smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-]c2ccccc2c1/N=N/N1CCC(C(=O)OCC)CC1	ZINC000002249348	204030491	/nfs/dbraw/zinc/03/04/91/204030491.db2.gz	GSOUDFANSBIQJW-QURGRASLSA-N	-1	3	372.425	3.618	50	10		FHCAHM
O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2[O-])N1C[C@@H]1CCCO1	ZINC000012556212	204474637	/nfs/dbraw/zinc/47/46/37/204474637.db2.gz	SKESJRGYEBDICY-UGSOOPFHSA-N	-1	3	358.825	3.791	50	10		FHCAHM
COc1cccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c1	ZINC000225518156	571042386	/nfs/dbraw/zinc/04/23/86/571042386.db2.gz	NHVJPBGJWKJRII-SFHVURJKSA-N	-1	3	362.385	3.985	50	10		FHCAHM
CCCN(CC(=O)Nc1ccccc1C)Cc1cc(F)cc(C(C)=O)c1[O-]	ZINC000072312049	571079759	/nfs/dbraw/zinc/07/97/59/571079759.db2.gz	BAQPQUNQGVQIKD-UHFFFAOYSA-N	-1	3	372.440	3.893	50	10		FHCAHM
CSc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1cc(F)ccc1[O-])N2	ZINC000000638094	571166224	/nfs/dbraw/zinc/16/62/24/571166224.db2.gz	IGEMSHSUQJORDT-GJZGRUSLSA-N	-1	3	356.426	3.991	50	10		FHCAHM
COc1ccc([O-])c([C@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)c1	ZINC000095376602	571329170	/nfs/dbraw/zinc/32/91/70/571329170.db2.gz	RVFKIDVMZOOXRS-QHCPKHFHSA-N	-1	3	374.440	3.698	50	10		FHCAHM
Cc1ccccc1OC(=O)c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000004891440	204173679	/nfs/dbraw/zinc/17/36/79/204173679.db2.gz	YVUHEILKZUSVJT-UHFFFAOYSA-N	-1	3	358.349	3.695	50	10	biogenic	FHCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cc[n+]([O-])cc1	ZINC000010910700	206283256	/nfs/dbraw/zinc/28/32/56/206283256.db2.gz	CWICKZBEYLETRB-QFIPXVFZSA-N	-1	3	370.408	3.698	50	10		FHCAHM
Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1C=Nc1ccc(Cl)cc1	ZINC000100182501	570500920	/nfs/dbraw/zinc/50/09/20/570500920.db2.gz	VSADGXGFTCNING-GXDHUFHOSA-N	-1	3	351.797	3.935	50	10		FHCAHM
CC1=NN(c2nc3ccccc3[n-]2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000100182501	570500922	/nfs/dbraw/zinc/50/09/22/570500922.db2.gz	VSADGXGFTCNING-GXDHUFHOSA-N	-1	3	351.797	3.935	50	10		FHCAHM
CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1[O-]	ZINC000002484229	204041704	/nfs/dbraw/zinc/04/17/04/204041704.db2.gz	ZMPRXGIKEBLOJN-IBGZPJMESA-N	-1	3	363.461	3.868	50	10	biogenic	FHCAHM
O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccccc1[O-]	ZINC000003902707	204113758	/nfs/dbraw/zinc/11/37/58/204113758.db2.gz	QHPWVSMQNYFASY-UHFFFAOYSA-N	-1	3	361.376	3.652	50	10		FHCAHM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(N)c([N+](=O)[O-])c1	ZINC000005277158	204201564	/nfs/dbraw/zinc/20/15/64/204201564.db2.gz	LRGLHQIFAJXMDV-XNTDXEJSSA-N	-1	3	365.393	3.512	50	10		FHCAHM
CCOc1ccc(NC=C2C(=O)N(c3nc4ccccc4[n-]3)N=C2C)cc1	ZINC000101623767	570512787	/nfs/dbraw/zinc/51/27/87/570512787.db2.gz	VLWAIMXLXAEEAE-VBKFSLOCSA-N	-1	3	361.405	3.680	50	10		FHCAHM
COc1ccc2ccc([O-])c(CN(C)c3ccc(S(C)(=O)=O)cc3)c2c1	ZINC000083862015	571054557	/nfs/dbraw/zinc/05/45/57/571054557.db2.gz	RARUMEDAZCAWEL-UHFFFAOYSA-N	-1	3	371.458	3.594	50	10		FHCAHM
CCCn1ccnc1[C@H]1c2[nH]cnc2CCN1Cc1cc(Cl)ccc1[O-]	ZINC000072421675	571193330	/nfs/dbraw/zinc/19/33/30/571193330.db2.gz	CIWMYAIXNSEXPO-GOSISDBHSA-N	-1	3	371.872	3.523	50	10		FHCAHM
CCCn1ccnc1[C@@H]1c2[nH]cnc2CCN1Cc1cc(Cl)ccc1[O-]	ZINC000072421674	571193342	/nfs/dbraw/zinc/19/33/42/571193342.db2.gz	CIWMYAIXNSEXPO-SFHVURJKSA-N	-1	3	371.872	3.523	50	10		FHCAHM
O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1[O-]	ZINC000001489679	204009417	/nfs/dbraw/zinc/00/94/17/204009417.db2.gz	QKOWACXSXTXRKA-UHFFFAOYSA-N	-1	3	370.714	3.929	50	10	in-vitro	FHCAHM
CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)ccc2[O-])N3)C1	ZINC000004556310	204146665	/nfs/dbraw/zinc/14/66/65/204146665.db2.gz	UVZRJNYJZNOXHY-OAHLLOKOSA-N	-1	3	363.870	3.914	50	10		FHCAHM
Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2O)c(C)n1-c1ccccc1	ZINC000006534612	204252809	/nfs/dbraw/zinc/25/28/09/204252809.db2.gz	ONNFEVWJETXCCK-UHFFFAOYSA-N	-1	3	365.385	3.545	50	10		FHCAHM
CCOC(=O)c1ccccc1NCc1cc(Br)ccc1[O-]	ZINC000044836170	205111299	/nfs/dbraw/zinc/11/12/99/205111299.db2.gz	KFZFVRCBGXIWOM-UHFFFAOYSA-N	-1	3	350.212	3.944	50	10		FHCAHM
COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1[O-]	ZINC000000826808	570459079	/nfs/dbraw/zinc/45/90/79/570459079.db2.gz	GOXBBIMCZQLBKU-YBEGLDIGSA-N	-1	3	355.415	3.779	50	10		FHCAHM
O=C([N-]N1C(=O)/C(=C\c2ccccc2)SC1=S)c1ccccc1Cl	ZINC000001227962	570495393	/nfs/dbraw/zinc/49/53/93/570495393.db2.gz	WTFITOCUXDTJGD-GXDHUFHOSA-N	-1	3	374.874	3.886	50	10		FHCAHM
[O-]c1ccc(-c2cnccn2)cc1CN1CCc2c3ccccc3[nH]c2C1	ZINC000012080225	570717231	/nfs/dbraw/zinc/71/72/31/570717231.db2.gz	WBJDTZGCGIQVSN-UHFFFAOYSA-N	-1	3	356.429	3.889	50	10		FHCAHM
O=c1oc2c(cc(Cl)c([O-])c2CNCc2ccncc2)c2c1CCCC2	ZINC000020567731	570919862	/nfs/dbraw/zinc/91/98/62/570919862.db2.gz	VYVRRKRZFHDNRM-UHFFFAOYSA-N	-1	3	370.836	3.716	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@@H+]2CCC[C@@H](C)C2)c1[O-]	ZINC000023135341	571217956	/nfs/dbraw/zinc/21/79/56/571217956.db2.gz	WULWKGHWNHILFD-OAHLLOKOSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@H+]2CCC[C@@H](C)C2)c1[O-]	ZINC000023135341	571217959	/nfs/dbraw/zinc/21/79/59/571217959.db2.gz	WULWKGHWNHILFD-OAHLLOKOSA-N	-1	3	369.461	3.764	50	10		FHCAHM
O=C(CN1CCCCC1)N1N=C(c2ccccc2[O-])C[C@@H]1c1cccs1	ZINC000170612666	571267862	/nfs/dbraw/zinc/26/78/62/571267862.db2.gz	BMQXYFXKMKZNNK-QGZVFWFLSA-N	-1	3	369.490	3.617	50	10		FHCAHM
CCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1[O-]	ZINC000003894217	204113164	/nfs/dbraw/zinc/11/31/64/204113164.db2.gz	SWDCNWUXTXPNMJ-GOSISDBHSA-N	-1	3	365.389	3.854	50	10		FHCAHM
CCCC[C@H]1C[C@@H]1C(=O)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000005003819	206186246	/nfs/dbraw/zinc/18/62/46/206186246.db2.gz	ZYBYCZKZDFBDHL-WFASDCNBSA-N	-1	3	364.397	3.899	50	10		FHCAHM
CCc1cc2c(C)cc(=O)oc2c(CN(C)CCOc2ccccc2)c1[O-]	ZINC000012747785	206295533	/nfs/dbraw/zinc/29/55/33/206295533.db2.gz	JLUROAWJOIWCSJ-UHFFFAOYSA-N	-1	3	367.445	3.880	50	10		FHCAHM
C[NH+](C)Cc1c([O-])ccc(C(=O)COc2ccc(Cl)cc2Cl)c1[O-]	ZINC000019912014	521885780	/nfs/dbraw/zinc/88/57/80/521885780.db2.gz	CLUIFQQTUDYEIT-UHFFFAOYSA-N	-1	3	370.232	3.728	50	10		FHCAHM
O=c1nc2n(nc1-c1ccccc1)[C@@H](c1ccccc1[O-])Nc1ccccc1-2	ZINC000101892603	570825257	/nfs/dbraw/zinc/82/52/57/570825257.db2.gz	HPBMVWJKPUCCSV-NRFANRHFSA-N	-1	3	368.396	3.650	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@@H+]2CCC[C@H](C)C2)c1[O-]	ZINC000023135343	571218049	/nfs/dbraw/zinc/21/80/49/571218049.db2.gz	WULWKGHWNHILFD-HNNXBMFYSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@H+]2CCC[C@H](C)C2)c1[O-]	ZINC000023135343	571218051	/nfs/dbraw/zinc/21/80/51/571218051.db2.gz	WULWKGHWNHILFD-HNNXBMFYSA-N	-1	3	369.461	3.764	50	10		FHCAHM
CCN(CC)c1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000003173569	204081352	/nfs/dbraw/zinc/08/13/52/204081352.db2.gz	ZZCHJMAPYLQKJP-VQTJNVASSA-N	-1	3	363.461	3.702	50	10		FHCAHM
[O-]c1ccc(-c2ccccn2)cc1CN1CCN(c2ccccc2F)CC1	ZINC000299765769	132298435	/nfs/dbraw/zinc/29/84/35/132298435.db2.gz	CVZSUJDIVHAHIN-UHFFFAOYSA-N	-1	3	363.436	3.916	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(Br)cc1	ZINC000001273623	570496796	/nfs/dbraw/zinc/49/67/96/570496796.db2.gz	WKODMFSPVUOZAR-INIZCTEOSA-N	-1	3	359.223	3.852	50	10		FHCAHM
Cn1cc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cn1	ZINC000010913338	570965009	/nfs/dbraw/zinc/96/50/09/570965009.db2.gz	HGBHMXNXNAQAEG-OAQYLSRUSA-N	-1	3	357.413	3.798	50	10		FHCAHM
COc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCCC4)c23)cc1	ZINC000001075153	571145572	/nfs/dbraw/zinc/14/55/72/571145572.db2.gz	JZVAMPSVLXLRKR-UHFFFAOYSA-N	-1	3	351.402	3.974	50	10	biogenic	FHCAHM
COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(OC)c1[O-]	ZINC000007165862	204290920	/nfs/dbraw/zinc/29/09/20/204290920.db2.gz	LBWZCCKZARYYDG-YBEGLDIGSA-N	-1	3	370.430	3.800	50	10		FHCAHM
[O-]c1ccc(Br)cc1CN1CCN(c2ccc(F)cc2)CC1	ZINC000055292184	132303358	/nfs/dbraw/zinc/30/33/58/132303358.db2.gz	WLKSSXNNYOOPSY-UHFFFAOYSA-N	-1	3	365.246	3.616	50	10		FHCAHM
Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000000819088	568296927	/nfs/dbraw/zinc/29/69/27/568296927.db2.gz	LROUNQRXRJJNEW-UHFFFAOYSA-N	-1	3	358.785	3.966	50	10		FHCAHM
CCOc1ncccc1CN[C@H](C)c1cc(Br)ccc1[O-]	ZINC000095469448	571330646	/nfs/dbraw/zinc/33/06/46/571330646.db2.gz	ZPQGXDBUKSWGBG-LLVKDONJSA-N	-1	3	351.244	3.799	50	10		FHCAHM
O=C(Cc1ccccc1)N[C@@H](c1ccco1)c1ccc2cccnc2c1[O-]	ZINC000003894221	204112874	/nfs/dbraw/zinc/11/28/74/204112874.db2.gz	HNPYDBOZQIKEOR-OAQYLSRUSA-N	-1	3	358.397	3.982	50	10		FHCAHM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCC2)c1=O	ZINC000005425771	204208071	/nfs/dbraw/zinc/20/80/71/204208071.db2.gz	XHNRWXSEDSVREU-UHFFFAOYSA-N	-1	3	351.402	3.770	50	10		FHCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cc[n+]([O-])cc1	ZINC000010910701	206282945	/nfs/dbraw/zinc/28/29/45/206282945.db2.gz	CWICKZBEYLETRB-JOCHJYFZSA-N	-1	3	370.408	3.698	50	10		FHCAHM
COc1cc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1[O-]	ZINC000033341351	568497763	/nfs/dbraw/zinc/49/77/63/568497763.db2.gz	GOXBBIMCZQLBKU-MHWRWJLKSA-N	-1	3	355.415	3.779	50	10		FHCAHM
[O-]c1ccc(Br)cc1CNc1ccc(Br)cn1	ZINC000018324853	570837722	/nfs/dbraw/zinc/83/77/22/570837722.db2.gz	MVGJCGYJIVMQRP-UHFFFAOYSA-N	-1	3	358.033	3.924	50	10		FHCAHM
O=c1oc2c(cc(Cl)c([O-])c2CNCc2cccnc2)c2c1CCCC2	ZINC000020573520	570920485	/nfs/dbraw/zinc/92/04/85/570920485.db2.gz	VJUFTNLCQIAKEI-UHFFFAOYSA-N	-1	3	370.836	3.716	50	10		FHCAHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2F)S1	ZINC000001137327	219378162	/nfs/dbraw/zinc/37/81/62/219378162.db2.gz	SRXOYZWOJDWGFR-YVLHZVERSA-N	-1	3	370.405	3.511	50	10		FHCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cnccn1	ZINC000010910059	207306567	/nfs/dbraw/zinc/30/65/67/207306567.db2.gz	LOACHLHAHRQCCP-OAQYLSRUSA-N	-1	3	355.397	3.855	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1cn(-c2ccccc2)nc1C	ZINC000012420718	207374435	/nfs/dbraw/zinc/37/44/35/207374435.db2.gz	FRQVYFCDEVBUPJ-HXUWFJFHSA-N	-1	3	360.417	3.584	50	10		FHCAHM
CN(C)c1ccc(CN(C)Cn2nc(-c3cccs3)[n-]c2=S)cc1	ZINC000012561304	207393889	/nfs/dbraw/zinc/39/38/89/207393889.db2.gz	IPPZZOOBKAMZAQ-UHFFFAOYSA-N	-1	3	359.524	3.825	50	10		FHCAHM
CSc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1cc(F)ccc1[O-])N2	ZINC000000638093	570441829	/nfs/dbraw/zinc/44/18/29/570441829.db2.gz	IGEMSHSUQJORDT-HUUCEWRRSA-N	-1	3	356.426	3.991	50	10		FHCAHM
O=c1nc2n(nc1-c1ccccc1)[C@H](c1ccccc1[O-])Nc1ccccc1-2	ZINC000101892600	570825285	/nfs/dbraw/zinc/82/52/85/570825285.db2.gz	HPBMVWJKPUCCSV-OAQYLSRUSA-N	-1	3	368.396	3.650	50	10		FHCAHM
CCN1CCN([C@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1	ZINC000021486900	570930919	/nfs/dbraw/zinc/93/09/19/570930919.db2.gz	VIYYFLSFUIKSSY-IBGZPJMESA-N	-1	3	353.491	3.729	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1[O-]	ZINC000079112402	571327086	/nfs/dbraw/zinc/32/70/86/571327086.db2.gz	WNVBMGMCMUBRGL-INIZCTEOSA-N	-1	3	359.223	3.852	50	10		FHCAHM
CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)ccc2[O-])N3)C1	ZINC000004556309	207027670	/nfs/dbraw/zinc/02/76/70/207027670.db2.gz	UVZRJNYJZNOXHY-HNNXBMFYSA-N	-1	3	363.870	3.914	50	10		FHCAHM
Cc1cc([O-])ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	ZINC000095976470	209093600	/nfs/dbraw/zinc/09/36/00/209093600.db2.gz	OOLRNZDCSGCWOB-HXUWFJFHSA-N	-1	3	368.477	3.588	50	10		FHCAHM
[O-]c1c(CN2CCN(c3ccccc3)CC2)cc(Cl)c2cccnc12	ZINC000054114333	136125100	/nfs/dbraw/zinc/12/51/00/136125100.db2.gz	GNYKRFMRORNYNK-UHFFFAOYSA-N	-1	3	353.853	3.916	50	10		FHCAHM
C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1	ZINC000000819229	568296984	/nfs/dbraw/zinc/29/69/84/568296984.db2.gz	NPWDEKUFROWYDW-AWEZNQCLSA-N	-1	3	350.890	3.516	50	10		FHCAHM
CCOC(=O)c1ccc(NCc2cc(Br)ccc2[O-])cc1	ZINC000000847307	570460431	/nfs/dbraw/zinc/46/04/31/570460431.db2.gz	SWEOKIGHFFOGLZ-UHFFFAOYSA-N	-1	3	350.212	3.944	50	10		FHCAHM
Cc1oc2ccc([O-])c(CN3CCOCC3)c2c1C(=O)Nc1ccccc1	ZINC000019793998	570903323	/nfs/dbraw/zinc/90/33/23/570903323.db2.gz	YMIRMNQHCUULSM-UHFFFAOYSA-N	-1	3	366.417	3.531	50	10		FHCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cccc[n+]1[O-]	ZINC000048360836	570950653	/nfs/dbraw/zinc/95/06/53/570950653.db2.gz	VDOKUNXKGLZHHH-JOCHJYFZSA-N	-1	3	370.408	3.698	50	10		FHCAHM
CCOC(=O)c1c(C)oc2c1c(CN1CCOCC1)c([O-])c1ccccc21	ZINC000023224596	570959742	/nfs/dbraw/zinc/95/97/42/570959742.db2.gz	XCECIVJQILBDAT-UHFFFAOYSA-N	-1	3	369.417	3.609	50	10		FHCAHM
CCCC[C@@H]1C[C@@H]1C(=O)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000005003818	571072809	/nfs/dbraw/zinc/07/28/09/571072809.db2.gz	ZYBYCZKZDFBDHL-DOMZBBRYSA-N	-1	3	364.397	3.899	50	10		FHCAHM
CN(C)Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21	ZINC000000870800	571107897	/nfs/dbraw/zinc/10/78/97/571107897.db2.gz	PLLCAMNQDAHMSF-UHFFFAOYSA-N	-1	3	352.415	3.837	50	10		FHCAHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccc[nH]c1=S	ZINC000120986867	571191725	/nfs/dbraw/zinc/19/17/25/571191725.db2.gz	KQVQQTKMENLUJD-UHFFFAOYSA-N	-1	3	367.268	3.501	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2[O-])cc1	ZINC000023135324	571218129	/nfs/dbraw/zinc/21/81/29/571218129.db2.gz	YJLKVMWNBKNLPH-HNNXBMFYSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2[O-])cc1	ZINC000023135324	571218130	/nfs/dbraw/zinc/21/81/30/571218130.db2.gz	YJLKVMWNBKNLPH-HNNXBMFYSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccccc1[C@@H]1CC(c2ccccc2[O-])=NN1C(=O)c1ccco1	ZINC000170620250	571268780	/nfs/dbraw/zinc/26/87/80/571268780.db2.gz	OKNDJBIUURKKIZ-KRWDZBQOSA-N	-1	3	362.385	3.985	50	10		FHCAHM
O=C(CCc1cccc(F)c1F)NCc1cc(Br)ccc1[O-]	ZINC000253417754	571312623	/nfs/dbraw/zinc/31/26/23/571312623.db2.gz	FTXBJPZMXBGLQS-UHFFFAOYSA-N	-1	3	370.193	3.682	50	10		FHCAHM
CC1=NN(c2nc3ccccc3[n-]2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000012406699	207372535	/nfs/dbraw/zinc/37/25/35/207372535.db2.gz	VSADGXGFTCNING-UVTDQMKNSA-N	-1	3	351.797	3.935	50	10		FHCAHM
Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1C=Nc1ccc(Cl)cc1	ZINC000012406699	207372530	/nfs/dbraw/zinc/37/25/30/207372530.db2.gz	VSADGXGFTCNING-UVTDQMKNSA-N	-1	3	351.797	3.935	50	10		FHCAHM
CC(=O)N[C@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869255	571069311	/nfs/dbraw/zinc/06/93/11/571069311.db2.gz	RWZYBQBQFVZGAD-GOSISDBHSA-N	-1	3	369.852	3.885	50	10		FHCAHM
O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2cc(O)c([O-])cc2o1	ZINC000002125029	571278726	/nfs/dbraw/zinc/27/87/26/571278726.db2.gz	HIIYTYBSUDUYLJ-UHFFFAOYSA-N	-1	3	365.429	3.659	50	10		FHCAHM
O=C([N-]c1c(Cl)ccc2c1C(=O)c1ccccc1C2=O)c1ccco1	ZINC000005200562	207085663	/nfs/dbraw/zinc/08/56/63/207085663.db2.gz	FKMVLFMXXCARKB-UHFFFAOYSA-N	-1	3	351.745	3.961	50	10		FHCAHM
O=c1oc2c(ccc([O-])c2CNCc2cccc(Cl)c2)c2c1CCC2	ZINC000006756206	207162025	/nfs/dbraw/zinc/16/20/25/207162025.db2.gz	USZLHDLKJLYBMH-UHFFFAOYSA-N	-1	3	355.821	3.931	50	10		FHCAHM
[O-]c1ccc(Br)cc1CN1CCN(c2ccccc2F)CC1	ZINC000055065478	132303498	/nfs/dbraw/zinc/30/34/98/132303498.db2.gz	QMYRVALMMQKCPL-UHFFFAOYSA-N	-1	3	365.246	3.616	50	10		FHCAHM
CCN1CCN([C@@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1	ZINC000021486899	570930833	/nfs/dbraw/zinc/93/08/33/570930833.db2.gz	VIYYFLSFUIKSSY-LJQANCHMSA-N	-1	3	353.491	3.729	50	10		FHCAHM
COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Cl)c1[O-])NCC2	ZINC000022204761	570940997	/nfs/dbraw/zinc/94/09/97/570940997.db2.gz	LKKRQAIVTCEJMN-INIZCTEOSA-N	-1	3	354.233	3.951	50	10		FHCAHM
CSc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1cc(F)ccc1[O-])N2	ZINC000000638096	571166213	/nfs/dbraw/zinc/16/62/13/571166213.db2.gz	IGEMSHSUQJORDT-CABCVRRESA-N	-1	3	356.426	3.991	50	10		FHCAHM
COc1ccc(/C=C2\SC(=S)N(c3ccccc3[O-])C2=O)cc1OC	ZINC000016917200	571273725	/nfs/dbraw/zinc/27/37/25/571273725.db2.gz	SKFOZGFKHLHSPX-YBEGLDIGSA-N	-1	3	373.455	3.815	50	10		FHCAHM
COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(CN(C)C)c3oc2=O)c1	ZINC000004084984	571354952	/nfs/dbraw/zinc/35/49/52/571354952.db2.gz	ZMBLLHUNANYGNR-UHFFFAOYSA-N	-1	3	369.417	3.553	50	10	biogenic	FHCAHM
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1[O-]	ZINC000001112158	219371289	/nfs/dbraw/zinc/37/12/89/219371289.db2.gz	BOYDPHFTSCSJLS-SDQBBNPISA-N	-1	3	357.884	3.911	50	10		FHCAHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)S1	ZINC000009434549	207271322	/nfs/dbraw/zinc/27/13/22/207271322.db2.gz	ZZFGLLCNUCCLFZ-WQRHYEAKSA-N	-1	3	366.442	3.680	50	10		FHCAHM
COc1cc(NCc2cc(Br)ccc2[O-])cc(OC)c1OC	ZINC000040477094	208255626	/nfs/dbraw/zinc/25/56/26/208255626.db2.gz	LRKWUDZGWNWPBT-UHFFFAOYSA-N	-1	3	368.227	3.793	50	10		FHCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(Br)c2)cc1	ZINC000000947546	209384637	/nfs/dbraw/zinc/38/46/37/209384637.db2.gz	XGSWLLJWMZYEFD-UHFFFAOYSA-N	-1	3	356.241	3.572	50	10		FHCAHM
COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c([O-])c1	ZINC000010961890	570985904	/nfs/dbraw/zinc/98/59/04/570985904.db2.gz	XYRSGWXSACEJED-UHFFFAOYSA-N	-1	3	354.450	3.663	50	10		FHCAHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S1	ZINC000001157382	219383011	/nfs/dbraw/zinc/38/30/11/219383011.db2.gz	GIBGVHOYXBAYPK-WQRHYEAKSA-N	-1	3	366.442	3.680	50	10		FHCAHM
COc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1	ZINC000037867416	208190919	/nfs/dbraw/zinc/19/09/19/208190919.db2.gz	RVEFWDFDCPPOIN-GOSISDBHSA-N	-1	3	350.418	3.811	50	10		FHCAHM
COc1ccc([O-])c([C@@H]2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)c1	ZINC000095376601	209036761	/nfs/dbraw/zinc/03/67/61/209036761.db2.gz	RVFKIDVMZOOXRS-HSZRJFAPSA-N	-1	3	374.440	3.698	50	10		FHCAHM
COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(C)=O)cc1OC	ZINC000001121538	570482187	/nfs/dbraw/zinc/48/21/87/570482187.db2.gz	CBYBEJXTZIFQBY-INIZCTEOSA-N	-1	3	374.824	3.760	50	10		FHCAHM
COc1ccc([C@@H](NC(C)=O)c2c([O-])ccc3ccccc32)cc1OC	ZINC000001197080	570491663	/nfs/dbraw/zinc/49/16/63/570491663.db2.gz	IIDLZHSTJAXEIU-OAQYLSRUSA-N	-1	3	351.402	3.788	50	10		FHCAHM
COc1cc2c(cc1OC)[C@H](c1cc(Cl)cc(Cl)c1[O-])NCC2	ZINC000022204758	570940938	/nfs/dbraw/zinc/94/09/38/570940938.db2.gz	LKKRQAIVTCEJMN-MRXNPFEDSA-N	-1	3	354.233	3.951	50	10		FHCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cccc[n+]1[O-]	ZINC000048360833	570950568	/nfs/dbraw/zinc/95/05/68/570950568.db2.gz	VDOKUNXKGLZHHH-QFIPXVFZSA-N	-1	3	370.408	3.698	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3CCC(C)CC3)c2[O-])cc1	ZINC000023135349	571218018	/nfs/dbraw/zinc/21/80/18/571218018.db2.gz	TZQWPQCQFTYZJT-UHFFFAOYSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2[O-])cc1	ZINC000023135326	571218083	/nfs/dbraw/zinc/21/80/83/571218083.db2.gz	YJLKVMWNBKNLPH-OAHLLOKOSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2[O-])cc1	ZINC000023135326	571218087	/nfs/dbraw/zinc/21/80/87/571218087.db2.gz	YJLKVMWNBKNLPH-OAHLLOKOSA-N	-1	3	369.461	3.906	50	10		FHCAHM
C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(Cl)ccc3[O-])CC2)C1	ZINC000004435028	207020215	/nfs/dbraw/zinc/02/02/15/207020215.db2.gz	NPWDEKUFROWYDW-CQSZACIVSA-N	-1	3	350.890	3.516	50	10		FHCAHM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC3)c2=O)cc1	ZINC000020412536	571329337	/nfs/dbraw/zinc/32/93/37/571329337.db2.gz	UHEGDGAKBITWGO-UHFFFAOYSA-N	-1	3	351.402	3.770	50	10		FHCAHM
CCN(CC)c1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000003173572	571345184	/nfs/dbraw/zinc/34/51/84/571345184.db2.gz	ZZCHJMAPYLQKJP-UXHICEINSA-N	-1	3	363.461	3.702	50	10		FHCAHM
CC1CCN(C(=O)C2CCN(Cc3cc(Cl)ccc3[O-])CC2)CC1	ZINC000000819231	206834608	/nfs/dbraw/zinc/83/46/08/206834608.db2.gz	XYIOBKRLMFIEOX-UHFFFAOYSA-N	-1	3	350.890	3.516	50	10		FHCAHM
Cc1cc([O-])ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	ZINC000095976469	209093555	/nfs/dbraw/zinc/09/35/55/209093555.db2.gz	OOLRNZDCSGCWOB-FQEVSTJZSA-N	-1	3	368.477	3.588	50	10		FHCAHM
COc1ccccc1[C@H](NC(C)=O)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869258	570461884	/nfs/dbraw/zinc/46/18/84/570461884.db2.gz	VBZSJOLGJVSKSW-KRWDZBQOSA-N	-1	3	356.809	3.828	50	10		FHCAHM
COc1ccc([C@H](NC(C)=O)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000000869260	570462089	/nfs/dbraw/zinc/46/20/89/570462089.db2.gz	MTDGALZWYHDFPI-KRWDZBQOSA-N	-1	3	356.809	3.828	50	10		FHCAHM
CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1[O-]	ZINC000001197088	210333529	/nfs/dbraw/zinc/33/35/29/210333529.db2.gz	QNPSQPFPEUYCEM-LJQANCHMSA-N	-1	3	366.417	3.573	50	10	biogenic	FHCAHM
CC(=C\c1cc(Br)ccc1[O-])/C=C1/SC(=S)N(C)C1=O	ZINC000004918128	570614049	/nfs/dbraw/zinc/61/40/49/570614049.db2.gz	VPMRXTATLAISFG-TUXZCDOTSA-N	-1	3	370.293	3.932	50	10		FHCAHM
CCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1[O-]	ZINC000003894216	571292858	/nfs/dbraw/zinc/29/28/58/571292858.db2.gz	SWDCNWUXTXPNMJ-SFHVURJKSA-N	-1	3	365.389	3.854	50	10		FHCAHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(C3CCCCC3)=NN21	ZINC000004121993	571355795	/nfs/dbraw/zinc/35/57/95/571355795.db2.gz	TUBRXPMNSUOQQE-WOSMYTDYSA-N	-1	3	354.435	3.592	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[NH+]2CCCCC2)c1[O-]	ZINC000023135309	210235162	/nfs/dbraw/zinc/23/51/62/210235162.db2.gz	NFYMPILOJNGGQF-UHFFFAOYSA-N	-1	3	355.434	3.518	50	10		FHCAHM
O=C1[C@@H]2C[C@@H](CN2Cc2c([O-])ccc3ccccc32)N1c1ccccc1F	ZINC000020110052	211267785	/nfs/dbraw/zinc/26/77/85/211267785.db2.gz	SPZKYJGKTAZAEH-YWZLYKJASA-N	-1	3	362.404	3.674	50	10		FHCAHM
CC(=O)N[C@H](c1ccc(Br)cc1)c1ccc2cccnc2c1[O-]	ZINC000001218938	210336861	/nfs/dbraw/zinc/33/68/61/210336861.db2.gz	DXYUFSXQDXVFAO-MRXNPFEDSA-N	-1	3	371.234	3.928	50	10		FHCAHM
COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(C)=O)cc1OC	ZINC000001121537	210319615	/nfs/dbraw/zinc/31/96/15/210319615.db2.gz	CBYBEJXTZIFQBY-MRXNPFEDSA-N	-1	3	374.824	3.760	50	10		FHCAHM
CC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869254	210284032	/nfs/dbraw/zinc/28/40/32/210284032.db2.gz	RWZYBQBQFVZGAD-SFHVURJKSA-N	-1	3	369.852	3.885	50	10		FHCAHM
CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cc(Cl)ccc1[O-]	ZINC000011977038	570713658	/nfs/dbraw/zinc/71/36/58/570713658.db2.gz	SBYGZUSBYYIQEF-HOCLYGCPSA-N	-1	3	374.893	3.757	50	10		FHCAHM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc(O)c1	ZINC000101114438	570816840	/nfs/dbraw/zinc/81/68/40/570816840.db2.gz	RSOXZMDEMYVCQG-MHWRWJLKSA-N	-1	3	372.222	3.873	50	10		FHCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cnccn1	ZINC000010910055	570963678	/nfs/dbraw/zinc/96/36/78/570963678.db2.gz	LOACHLHAHRQCCP-NRFANRHFSA-N	-1	3	355.397	3.855	50	10		FHCAHM
CCCC[C@@H]1C[C@H]1C(=O)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000005003820	571072795	/nfs/dbraw/zinc/07/27/95/571072795.db2.gz	ZYBYCZKZDFBDHL-IUODEOHRSA-N	-1	3	364.397	3.899	50	10		FHCAHM
Cc1ccc(CNC(=O)C2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1	ZINC000004700552	571166797	/nfs/dbraw/zinc/16/67/97/571166797.db2.gz	CZIRBAKTYHMDHS-UHFFFAOYSA-N	-1	3	372.896	3.882	50	10		FHCAHM
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1[O-]	ZINC000001297954	219393665	/nfs/dbraw/zinc/39/36/65/219393665.db2.gz	ZVGMMEGJKAHMOW-ZROIWOOFSA-N	-1	3	358.400	3.706	50	10		FHCAHM
COc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1	ZINC000004942490	570564789	/nfs/dbraw/zinc/56/47/89/570564789.db2.gz	KEOHLVNGZDMKRO-GOSISDBHSA-N	-1	3	362.385	3.985	50	10		FHCAHM
O=C(CN1CCCCC1)N1N=C(c2ccccc2[O-])C[C@H]1c1cccs1	ZINC000170612665	571267867	/nfs/dbraw/zinc/26/78/67/571267867.db2.gz	BMQXYFXKMKZNNK-KRWDZBQOSA-N	-1	3	369.490	3.617	50	10		FHCAHM
COc1ccccc1[C@@H](NC(C)=O)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000869259	210283919	/nfs/dbraw/zinc/28/39/19/210283919.db2.gz	VBZSJOLGJVSKSW-QGZVFWFLSA-N	-1	3	356.809	3.828	50	10		FHCAHM
COc1ccc(C2=NN(C(=O)C(F)(F)F)[C@H](c3cccs3)C2)c([O-])c1	ZINC000253433460	571316725	/nfs/dbraw/zinc/31/67/25/571316725.db2.gz	XHTXKCTXBKTAFY-LBPRGKRZSA-N	-1	3	370.352	3.702	50	10		FHCAHM
COc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1	ZINC000037867414	571322759	/nfs/dbraw/zinc/32/27/59/571322759.db2.gz	RVEFWDFDCPPOIN-SFHVURJKSA-N	-1	3	350.418	3.811	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@@H+]2CCCC[C@H]2C)c1[O-]	ZINC000023135332	210237131	/nfs/dbraw/zinc/23/71/31/210237131.db2.gz	OKTNWOQZCAMSKP-OAHLLOKOSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@H+]2CCCC[C@H]2C)c1[O-]	ZINC000023135332	210237133	/nfs/dbraw/zinc/23/71/33/210237133.db2.gz	OKTNWOQZCAMSKP-OAHLLOKOSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccc([N+](=O)[O-])cc1NCc1cc(Br)ccc1[O-]	ZINC000000732349	219318555	/nfs/dbraw/zinc/31/85/55/219318555.db2.gz	YDDXDTUSNBXATP-UHFFFAOYSA-N	-1	3	353.172	3.684	50	10		FHCAHM
CCN(CC)c1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000003173573	210452763	/nfs/dbraw/zinc/45/27/63/210452763.db2.gz	ZZCHJMAPYLQKJP-WOJBJXKFSA-N	-1	3	363.461	3.702	50	10		FHCAHM
O=C([N-]N1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Cl	ZINC000001227963	210338313	/nfs/dbraw/zinc/33/83/13/210338313.db2.gz	WTFITOCUXDTJGD-UVTDQMKNSA-N	-1	3	374.874	3.886	50	10		FHCAHM
COc1ccccc1[C@@H](NC(=O)C(C)C)c1ccc2cccnc2c1[O-]	ZINC000000855784	210281795	/nfs/dbraw/zinc/28/17/95/210281795.db2.gz	LKTAHGUJCBIECB-LJQANCHMSA-N	-1	3	350.418	3.811	50	10		FHCAHM
O=C1c2ccccc2N[C@H](c2cc(O)c([O-])c(Cl)c2)N1c1ccncc1	ZINC000054702556	136125800	/nfs/dbraw/zinc/12/58/00/136125800.db2.gz	GBWOAMIJMNOBDQ-SFHVURJKSA-N	-1	3	367.792	3.917	50	10		FHCAHM
COc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1	ZINC000004942489	570564613	/nfs/dbraw/zinc/56/46/13/570564613.db2.gz	KEOHLVNGZDMKRO-SFHVURJKSA-N	-1	3	362.385	3.985	50	10		FHCAHM
Nc1ncnc([N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c1[N+](=O)[O-]	ZINC000004059588	570574361	/nfs/dbraw/zinc/57/43/61/570574361.db2.gz	LVYOHGORPJWIMQ-UHFFFAOYSA-N	-1	3	369.768	3.595	50	10		FHCAHM
CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000012412814	570743291	/nfs/dbraw/zinc/74/32/91/570743291.db2.gz	AXVWQRRZSRCUSU-WQRHYEAKSA-N	-1	3	352.369	3.503	50	10		FHCAHM
C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc([O-])cs2)CC1	ZINC000101044500	570803076	/nfs/dbraw/zinc/80/30/76/570803076.db2.gz	VXBWOQUOJRFAHL-GFCCVEGCSA-N	-1	3	350.871	3.626	50	10		FHCAHM
CC(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1[O-]	ZINC000002484231	571337332	/nfs/dbraw/zinc/33/73/32/571337332.db2.gz	ZMPRXGIKEBLOJN-LJQANCHMSA-N	-1	3	363.461	3.868	50	10	biogenic	FHCAHM
COc1ccc([C@@H](NC(C)=O)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000000869261	210284828	/nfs/dbraw/zinc/28/48/28/210284828.db2.gz	MTDGALZWYHDFPI-QGZVFWFLSA-N	-1	3	356.809	3.828	50	10		FHCAHM
O=C1c2ccccc2N[C@@H](c2cc(O)c([O-])c(Cl)c2)N1c1ccncc1	ZINC000054702555	136125790	/nfs/dbraw/zinc/12/57/90/136125790.db2.gz	GBWOAMIJMNOBDQ-GOSISDBHSA-N	-1	3	367.792	3.917	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1cn(-c2ccccc2)nc1C	ZINC000012420719	571097922	/nfs/dbraw/zinc/09/79/22/571097922.db2.gz	FRQVYFCDEVBUPJ-FQEVSTJZSA-N	-1	3	360.417	3.584	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc(Br)ccc1[O-]	ZINC000009260750	571102760	/nfs/dbraw/zinc/10/27/60/571102760.db2.gz	SNOUGFWDIGZVRI-INIZCTEOSA-N	-1	3	359.223	3.852	50	10		FHCAHM
O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2[O-])N1C[C@H]1CCCO1	ZINC000012556213	571181081	/nfs/dbraw/zinc/18/10/81/571181081.db2.gz	SKESJRGYEBDICY-FZKQIMNGSA-N	-1	3	358.825	3.791	50	10		FHCAHM
COc1ccccc1[C@H]1CC(c2ccccc2[O-])=NN1C(=O)c1ccco1	ZINC000170620251	571268768	/nfs/dbraw/zinc/26/87/68/571268768.db2.gz	OKNDJBIUURKKIZ-QGZVFWFLSA-N	-1	3	362.385	3.985	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2C)c1[O-]	ZINC000023135329	210236990	/nfs/dbraw/zinc/23/69/90/210236990.db2.gz	OKTNWOQZCAMSKP-HNNXBMFYSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[N@H+]2CCCC[C@@H]2C)c1[O-]	ZINC000023135329	210236994	/nfs/dbraw/zinc/23/69/94/210236994.db2.gz	OKTNWOQZCAMSKP-HNNXBMFYSA-N	-1	3	369.461	3.906	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2[O-])cc1	ZINC000023135338	210236437	/nfs/dbraw/zinc/23/64/37/210236437.db2.gz	VYFBQXYIMTUZTP-HNNXBMFYSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2[O-])cc1	ZINC000023135338	210236441	/nfs/dbraw/zinc/23/64/41/210236441.db2.gz	VYFBQXYIMTUZTP-HNNXBMFYSA-N	-1	3	369.461	3.764	50	10		FHCAHM
Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C)c(Br)c1O	ZINC000000939522	219343403	/nfs/dbraw/zinc/34/34/03/219343403.db2.gz	USYGNAHXWNRFEY-UHFFFAOYSA-N	-1	3	356.241	3.572	50	10		FHCAHM
CCC12CN3CC(CC)(CN(C1)C3c1c([O-])ccc3ccccc31)C2=O	ZINC000019320508	211214542	/nfs/dbraw/zinc/21/45/42/211214542.db2.gz	ZWMXYAWDCNEHQV-UHFFFAOYSA-N	-1	3	350.462	3.551	50	10		FHCAHM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(C)cc1	ZINC000018254549	211195578	/nfs/dbraw/zinc/19/55/78/211195578.db2.gz	ZVBBMFLRJMWYCZ-HMMYKYKNSA-N	-1	3	363.417	3.647	50	10		FHCAHM
CSc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1cc(F)ccc1[O-])N2	ZINC000000638091	570441937	/nfs/dbraw/zinc/44/19/37/570441937.db2.gz	IGEMSHSUQJORDT-LSDHHAIUSA-N	-1	3	356.426	3.991	50	10		FHCAHM
O=c1cc(-c2ccccc2)c2ccc([O-])c(CNCc3cccnc3)c2o1	ZINC000005426217	570654763	/nfs/dbraw/zinc/65/47/63/570654763.db2.gz	ZIZPYNGZRUNYJJ-UHFFFAOYSA-N	-1	3	358.397	3.850	50	10		FHCAHM
O=C1CCC[C@@H]1c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1O	ZINC000005048433	571072864	/nfs/dbraw/zinc/07/28/64/571072864.db2.gz	XYELBVKFSZKFGH-CQSZACIVSA-N	-1	3	365.838	3.683	50	10		FHCAHM
O=C1CCC[C@H]1c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1O	ZINC000005048431	571072885	/nfs/dbraw/zinc/07/28/85/571072885.db2.gz	XYELBVKFSZKFGH-AWEZNQCLSA-N	-1	3	365.838	3.683	50	10		FHCAHM
COc1ccccc1CC(=O)c1ccc([O-])c(C[NH+]2CCC(C)CC2)c1[O-]	ZINC000023135352	210236551	/nfs/dbraw/zinc/23/65/51/210236551.db2.gz	ZGLRENQJAKOUKM-UHFFFAOYSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1cccc(C(=O)c2coc3ccc([O-])c(CN4CCCC4)c23)c1	ZINC000604419434	568276631	/nfs/dbraw/zinc/27/66/31/568276631.db2.gz	OSXMSUVNDMPUID-UHFFFAOYSA-N	-1	3	351.402	3.974	50	10		FHCAHM
CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)cc1	ZINC000101141677	570817301	/nfs/dbraw/zinc/81/73/01/570817301.db2.gz	GBXGGKNVOLFIIM-UDWIEESQSA-N	-1	3	362.433	3.980	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(Br)ccc1[O-]	ZINC000009260752	571102767	/nfs/dbraw/zinc/10/27/67/571102767.db2.gz	SNOUGFWDIGZVRI-MRXNPFEDSA-N	-1	3	359.223	3.852	50	10		FHCAHM
O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc([O-])cc1	ZINC000001209989	219390143	/nfs/dbraw/zinc/39/01/43/219390143.db2.gz	IVOPSISUXWSCGK-ZROIWOOFSA-N	-1	3	358.400	3.706	50	10		FHCAHM
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc([O-])c1	ZINC000001297965	219394225	/nfs/dbraw/zinc/39/42/25/219394225.db2.gz	NQTYPFHQRJYVFH-ZSOIEALJSA-N	-1	3	358.400	3.706	50	10		FHCAHM
O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2[O-])N1C[C@H]1CCCO1	ZINC000012556214	220007382	/nfs/dbraw/zinc/00/73/82/220007382.db2.gz	SKESJRGYEBDICY-ACJLOTCBSA-N	-1	3	358.825	3.791	50	10		FHCAHM
Cn1c(-c2ccc(O)c(O)c2[O-])cs/c1=N\c1ccc2cc[nH]c2c1	ZINC000101728753	222282556	/nfs/dbraw/zinc/28/25/56/222282556.db2.gz	QDRVZYPOLCDFAZ-ZZEZOPTASA-N	-1	3	353.403	3.584	50	10		FHCAHM
Cn1cc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cn1	ZINC000010913335	570965092	/nfs/dbraw/zinc/96/50/92/570965092.db2.gz	HGBHMXNXNAQAEG-NRFANRHFSA-N	-1	3	357.413	3.798	50	10		FHCAHM
CCOc1ncccc1CN[C@@H](C)c1cc(Br)ccc1[O-]	ZINC000095469447	571330691	/nfs/dbraw/zinc/33/06/91/571330691.db2.gz	ZPQGXDBUKSWGBG-NSHDSACASA-N	-1	3	351.244	3.799	50	10		FHCAHM
Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000000819141	219326194	/nfs/dbraw/zinc/32/61/94/219326194.db2.gz	OBWTWXWWNYWHDH-UHFFFAOYSA-N	-1	3	357.797	3.787	50	10		FHCAHM
CC(C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1[O-]	ZINC000000855782	219332014	/nfs/dbraw/zinc/33/20/14/219332014.db2.gz	VKNRECYYHACCGX-QGZVFWFLSA-N	-1	3	365.389	3.710	50	10		FHCAHM
COc1ccc(C2=NN(C(=O)C(F)(F)F)[C@@H](c3cccs3)C2)c([O-])c1	ZINC000253433459	570626060	/nfs/dbraw/zinc/62/60/60/570626060.db2.gz	XHTXKCTXBKTAFY-GFCCVEGCSA-N	-1	3	370.352	3.702	50	10		FHCAHM
COc1ccc(-c2c(C)c3ccc([O-])c(CN(C)C)c3oc2=O)cc1OC	ZINC000004353829	570753725	/nfs/dbraw/zinc/75/37/25/570753725.db2.gz	VNDOLVPXXSKIDC-UHFFFAOYSA-N	-1	3	369.417	3.553	50	10	biogenic	FHCAHM
Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)c(C)cc1O	ZINC000002815469	571189235	/nfs/dbraw/zinc/18/92/35/571189235.db2.gz	LPXXYKULHQGFFF-UHFFFAOYSA-N	-1	3	356.241	3.572	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1[O-]	ZINC000079112404	571327040	/nfs/dbraw/zinc/32/70/40/571327040.db2.gz	WNVBMGMCMUBRGL-MRXNPFEDSA-N	-1	3	359.223	3.852	50	10		FHCAHM
CC(C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1[O-]	ZINC000000855781	219331896	/nfs/dbraw/zinc/33/18/96/219331896.db2.gz	VKNRECYYHACCGX-KRWDZBQOSA-N	-1	3	365.389	3.710	50	10		FHCAHM
Cc1cc(O)c(Br)c(C)c1[N-]S(=O)(=O)c1ccccc1	ZINC000000947549	219345718	/nfs/dbraw/zinc/34/57/18/219345718.db2.gz	LMTUFROAXRRQHR-UHFFFAOYSA-N	-1	3	356.241	3.572	50	10		FHCAHM
O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000170613732	571268063	/nfs/dbraw/zinc/26/80/63/571268063.db2.gz	WOWIADPXPCEOLF-UHFFFAOYSA-N	-1	3	351.189	3.668	50	10		FHCAHM
CCCC12CN3CC(C)(CN(C1)C3c1c([O-])ccc3ccccc31)C2=O	ZINC000019320239	220249247	/nfs/dbraw/zinc/24/92/47/220249247.db2.gz	DXFPXUXHOZUYRX-UHFFFAOYSA-N	-1	3	350.462	3.551	50	10		FHCAHM
Cn1c(-c2ccc(O)c(O)c2[O-])cs/c1=N\c1cccc2ncccc12	ZINC000101727681	222281717	/nfs/dbraw/zinc/28/17/17/222281717.db2.gz	YYULYAWIHRTZON-VZCXRCSSSA-N	-1	3	365.414	3.651	50	10		FHCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc(Br)cc1	ZINC000001273622	570497010	/nfs/dbraw/zinc/49/70/10/570497010.db2.gz	WKODMFSPVUOZAR-MRXNPFEDSA-N	-1	3	359.223	3.852	50	10		FHCAHM
C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc([O-])cs2)CC1	ZINC000101044496	570803204	/nfs/dbraw/zinc/80/32/04/570803204.db2.gz	VXBWOQUOJRFAHL-LBPRGKRZSA-N	-1	3	350.871	3.626	50	10		FHCAHM
CC(=O)N[C@@H](c1ccc(Br)cc1)c1ccc2cccnc2c1[O-]	ZINC000001218937	571069667	/nfs/dbraw/zinc/06/96/67/571069667.db2.gz	DXYUFSXQDXVFAO-INIZCTEOSA-N	-1	3	371.234	3.928	50	10		FHCAHM
CC(=O)N1N=C(c2cc(Br)ccc2[O-])C[C@H]1c1ccccc1	ZINC000044604774	571101808	/nfs/dbraw/zinc/10/18/08/571101808.db2.gz	MVIHUWXCYFNXMR-INIZCTEOSA-N	-1	3	359.223	3.852	50	10		FHCAHM
CC(=O)N1N=C(c2cc(Br)ccc2[O-])C[C@@H]1c1ccccc1	ZINC000044604776	571101830	/nfs/dbraw/zinc/10/18/30/571101830.db2.gz	MVIHUWXCYFNXMR-MRXNPFEDSA-N	-1	3	359.223	3.852	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3CCCCC3)c2[O-])cc1	ZINC000023135306	571218028	/nfs/dbraw/zinc/21/80/28/571218028.db2.gz	QOQDOTMDICSQPW-UHFFFAOYSA-N	-1	3	355.434	3.518	50	10		FHCAHM
[O-]c1c(CN2CCN(c3ccccn3)CC2)cc(Cl)c2ccccc12	ZINC000007778187	571288644	/nfs/dbraw/zinc/28/86/44/571288644.db2.gz	XYCJAINYKWVZRK-UHFFFAOYSA-N	-1	3	353.853	3.916	50	10		FHCAHM
Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)n1-c1ccccc1F	ZINC000003416368	571349264	/nfs/dbraw/zinc/34/92/64/571349264.db2.gz	KAYGDFANXAFOFY-UHFFFAOYSA-N	-1	3	367.376	3.979	50	10		FHCAHM
COc1ccccc1[C@H](NC(=O)C(C)C)c1ccc2cccnc2c1[O-]	ZINC000000855783	219332067	/nfs/dbraw/zinc/33/20/67/219332067.db2.gz	LKTAHGUJCBIECB-IBGZPJMESA-N	-1	3	350.418	3.811	50	10		FHCAHM
CCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1[O-]	ZINC000001197087	219388009	/nfs/dbraw/zinc/38/80/09/219388009.db2.gz	QNPSQPFPEUYCEM-IBGZPJMESA-N	-1	3	366.417	3.573	50	10	biogenic	FHCAHM
COc1ccc(OC)c(C(=O)c2c(C)oc3ccc([O-])c(CN(C)C)c32)c1	ZINC000001323548	219394686	/nfs/dbraw/zinc/39/46/86/219394686.db2.gz	ULJLYYRGIKRODT-UHFFFAOYSA-N	-1	3	369.417	3.757	50	10	biogenic	FHCAHM
O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2[O-])N1C[C@@H]1CCCO1	ZINC000012556211	220006857	/nfs/dbraw/zinc/00/68/57/220006857.db2.gz	SKESJRGYEBDICY-SCLBCKFNSA-N	-1	3	358.825	3.791	50	10		FHCAHM
COc1cccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c1	ZINC000225518187	571042218	/nfs/dbraw/zinc/04/22/18/571042218.db2.gz	NHVJPBGJWKJRII-GOSISDBHSA-N	-1	3	362.385	3.985	50	10		FHCAHM
Cc1c(C)c([N-]S(=O)(=O)c2ccccc2)cc(Br)c1O	ZINC000000947556	219345966	/nfs/dbraw/zinc/34/59/66/219345966.db2.gz	OEBXGIWQVPVBJE-UHFFFAOYSA-N	-1	3	356.241	3.572	50	10		FHCAHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)S1	ZINC000001137141	219378468	/nfs/dbraw/zinc/37/84/68/219378468.db2.gz	TTWJUASOWFXVNN-YVLHZVERSA-N	-1	3	370.405	3.511	50	10		FHCAHM
CCCCC12CN3CC(C)(CN(C1)C3c1c([O-])ccc3ccccc31)C2=O	ZINC000019323683	220250262	/nfs/dbraw/zinc/25/02/62/220250262.db2.gz	ZRHALYVUKOPZIQ-UHFFFAOYSA-N	-1	3	364.489	3.941	50	10		FHCAHM
Cc1cccc(N2CCN(Cc3cc(-c4ncccn4)ccc3[O-])CC2)c1C	ZINC000064024208	221145322	/nfs/dbraw/zinc/14/53/22/221145322.db2.gz	YSCZRXKIGAMXFQ-UHFFFAOYSA-N	-1	3	374.488	3.788	50	10		FHCAHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)S1	ZINC000001137664	219377708	/nfs/dbraw/zinc/37/77/08/219377708.db2.gz	SXJWSZYQUKCWPS-YVLHZVERSA-N	-1	3	370.405	3.511	50	10		FHCAHM
Cc1ccc(N2CCN(Cc3cc(-c4cnccn4)ccc3[O-])CC2)c(C)c1	ZINC000064058558	221145359	/nfs/dbraw/zinc/14/53/59/221145359.db2.gz	IXMRAIWPYVMMFV-UHFFFAOYSA-N	-1	3	374.488	3.788	50	10		FHCAHM
CC(C)(C)c1cc(N=c2c(=O)c3ccccc3c2=O)c([O-])c(C(C)(C)C)c1	ZINC000005379800	570650417	/nfs/dbraw/zinc/65/04/17/570650417.db2.gz	FLWBZNCBZALFPZ-UHFFFAOYSA-N	-1	3	363.457	3.969	50	10		FHCAHM
CCN(CC)c1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000003173566	571345199	/nfs/dbraw/zinc/34/51/99/571345199.db2.gz	ZZCHJMAPYLQKJP-PMACEKPBSA-N	-1	3	363.461	3.702	50	10		FHCAHM
O=C(Cc1ccccc1)N[C@H](c1ccco1)c1ccc2cccnc2c1[O-]	ZINC000003894220	571352979	/nfs/dbraw/zinc/35/29/79/571352979.db2.gz	HNPYDBOZQIKEOR-NRFANRHFSA-N	-1	3	358.397	3.982	50	10		FHCAHM
Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000000951365	219345336	/nfs/dbraw/zinc/34/53/36/219345336.db2.gz	NTKFDEAIKJRFRK-UHFFFAOYSA-N	-1	3	356.241	3.572	50	10		FHCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(Br)c2C)cc1	ZINC000001091132	219368709	/nfs/dbraw/zinc/36/87/09/219368709.db2.gz	RFWATAXSVPFMRB-UHFFFAOYSA-N	-1	3	370.268	3.881	50	10		FHCAHM
O=C1/C(=C/c2cc(Cl)ccc2[O-])SC(=S)N1Cc1cccnc1	ZINC000001164722	219383529	/nfs/dbraw/zinc/38/35/29/219383529.db2.gz	YJTBWEGKQOXMQV-AUWJEWJLSA-N	-1	3	362.863	3.842	50	10		FHCAHM
COc1ccc([C@H](NC(C)=O)c2c([O-])ccc3ccccc32)cc1OC	ZINC000001197079	219388540	/nfs/dbraw/zinc/38/85/40/219388540.db2.gz	IIDLZHSTJAXEIU-NRFANRHFSA-N	-1	3	351.402	3.788	50	10		FHCAHM
CCCC[C@H]1C[C@H]1C(=O)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000005003821	219638176	/nfs/dbraw/zinc/63/81/76/219638176.db2.gz	ZYBYCZKZDFBDHL-SWLSCSKDSA-N	-1	3	364.397	3.899	50	10		FHCAHM
CCOc1ccc(NC=C2C(=O)N(c3nc4ccccc4[n-]3)N=C2C)cc1	ZINC000018254450	220230281	/nfs/dbraw/zinc/23/02/81/220230281.db2.gz	VLWAIMXLXAEEAE-FOWTUZBSSA-N	-1	3	361.405	3.680	50	10		FHCAHM
[O-]c1cc2[nH]c3ccccc3c2cc1CN1CCN(c2ccccn2)CC1	ZINC000009514992	132379115	/nfs/dbraw/zinc/37/91/15/132379115.db2.gz	PSQJYQXZEALGMB-UHFFFAOYSA-N	-1	3	358.445	3.744	50	10		FHCAHM
O=C(c1[n-]nc2c1ccc1c2C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000004817749	570485036	/nfs/dbraw/zinc/48/50/36/570485036.db2.gz	SGJBKBSDMYICBF-UHFFFAOYSA-N	-1	3	352.349	3.569	50	10		FHCAHM
O=C(c1n[n-]c2c1ccc1c2C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000004817749	570485038	/nfs/dbraw/zinc/48/50/38/570485038.db2.gz	SGJBKBSDMYICBF-UHFFFAOYSA-N	-1	3	352.349	3.569	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2[O-])cc1	ZINC000023135335	571218142	/nfs/dbraw/zinc/21/81/42/571218142.db2.gz	VYFBQXYIMTUZTP-OAHLLOKOSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2[O-])cc1	ZINC000023135335	571218143	/nfs/dbraw/zinc/21/81/43/571218143.db2.gz	VYFBQXYIMTUZTP-OAHLLOKOSA-N	-1	3	369.461	3.764	50	10		FHCAHM
COc1ccc(-c2c(C)c3ccc([O-])c(CN(C)C)c3oc2=O)c(OC)c1	ZINC000006623814	571237444	/nfs/dbraw/zinc/23/74/44/571237444.db2.gz	DUXOXZZJZFYQMR-UHFFFAOYSA-N	-1	3	369.417	3.553	50	10	biogenic	FHCAHM