-N	0	2	398.469	3.616	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1C	ZINC000002980076	570524733	/nfs/dbraw/zinc/52/47/33/570524733.db2.gz	VWKMNDITVHCTMB-XSFVSMFZSA-N	0	2	385.423	3.761	50	10		GHCALN
O=C(NCc1cc([N+](=O)[O-])ccc1O)C1c2ccccc2Oc2ccccc21	ZINC000036622618	570766801	/nfs/dbraw/zinc/76/68/01/570766801.db2.gz	RVFXBDPPEXEIMR-UHFFFAOYSA-N	0	2	376.368	3.854	50	10		GHCALN
O=C1C[C@@H](c2ccco2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1	ZINC000096115435	860786971	/nfs/dbraw/zinc/78/69/71/860786971.db2.gz	OYYMXKIAVDZMDR-LBPRGKRZSA-N	0	2	390.347	3.905	50	10	biogenic	GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000013660255	210075094	/nfs/dbraw/zinc/07/50/94/210075094.db2.gz	LMHGAHBALISQHO-HKWRFOASSA-N	0	2	391.471	3.762	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1Cl	ZINC000002742175	209381484	/nfs/dbraw/zinc/38/14/84/209381484.db2.gz	MAFBSGMBYQRGMG-LUAWRHEFSA-N	0	2	376.199	3.572	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)c1	ZINC000004672589	570819445	/nfs/dbraw/zinc/81/94/45/570819445.db2.gz	BNQUEGZWZRWXQO-SDQBBNPISA-N	0	2	391.210	3.674	50	10		GHCALN
COC(=O)c1c(C)c(C(C)=O)sc1N=CC1C(C)=NN(c2ccccc2)C1=O	ZINC000044827028	570978371	/nfs/dbraw/zinc/97/83/71/570978371.db2.gz	DAYOUXPDQGCUMS-GDNBJRDFSA-N	0	2	397.456	3.764	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1cccc(Cl)c1	ZINC000017086462	210204677	/nfs/dbraw/zinc/20/46/77/210204677.db2.gz	RJQUNKWVKMECEC-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000001233298	209316208	/nfs/dbraw/zinc/31/62/08/209316208.db2.gz	YRVNGDOPTRPBPN-QGOAFFKASA-N	0	2	397.862	3.853	50	10		GHCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c5c(cccc53)CC4)C2=O)c1	ZINC000005060606	570427266	/nfs/dbraw/zinc/42/72/66/570427266.db2.gz	GGSBZOUUFOPMLG-NDENLUEZSA-N	0	2	398.418	3.613	50	10		GHCALN
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1	ZINC000036132244	570560472	/nfs/dbraw/zinc/56/04/72/570560472.db2.gz	LJVPLAIIQISBKY-WJDWOHSUSA-N	0	2	386.454	3.744	50	10		GHCALN
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000101141980	570816059	/nfs/dbraw/zinc/81/60/59/570816059.db2.gz	YSDORKWRXDYONX-MHWRWJLKSA-N	0	2	395.375	3.838	50	10		GHCALN
Cc1n[nH]c(SC(=Cc2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C(=O)[O-])n1	ZINC000004687787	570834041	/nfs/dbraw/zinc/83/40/41/570834041.db2.gz	RQWCSITUHFWHBA-WOJGMQOQSA-N	0	2	397.504	3.804	50	10		GHCALN
CCCC(=O)N[C@@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000027571742	855204778	/nfs/dbraw/zinc/20/47/78/855204778.db2.gz	BCQOYHYBKLVVQH-IBGZPJMESA-N	0	2	395.415	3.863	50	10		GHCALN
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O	ZINC000008856478	856388368	/nfs/dbraw/zinc/38/83/68/856388368.db2.gz	KCEOZAHBADHPPD-QPEQYQDCSA-N	0	2	386.791	3.869	50	10		GHCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000005061568	858498140	/nfs/dbraw/zinc/49/81/40/858498140.db2.gz	CEGXUDVZSOYDNV-UYRXBGFRSA-N	0	2	377.444	3.542	50	10		GHCALN
CC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1ccc(Br)cn1	ZINC000015219954	210153740	/nfs/dbraw/zinc/15/37/40/210153740.db2.gz	NYSBNLWCLNJVPJ-ZROIWOOFSA-N	0	2	375.201	3.702	50	10		GHCALN
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000000921053	209279323	/nfs/dbraw/zinc/27/93/23/209279323.db2.gz	CYZMJEXONZUVTE-GZTJUZNOSA-N	0	2	384.819	3.794	50	10		GHCALN
CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000001173551	136196216	/nfs/dbraw/zinc/19/62/16/136196216.db2.gz	YKQYZIDQRQHIQQ-MHWRWJLKSA-N	0	2	384.819	3.714	50	10		GHCALN
COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	ZINC000021670060	136203180	/nfs/dbraw/zinc/20/31/80/136203180.db2.gz	DHDSSTPGSFFDOL-WJDWOHSUSA-N	0	2	380.400	3.827	50	10		GHCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1Cl	ZINC000008914956	536657651	/nfs/dbraw/zinc/65/76/51/536657651.db2.gz	WLXPGQANMVLGGM-RIYZIHGNSA-N	0	2	395.802	3.701	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1	ZINC000001424491	570999825	/nfs/dbraw/zinc/99/98/25/570999825.db2.gz	CLGXQBFSHFXRAN-FOWTUZBSSA-N	0	2	376.343	3.752	50	10		GHCALN
Cc1cc(C)c(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1	ZINC000002837327	846988669	/nfs/dbraw/zinc/98/86/69/846988669.db2.gz	SZLDIENLBARGJA-YBEGLDIGSA-N	0	2	383.835	3.844	50	10		GHCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)cc1	ZINC000009042265	856721801	/nfs/dbraw/zinc/72/18/01/856721801.db2.gz	ACYVXGDSJIXKHT-PDGQHHTCSA-N	0	2	389.411	3.746	50	10		GHCALN
O=C(CCc1ccc(-c2ccccc2F)o1)NCc1cc([N+](=O)[O-])ccc1O	ZINC000015763058	210167183	/nfs/dbraw/zinc/16/71/83/210167183.db2.gz	MHGHMDWZUSNVHJ-UHFFFAOYSA-N	0	2	384.363	3.949	50	10		GHCALN
CCN1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1	ZINC000019791566	210298403	/nfs/dbraw/zinc/29/84/03/210298403.db2.gz	TZDKJEVRXAMMGI-UHFFFAOYSA-N	0	2	398.890	3.957	50	10	biogenic	GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1Cl	ZINC000001178864	136196114	/nfs/dbraw/zinc/19/61/14/136196114.db2.gz	VACFMHSDJXTPRC-WUXMJOGZSA-N	0	2	391.210	3.674	50	10		GHCALN
CCc1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000013948559	570867877	/nfs/dbraw/zinc/86/78/77/570867877.db2.gz	HCVCVOLANRCQLJ-UHFFFAOYSA-N	0	2	398.307	3.817	50	10		GHCALN
CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O	ZINC000038170208	855989188	/nfs/dbraw/zinc/98/91/88/855989188.db2.gz	YQCTXAYFNHEEQR-ZSOIEALJSA-N	0	2	386.791	3.951	50	10		GHCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000001225675	918544881	/nfs/dbraw/zinc/54/48/81/918544881.db2.gz	UROBEINXQSWJIK-LFIBNONCSA-N	0	2	381.344	3.500	50	10		GHCALN
COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000013369925	210058341	/nfs/dbraw/zinc/05/83/41/210058341.db2.gz	GNMJOFFRWYNQLM-VBKFSLOCSA-N	0	2	390.370	3.654	50	10		GHCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-]	ZINC000001146968	209306217	/nfs/dbraw/zinc/30/62/17/209306217.db2.gz	GSMNDTWWVBYKDD-PVZSTHCMSA-N	0	2	381.319	3.797	50	10		GHCALN
Cn1c(SCC(=O)c2sc3ccccc3c2O)nnc1-c1ccc(N)cc1	ZINC000009145614	570550410	/nfs/dbraw/zinc/55/04/10/570550410.db2.gz	CKJIGCKXZXLWTE-UHFFFAOYSA-N	0	2	396.497	3.960	50	10		GHCALN
Cc1c(C)c(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524731031	570765324	/nfs/dbraw/zinc/76/53/24/570765324.db2.gz	HRDURUSTQFCTOI-FXAWDEMLSA-N	0	2	384.520	3.812	50	10	biogenic	GHCALN
Cc1c(C)c(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524731031	570765326	/nfs/dbraw/zinc/76/53/26/570765326.db2.gz	HRDURUSTQFCTOI-FXAWDEMLSA-N	0	2	384.520	3.812	50	10	biogenic	GHCALN
Cc1cc(C(=O)OCC(=O)NCc2cccs2)c(C)n1-c1ccc(F)cc1	ZINC000005689426	570810885	/nfs/dbraw/zinc/81/08/85/570810885.db2.gz	GZBBAOSROCFGJI-UHFFFAOYSA-N	0	2	386.448	3.768	50	10		GHCALN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCCC3)o2)C1=O	ZINC000004739691	570953920	/nfs/dbraw/zinc/95/39/20/570953920.db2.gz	JLCFNJIEZHVBIQ-SAPNQHFASA-N	0	2	393.443	3.635	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000001201245	212228534	/nfs/dbraw/zinc/22/85/34/212228534.db2.gz	LJGRKKXVARZYBF-MDWZMJQESA-N	0	2	375.211	3.968	50	10		GHCALN
CCOc1cccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1O	ZINC000015746263	221343360	/nfs/dbraw/zinc/34/33/60/221343360.db2.gz	UVSCVHHLXDCBJD-NSIKDUERSA-N	0	2	393.226	3.559	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1Cl	ZINC000001161885	570759032	/nfs/dbraw/zinc/75/90/32/570759032.db2.gz	LNZIMGCXKYTXGF-OVCLIPMQSA-N	0	2	379.803	3.796	50	10		GHCALN
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000005671161	570796196	/nfs/dbraw/zinc/79/61/96/570796196.db2.gz	OZTRYSPPKYVFKP-ZSOIEALJSA-N	0	2	377.625	3.564	50	10		GHCALN
CC[C@@H](C)[C@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000004026503	212145554	/nfs/dbraw/zinc/14/55/54/212145554.db2.gz	DWLSLOKNTKMQTC-XCLFUZPHSA-N	0	2	381.428	3.755	50	10	biogenic	GHCALN
CCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)ccc21	ZINC000017196083	221380724	/nfs/dbraw/zinc/38/07/24/221380724.db2.gz	VYFMURNWQJFQTF-QINSGFPZSA-N	0	2	395.846	3.593	50	10		GHCALN
CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000004819466	136196696	/nfs/dbraw/zinc/19/66/96/136196696.db2.gz	FVPDMQKBGSCKEU-SFQUDFHCSA-N	0	2	395.371	3.890	50	10		GHCALN
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(O)cc1	ZINC000016994650	136202045	/nfs/dbraw/zinc/20/20/45/136202045.db2.gz	YNGKDPLQOXRAQT-ZSOIEALJSA-N	0	2	376.290	3.918	50	10		GHCALN
CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000001153655	570249539	/nfs/dbraw/zinc/24/95/39/570249539.db2.gz	DDEGQKVGIPJIME-FKKWJZCKSA-N	0	2	395.846	3.629	50	10		GHCALN
CSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=N)N12	ZINC000004971105	570386422	/nfs/dbraw/zinc/38/64/22/570386422.db2.gz	DTUHMUXFIJGITD-UYEBYYQHSA-N	0	2	387.273	3.639	50	10		GHCALN
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000004680109	570392560	/nfs/dbraw/zinc/39/25/60/570392560.db2.gz	XECZFUXVSQMNCW-COYFKBPASA-N	0	2	378.428	3.839	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1	ZINC000005603847	570668215	/nfs/dbraw/zinc/66/82/15/570668215.db2.gz	HFVYFGPSZUCIDK-XFXZXTDPSA-N	0	2	398.831	3.529	50	10		GHCALN
COc1ccc(N=CC2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c([N+](=O)[O-])c1	ZINC000100929772	570781022	/nfs/dbraw/zinc/78/10/22/570781022.db2.gz	UWLFBZWGUYYAER-BOPFTXTBSA-N	0	2	380.404	3.939	50	10		GHCALN
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Cl	ZINC000004682275	570829092	/nfs/dbraw/zinc/82/90/92/570829092.db2.gz	ATNCNVASFPJZIE-KMHUVPDISA-N	0	2	399.834	3.579	50	10		GHCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1	ZINC000005023970	220812631	/nfs/dbraw/zinc/81/26/31/220812631.db2.gz	PRCQQUJSDDYVGE-UYRXBGFRSA-N	0	2	378.428	3.875	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1	ZINC000013940021	221293280	/nfs/dbraw/zinc/29/32/80/221293280.db2.gz	GFUIKQHXBJHLSK-ATVHPVEESA-N	0	2	376.343	3.752	50	10		GHCALN
Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c(C)n1-c1ccccc1F	ZINC000065553086	222134120	/nfs/dbraw/zinc/13/41/20/222134120.db2.gz	ZRRYISAENZRATB-UHFFFAOYSA-N	0	2	392.390	3.829	50	10		GHCALN
CC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1ccc(Br)cn1	ZINC000100149019	570307919	/nfs/dbraw/zinc/30/79/19/570307919.db2.gz	NYSBNLWCLNJVPJ-NTEUORMPSA-N	0	2	375.201	3.702	50	10		GHCALN
O=C1C[C@H](c2ccco2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1	ZINC000096115436	222382912	/nfs/dbraw/zinc/38/29/12/222382912.db2.gz	OYYMXKIAVDZMDR-GFCCVEGCSA-N	0	2	390.347	3.905	50	10	biogenic	GHCALN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C1=O	ZINC000004674071	570819854	/nfs/dbraw/zinc/81/98/54/570819854.db2.gz	LVCLATWSRQAEOD-CYVLTUHYSA-N	0	2	389.455	3.652	50	10		GHCALN
CN1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1	ZINC000019359808	570979682	/nfs/dbraw/zinc/97/96/82/570979682.db2.gz	TYFNOINQPUWVQT-UHFFFAOYSA-N	0	2	384.863	3.566	50	10	biogenic	GHCALN
C[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1	ZINC000019359808	570979684	/nfs/dbraw/zinc/97/96/84/570979684.db2.gz	TYFNOINQPUWVQT-UHFFFAOYSA-N	0	2	384.863	3.566	50	10	biogenic	GHCALN
CCOc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000002993202	848635479	/nfs/dbraw/zinc/63/54/79/848635479.db2.gz	XFGORAOOZWWQKK-NTEUORMPSA-N	0	2	377.227	3.854	50	10		GHCALN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000001174670	136196237	/nfs/dbraw/zinc/19/62/37/136196237.db2.gz	DZWCAVIQLACTJD-MDWZMJQESA-N	0	2	391.210	3.668	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1C	ZINC000002216274	136196345	/nfs/dbraw/zinc/19/63/45/136196345.db2.gz	ONAFEDPJKXTTEF-XMHGGMMESA-N	0	2	385.423	3.761	50	10		GHCALN
Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000013774753	136201388	/nfs/dbraw/zinc/20/13/88/136201388.db2.gz	XTNJBRGCUWBAPR-YBEGLDIGSA-N	0	2	379.803	3.796	50	10		GHCALN
COc1ccc(N=CC2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c([N+](=O)[O-])c1	ZINC000100044307	570265412	/nfs/dbraw/zinc/26/54/12/570265412.db2.gz	UWLFBZWGUYYAER-GZTJUZNOSA-N	0	2	380.404	3.939	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)c1C	ZINC000004513297	570826245	/nfs/dbraw/zinc/82/62/45/570826245.db2.gz	MVIDNXXZGAWGFL-LGMDPLHJSA-N	0	2	393.443	3.553	50	10		GHCALN
COc1cc(OC)c(OC)cc1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000001192750	212226635	/nfs/dbraw/zinc/22/66/35/212226635.db2.gz	LLHHPEPZXVMQSR-OQLLNIDSSA-N	0	2	396.399	3.528	50	10		GHCALN
CCc1cccc(C)c1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O	ZINC000002402428	220529846	/nfs/dbraw/zinc/52/98/46/220529846.db2.gz	GYFFKNTWCHPHSX-ATVHPVEESA-N	0	2	377.444	3.753	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1	ZINC000013551991	221272638	/nfs/dbraw/zinc/27/26/38/221272638.db2.gz	LBJWOFLODUDDOT-AQTBWJFISA-N	0	2	391.814	3.797	50	10		GHCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1	ZINC000013571712	136201119	/nfs/dbraw/zinc/20/11/19/136201119.db2.gz	XKRCJJKKRRTTHX-ATVHPVEESA-N	0	2	376.343	3.752	50	10		GHCALN
Cc1nc(-c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3O)c2)oc1C	ZINC000328596089	452922340	/nfs/dbraw/zinc/92/23/40/452922340.db2.gz	RXRRJGYCOLABRF-UHFFFAOYSA-N	0	2	380.372	3.743	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000004983719	570421576	/nfs/dbraw/zinc/42/15/76/570421576.db2.gz	LRKLZUNILLTGKW-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000005603843	570668136	/nfs/dbraw/zinc/66/81/36/570668136.db2.gz	XQLJSYXJGKFYHY-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1O	ZINC000038179766	856001400	/nfs/dbraw/zinc/00/14/00/856001400.db2.gz	CEDSYPZJOAMCEL-XFXZXTDPSA-N	0	2	386.791	3.951	50	10		GHCALN
COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000001066969	212212036	/nfs/dbraw/zinc/21/20/36/212212036.db2.gz	MTYSLPMEMLAHCJ-QGOAFFKASA-N	0	2	386.407	3.823	50	10		GHCALN
COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C(C)C	ZINC000002968836	570523464	/nfs/dbraw/zinc/52/34/64/570523464.db2.gz	TWDGTZQVKSJPAI-WOJGMQOQSA-N	0	2	396.418	3.933	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000001164149	570759722	/nfs/dbraw/zinc/75/97/22/570759722.db2.gz	POVVSUYVJYKDHW-XNTDXEJSSA-N	0	2	395.371	3.673	50	10		GHCALN
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC	ZINC000017027421	570937414	/nfs/dbraw/zinc/93/74/14/570937414.db2.gz	LJWSQZLBPXRAKP-OQLLNIDSSA-N	0	2	396.399	3.528	50	10		GHCALN
COc1ccc(OC)c(-c2c3cc(O)c(O)cc3oc3cc(=O)c(O)cc2-3)c1	ZINC000004891842	842902113	/nfs/dbraw/zinc/90/21/13/842902113.db2.gz	BPHDPFDYLPFBTP-UHFFFAOYSA-N	0	2	380.352	3.699	50	10		GHCALN
COc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O	ZINC000008995107	856694363	/nfs/dbraw/zinc/69/43/63/856694363.db2.gz	VWFRDTYWSMYKIC-PTNGSMBKSA-N	0	2	375.384	3.694	50	10	biogenic	GHCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	ZINC000002222769	877546816	/nfs/dbraw/zinc/54/68/16/877546816.db2.gz	XKRCJJKKRRTTHX-SFQUDFHCSA-N	0	2	376.343	3.752	50	10		GHCALN
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000001186232	212226557	/nfs/dbraw/zinc/22/65/57/212226557.db2.gz	ZFKNCNVXZQVOLD-GZTJUZNOSA-N	0	2	394.333	3.891	50	10		GHCALN
FC(F)(F)c1cccc(NC(=S)NNc2nccc(C(F)(F)F)n2)c1	ZINC000001028181	212206857	/nfs/dbraw/zinc/20/68/57/212206857.db2.gz	VRDLLSPRAMEJJU-UHFFFAOYSA-N	0	2	381.305	3.828	50	10		GHCALN
COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000014010715	221295854	/nfs/dbraw/zinc/29/58/54/221295854.db2.gz	NDVDCAQGOMRTMP-UYRXBGFRSA-N	0	2	386.407	3.823	50	10		GHCALN
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000014011069	221296097	/nfs/dbraw/zinc/29/60/97/221296097.db2.gz	DWKJOMUITFWORA-MBXCTOFRSA-N	0	2	397.228	3.672	50	10		GHCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)Cc1ccccc1-2	ZINC000006229378	570344690	/nfs/dbraw/zinc/34/46/90/570344690.db2.gz	GHVNKFXAWRHKMP-BKUYFWCQSA-N	0	2	380.403	3.924	50	10		GHCALN
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)s1	ZINC000002760880	570512041	/nfs/dbraw/zinc/51/20/41/570512041.db2.gz	PZRRONOPWBQAOE-UHFFFAOYSA-N	0	2	381.460	3.889	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000004465188	570794293	/nfs/dbraw/zinc/79/42/93/570794293.db2.gz	QDDFYLVPAQGIBI-MLPAPPSSSA-N	0	2	384.775	3.884	50	10		GHCALN
Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1	ZINC000001211878	212230129	/nfs/dbraw/zinc/23/01/29/212230129.db2.gz	NQSFRABFSKRKNC-XNTDXEJSSA-N	0	2	399.244	3.732	50	10		GHCALN
COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)cc1	ZINC000020722992	570276418	/nfs/dbraw/zinc/27/64/18/570276418.db2.gz	JWRAFCAHRGEZFK-FQEVSTJZSA-N	0	2	399.878	3.778	50	10		GHCALN
CCc1cccc(CC)c1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000002990346	570323686	/nfs/dbraw/zinc/32/36/86/570323686.db2.gz	ROILGRAIUBVNLS-LGMDPLHJSA-N	0	2	377.444	3.699	50	10		GHCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1	ZINC000004704486	570395819	/nfs/dbraw/zinc/39/58/19/570395819.db2.gz	LKUKBMXNOKYYCJ-SDQBBNPISA-N	0	2	391.210	3.674	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1	ZINC000005548083	570630898	/nfs/dbraw/zinc/63/08/98/570630898.db2.gz	RRYMXVDNEVNWPH-UKTHLTGXSA-N	0	2	390.226	3.881	50	10		GHCALN
O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc2nonc21	ZINC000005677791	570801297	/nfs/dbraw/zinc/80/12/97/570801297.db2.gz	FBYIADKVBGZDGW-UHFFFAOYSA-N	0	2	377.731	3.696	50	10		GHCALN
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000005649281	887756057	/nfs/dbraw/zinc/75/60/57/887756057.db2.gz	LBNFBZKJINTBOD-RIYZIHGNSA-N	0	2	377.625	3.564	50	10		GHCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1	ZINC000008743693	221054098	/nfs/dbraw/zinc/05/40/98/221054098.db2.gz	OMMNPDSPLXLNKE-JXAWBTAJSA-N	0	2	393.443	3.703	50	10		GHCALN
CCn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000002605413	570292262	/nfs/dbraw/zinc/29/22/62/570292262.db2.gz	AVAPORBFZMBDCR-GZTJUZNOSA-N	0	2	377.375	3.671	50	10		GHCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl	ZINC000002892955	570317452	/nfs/dbraw/zinc/31/74/52/570317452.db2.gz	UZBHWDJTUJBKLH-XFXZXTDPSA-N	0	2	376.199	3.572	50	10		GHCALN
COc1ccc(N=CC2C(=O)N(c3ccc(C)cc3C)N=C2C)c([N+](=O)[O-])c1	ZINC000103883768	570890018	/nfs/dbraw/zinc/89/00/18/570890018.db2.gz	XYDHWHCYQKRAMV-WJDWOHSUSA-N	0	2	380.404	3.939	50	10		GHCALN
CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1O	ZINC000038165439	855978323	/nfs/dbraw/zinc/97/83/23/855978323.db2.gz	QFUPNLSFUXDCCI-GDNBJRDFSA-N	0	2	380.400	3.914	50	10		GHCALN
Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc(Br)cc1	ZINC000000792598	212181623	/nfs/dbraw/zinc/18/16/23/212181623.db2.gz	SDRUAHQSLKWFBJ-UHFFFAOYSA-N	0	2	384.280	3.563	50	10		GHCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000009058751	221069124	/nfs/dbraw/zinc/06/91/24/221069124.db2.gz	FPXCAUDIWGMIGL-WJDWOHSUSA-N	0	2	396.399	3.609	50	10		GHCALN
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC	ZINC000016973081	221374388	/nfs/dbraw/zinc/37/43/88/221374388.db2.gz	FUCHKFYISZXXFY-OQLLNIDSSA-N	0	2	396.399	3.528	50	10		GHCALN
O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1	ZINC000001172093	136196017	/nfs/dbraw/zinc/19/60/17/136196017.db2.gz	MBYPQVDTGQJKOE-RCCKNPSSSA-N	0	2	398.418	3.932	50	10		GHCALN
COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2cccc(Cl)c2)N=C1C	ZINC000100535672	570272858	/nfs/dbraw/zinc/27/28/58/570272858.db2.gz	YIOJYQDWEVBMMC-XNTDXEJSSA-N	0	2	386.795	3.975	50	10		GHCALN
COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1=O	ZINC000006166119	570279292	/nfs/dbraw/zinc/27/92/92/570279292.db2.gz	SLUMYRNDCAWEKH-FLIBITNWSA-N	0	2	391.210	3.668	50	10		GHCALN
CCCC[C@@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000002132696	570962004	/nfs/dbraw/zinc/96/20/04/570962004.db2.gz	BFMLXWKWRCWUGE-GOSISDBHSA-N	0	2	381.428	3.899	50	10	biogenic	GHCALN
CC[C@H](C)[C@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000004026504	212145664	/nfs/dbraw/zinc/14/56/64/212145664.db2.gz	DWLSLOKNTKMQTC-RBZFPXEDSA-N	0	2	381.428	3.755	50	10	biogenic	GHCALN
COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1	ZINC000008768252	221056567	/nfs/dbraw/zinc/05/65/67/221056567.db2.gz	REOWMUIREMRCOU-LDADJPATSA-N	0	2	394.427	3.698	50	10		GHCALN
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000005034466	570402302	/nfs/dbraw/zinc/40/23/02/570402302.db2.gz	RVSGHJRMKCMCIP-KWPCUBQOSA-N	0	2	391.471	3.933	50	10		GHCALN
CC[C@@H](C)[C@@H]([NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-]	ZINC000004026505	212146041	/nfs/dbraw/zinc/14/60/41/212146041.db2.gz	DWLSLOKNTKMQTC-ZUOKHONESA-N	0	2	381.428	3.755	50	10	biogenic	GHCALN
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C	ZINC000013810248	221290530	/nfs/dbraw/zinc/29/05/30/221290530.db2.gz	GMJSEXYFGNBLAV-WQLSENKSSA-N	0	2	392.242	3.820	50	10		GHCALN
O=c1c(-c2nc3ccccc3s2)coc2c1ccc([O-])c2C[NH+]1CCOCC1	ZINC000019904544	570228757	/nfs/dbraw/zinc/22/87/57/570228757.db2.gz	PAYYMNNDABOJJL-UHFFFAOYSA-N	0	2	394.452	3.608	50	10		GHCALN
COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)cc1	ZINC000020722989	570276403	/nfs/dbraw/zinc/27/64/03/570276403.db2.gz	JWRAFCAHRGEZFK-HXUWFJFHSA-N	0	2	399.878	3.778	50	10		GHCALN
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1	ZINC000014372449	570309346	/nfs/dbraw/zinc/30/93/46/570309346.db2.gz	KDGUEGUIAJJRBW-UHFFFAOYSA-N	0	2	392.484	3.664	50	10		GHCALN
COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	ZINC000033342696	570991734	/nfs/dbraw/zinc/99/17/34/570991734.db2.gz	AHXCATBYGKOQHP-YVLHZVERSA-N	0	2	380.400	3.827	50	10		GHCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1C	ZINC000004704525	570395780	/nfs/dbraw/zinc/39/57/80/570395780.db2.gz	ONAFEDPJKXTTEF-RGEXLXHISA-N	0	2	385.423	3.761	50	10		GHCALN
CCn1cc(C=C2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21	ZINC000005100379	570416640	/nfs/dbraw/zinc/41/66/40/570416640.db2.gz	QVDOMVHKIGHKQI-WOJGMQOQSA-N	0	2	389.411	3.541	50	10		GHCALN
CCCCc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000206166208	849745871	/nfs/dbraw/zinc/74/58/71/849745871.db2.gz	SFOHVNOYPYRRLD-IBGZPJMESA-N	0	2	395.455	3.627	50	10		GHCALN
CCCC(=O)N[C@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000027571746	855204640	/nfs/dbraw/zinc/20/46/40/855204640.db2.gz	BCQOYHYBKLVVQH-LJQANCHMSA-N	0	2	395.415	3.863	50	10		GHCALN
O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1O	ZINC000036055738	570667494	/nfs/dbraw/zinc/66/74/94/570667494.db2.gz	BYZUFJDZLGEQJG-AWEZNQCLSA-N	0	2	383.385	3.946	50	10		GHCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	ZINC000019789169	919597112	/nfs/dbraw/zinc/59/71/12/919597112.db2.gz	RFFXJAQRQNYWNQ-YBEGLDIGSA-N	0	2	384.819	3.835	50	10		GHCALN
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000001192836	212226765	/nfs/dbraw/zinc/22/67/65/212226765.db2.gz	PPPONBRDOOYHDH-XMHGGMMESA-N	0	2	377.444	3.508	50	10		GHCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Cl	ZINC000014011133	221295521	/nfs/dbraw/zinc/29/55/21/221295521.db2.gz	KLIVBTOWEXVMDK-ZROIWOOFSA-N	0	2	384.819	3.632	50	10		GHCALN
Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	ZINC000004703317	570395433	/nfs/dbraw/zinc/39/54/33/570395433.db2.gz	NQTJPXHZUOPMMW-XNTDXEJSSA-N	0	2	399.244	3.732	50	10		GHCALN