smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CC[N@H+](C)Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O	ZINC000049067806	205125426	/nfs/dbraw/zinc/12/54/26/205125426.db2.gz	KQGKBJVLEOOULK-UHFFFAOYSA-N	1	1	387.487	2.931	1	0		GFAFMO
CN(C)CC[N@@H+](C)Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O	ZINC000049067806	205125431	/nfs/dbraw/zinc/12/54/31/205125431.db2.gz	KQGKBJVLEOOULK-UHFFFAOYSA-N	1	1	387.487	2.931	1	0		GFAFMO
Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CC[NH+](C)CC4)cc3)ccc12	ZINC000058583177	205177589	/nfs/dbraw/zinc/17/75/89/205177589.db2.gz	DBUJQRALRKDCPM-UHFFFAOYSA-N	1	1	387.487	2.899	1	0		GFAFMO
CC[C@H]1[C@H]2[C@@H](CCC[N@@H+]3[C@H]2CC[C@H]3[C@@H]2C[C@H](C)C(=O)O2)O[C@]12C[C@H](C)C(=O)O2	ZINC000070454822	291120111	/nfs/dbraw/zinc/12/01/11/291120111.db2.gz	LJJHXRHHLDKWHD-JNWFCKCLSA-N	1	1	391.508	2.885	1	0	biogenic,in-vitro	GFAFMO
CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1cccc(F)c1)cn2CC[NH+](C)C	ZINC000045283952	205094090	/nfs/dbraw/zinc/09/40/90/205094090.db2.gz	UNKWYRPAWUIZDJ-UHFFFAOYSA-N	1	1	389.452	2.772	1	0		GFAFMO
CC[C@H]1C2=C3[N@H+](CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@]32[C@@H]1OC(=O)[C@H]2C	ZINC000103545989	291120089	/nfs/dbraw/zinc/12/00/89/291120089.db2.gz	SIELXTGPFIGRLA-IGLKXLNKSA-N	1	1	387.476	2.607	1	0	biogenic,in-vitro	GFAFMO
CC[C@H]1C2=C3[N@@H+](CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@]32[C@@H]1OC(=O)[C@H]2C	ZINC000103545989	291120092	/nfs/dbraw/zinc/12/00/92/291120092.db2.gz	SIELXTGPFIGRLA-IGLKXLNKSA-N	1	1	387.476	2.607	1	0	biogenic,in-vitro	GFAFMO
CC(C)[NH+](CC[C@](CCN1CCOCC1)(C(N)=O)c1ccccc1)C(C)C	ZINC000039254135	205041356	/nfs/dbraw/zinc/04/13/56/205041356.db2.gz	TZUSJEAELHDFDF-QFIPXVFZSA-N	1	1	375.557	2.641	1	0		GFAFMO
CCC(O)=C1C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@@H](O5)C1=O	ZINC000195068931	205916559	/nfs/dbraw/zinc/91/65/59/205916559.db2.gz	BPECEJDPRFPPQD-VRAFFPSXSA-N	1	1	395.499	2.919	1	0		GFAFMO
CCC(=O)C1=C(O)[C@@H]2Oc3c4c(ccc3OC)C[C@H]3[C@H](C1)[C@]42CC[N@@H+]3CC1CC1	ZINC000195068931	205916570	/nfs/dbraw/zinc/91/65/70/205916570.db2.gz	BPECEJDPRFPPQD-VRAFFPSXSA-N	1	1	395.499	2.919	1	0		GFAFMO
CCC(=O)C1=C(O)[C@@H]2Oc3c4c(ccc3OC)C[C@H]3[C@H](C1)[C@]42CC[N@H+]3CC1CC1	ZINC000195068931	205916572	/nfs/dbraw/zinc/91/65/72/205916572.db2.gz	BPECEJDPRFPPQD-VRAFFPSXSA-N	1	1	395.499	2.919	1	0		GFAFMO
CO[C@@](C)(C(C)C)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)CC[NH2+]1	ZINC000095583449	536818497	/nfs/dbraw/zinc/81/84/97/536818497.db2.gz	PXRPXQKBRGMQJJ-KKSFZXQISA-N	1	1	398.486	2.998	1	0		GFAFMO
N=C1O[C@H](C[NH+]2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1	ZINC000003786672	204019718	/nfs/dbraw/zinc/01/97/18/204019718.db2.gz	PWSMUIKHDKMJNC-LJQANCHMSA-N	1	1	379.464	2.676	1	0		GFAFMO
C/C=C1\C[N@@H+](C)[C@H]2C[C@]3(c4ccc(OC)cc4N(OC)C3=O)[C@H]3C[C@@H]1[C@@H]2CO3	ZINC000040972401	205076533	/nfs/dbraw/zinc/07/65/33/205076533.db2.gz	ILXSNNTYRNLDCX-NJFXSBFBSA-N	1	1	384.476	2.526	1	0		GFAFMO
O=C(Nc1cccc(F)c1)NC1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCCC1	ZINC000004981935	204100107	/nfs/dbraw/zinc/10/01/07/204100107.db2.gz	CDISWVAETGXUAI-SFHVURJKSA-N	1	1	388.487	2.957	3	0		GFAFMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2O[C@@H](CC)C1=O	ZINC000007991511	204257810	/nfs/dbraw/zinc/25/78/10/204257810.db2.gz	GPNVWHXBSLWUIM-MJGOQNOKSA-N	1	1	387.524	2.961	3	0		GFAFMO
O=C(Nc1n[nH]cc1Br)N1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000058581149	205175891	/nfs/dbraw/zinc/17/58/91/205175891.db2.gz	UGJXHJIPJBYGQQ-UHFFFAOYSA-N	1	1	396.264	2.704	1	0		GFAFMO
CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@H+]3C)[C@@H](O5)[C@@H]1O	ZINC000058543117	205176956	/nfs/dbraw/zinc/17/69/56/205176956.db2.gz	FUENFDZJVVFQJQ-KSNWGTGWSA-N	1	1	387.520	2.504	1	0		GFAFMO
c1nc2cc(-c3nc(N4CCOCC4)nc4c3CCN4c3cc[nH+]cc3)ccc2[nH]1	ZINC000095598131	136182491	/nfs/dbraw/zinc/18/24/91/136182491.db2.gz	KNXLROPQNFNDQQ-UHFFFAOYSA-N	1	1	399.458	2.946	1	0		GFAFMO
CNC(=O)C[N@@H+]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1	ZINC000028896508	581097355	/nfs/dbraw/zinc/09/73/55/581097355.db2.gz	JMOMBPSAYLGZAN-CYBMUJFWSA-N	1	1	398.898	2.901	1	0		GFAFMO
CNC(=O)C[N@H+]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1	ZINC000028896508	581097356	/nfs/dbraw/zinc/09/73/56/581097356.db2.gz	JMOMBPSAYLGZAN-CYBMUJFWSA-N	1	1	398.898	2.901	1	0		GFAFMO
COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(C(=O)CCSC)C1)CC2	ZINC000012315963	204395430	/nfs/dbraw/zinc/39/54/30/204395430.db2.gz	DMGCIYUGINHPDI-QGZVFWFLSA-N	1	1	378.538	2.806	1	0		GFAFMO
CCc1c(Br)cc(O)c(OC)c1C(=O)NC[C@@H]1CCC[N@@H+]1CC	ZINC000064446691	205189812	/nfs/dbraw/zinc/18/98/12/205189812.db2.gz	OFVIWVBNYVKRLE-NSHDSACASA-N	1	1	385.302	2.940	1	0		GFAFMO
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@@]42CC[C@]1(OC)[C@@H](C(C)(C)O)C2	ZINC000005941570	204159230	/nfs/dbraw/zinc/15/92/30/204159230.db2.gz	MKWFKXIKUBABHP-YXUNAXOOSA-N	1	1	399.531	2.910	1	0		GFAFMO
C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000045189484	205092467	/nfs/dbraw/zinc/09/24/67/205092467.db2.gz	ZYNKPRJYGBZGAV-GUTXKFCHSA-N	1	1	394.459	2.608	1	0		GFAFMO
C[NH+]1CC2(C1)CNC(=O)c1c3c([nH]c12)-c1cc(-c2ccccc2F)ncc1CC3	ZINC000058638744	205176441	/nfs/dbraw/zinc/17/64/41/205176441.db2.gz	XZZOJFOFCDHYRX-UHFFFAOYSA-N	1	1	388.446	2.908	1	0	in-vitro	GFAFMO
C[N@H+]1CC[C@@]23c4c5c(NCc6cccc(O)c6)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5	ZINC000084669460	205397888	/nfs/dbraw/zinc/39/78/88/205397888.db2.gz	FJGKBJIDYMKFRE-UPQYSNQFSA-N	1	1	390.483	2.810	1	0		GFAFMO
COC(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000014947754	207032500	/nfs/dbraw/zinc/03/25/00/207032500.db2.gz	AAQUTCQUQREQSP-FHWLQOOXSA-N	1	1	388.414	2.647	1	0		GFAFMO
S=C1Nc2ccccc2C2=N[C@H](C[NH+]3CCN(c4ccccc4)CC3)CN21	ZINC000022940673	207267620	/nfs/dbraw/zinc/26/76/20/207267620.db2.gz	MLCJXTBXXGDLFP-MRXNPFEDSA-N	1	1	377.517	2.650	1	0		GFAFMO
COc1ccc2c(c1)Sc1ccccc1N2NC(=O)CC[NH+]1CCN(C)CC1	ZINC000073142095	537002993	/nfs/dbraw/zinc/00/29/93/537002993.db2.gz	NKDXKDSKOXRNRM-UHFFFAOYSA-N	1	1	398.532	2.967	1	0		GFAFMO
CO[C@]12C=C[C@@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CC[N@H+]1C)[C@@H]2O5	ZINC000029208887	207358039	/nfs/dbraw/zinc/35/80/39/207358039.db2.gz	VAGUZCYSBGOWIA-YOCPMGGBSA-N	1	1	395.499	2.528	1	0		GFAFMO
O=C(O[C@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5)c1ccccc1	ZINC000073162881	208033827	/nfs/dbraw/zinc/03/38/27/208033827.db2.gz	PPRMAGAZSQCYCB-FNAHDJPLSA-N	1	1	391.423	2.613	1	0		GFAFMO
O[C@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OCc1ccccc1)OCO5	ZINC000073196549	208034990	/nfs/dbraw/zinc/03/49/90/208034990.db2.gz	SGDVZQLKIZTDAA-XSEFMFLKSA-N	1	1	377.440	2.973	1	0		GFAFMO
CO[C@@](C)(C(C)C)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)CC[NH2+]1	ZINC000095583451	536819496	/nfs/dbraw/zinc/81/94/96/536819496.db2.gz	PXRPXQKBRGMQJJ-IERDGZPVSA-N	1	1	398.486	2.998	1	0		GFAFMO
C[N@H+]1CCCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1	ZINC000040431161	581100002	/nfs/dbraw/zinc/10/00/02/581100002.db2.gz	RIVKJCNOYQAWOL-UHFFFAOYSA-N	1	1	388.475	2.796	1	0		GFAFMO
C[N@@H+]1CCCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000040431161	581100003	/nfs/dbraw/zinc/10/00/03/581100003.db2.gz	RIVKJCNOYQAWOL-UHFFFAOYSA-N	1	1	388.475	2.796	1	0		GFAFMO
C[N@H+]1CCCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000040431161	581100004	/nfs/dbraw/zinc/10/00/04/581100004.db2.gz	RIVKJCNOYQAWOL-UHFFFAOYSA-N	1	1	388.475	2.796	1	0		GFAFMO
CNC(=O)c1ccc2c(c1)[nH]nc2-c1cc2cc(C[NH+]3CCOCC3)ccc2[nH]1	ZINC000014949235	207032888	/nfs/dbraw/zinc/03/28/88/207032888.db2.gz	RXOGENJPRMPUAI-UHFFFAOYSA-N	1	1	389.459	2.903	1	0		GFAFMO
C[NH+]1CCN(C(=O)c2[nH]cc(-c3ccc(Cl)cc3)c2N2CCOCC2)CC1	ZINC000027854455	207332101	/nfs/dbraw/zinc/33/21/01/207332101.db2.gz	HSYOYARUDZCSPK-UHFFFAOYSA-N	1	1	388.899	2.559	1	0		GFAFMO
CCOC(=O)C1=C(O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]3C1	ZINC000028091185	207335249	/nfs/dbraw/zinc/33/52/49/207335249.db2.gz	NGDXDQSSXJGFDM-JEBQKTDQSA-N	1	1	383.488	2.829	1	0		GFAFMO
CO[C@H](C)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4O)C[C@@H]2[N@H+](C)CC[C@@]513	ZINC000029485654	207362799	/nfs/dbraw/zinc/36/27/99/207362799.db2.gz	DRJFACWZQYBMLO-VWSOKVJYSA-N	1	1	383.488	2.647	1	0		GFAFMO
Cc1ccc(S(=O)(=O)N2CCC(=O)c3c(N4CC[NH+](C)CC4)cccc32)cc1	ZINC000066262748	136164361	/nfs/dbraw/zinc/16/43/61/136164361.db2.gz	JHPXIIDMXOSCAF-UHFFFAOYSA-N	1	1	399.516	2.529	1	0		GFAFMO
C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1	ZINC000045385479	581098750	/nfs/dbraw/zinc/09/87/50/581098750.db2.gz	CBTWKVIWLYXVTA-SFHVURJKSA-N	1	1	377.448	2.547	1	0		GFAFMO
C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1	ZINC000045385479	581098751	/nfs/dbraw/zinc/09/87/51/581098751.db2.gz	CBTWKVIWLYXVTA-SFHVURJKSA-N	1	1	377.448	2.547	1	0		GFAFMO
CO[C@@H]1CCC[N@@H+](CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1	ZINC000013644940	206985512	/nfs/dbraw/zinc/98/55/12/206985512.db2.gz	HDYMZDLRTYUGIJ-QGZVFWFLSA-N	1	1	396.495	2.754	1	0		GFAFMO
COC(=O)[C@H]1[C@@H](O)CC[C@@H]2C[N@@H+]3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@H]12	ZINC000014827789	207029574	/nfs/dbraw/zinc/02/95/74/207029574.db2.gz	WMMZYEBFJWWUJX-QGPZCANZSA-N	1	1	384.476	2.656	1	0		GFAFMO
COC(=O)[C@H]1[C@@H](O)CC[C@@H]2C[N@H+]3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@H]12	ZINC000014827789	207029577	/nfs/dbraw/zinc/02/95/77/207029577.db2.gz	WMMZYEBFJWWUJX-QGPZCANZSA-N	1	1	384.476	2.656	1	0		GFAFMO
C[NH+]1CCN(C(=O)/C(NC(=O)c2ccccc2)=C(/Cl)c2ccccc2)CC1	ZINC000072177367	207987892	/nfs/dbraw/zinc/98/78/92/207987892.db2.gz	YJURCGPFQYLFNS-HNENSFHCSA-N	1	1	383.879	2.798	1	0		GFAFMO
C[N@H+]1CC[C@@]23c4c5c(NCc6ccc(O)cc6)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5	ZINC000084669829	208096935	/nfs/dbraw/zinc/09/69/35/208096935.db2.gz	HQYWOJDYXZKIOI-UPQYSNQFSA-N	1	1	390.483	2.810	1	0		GFAFMO
C[C@H]1C[C@@H]([C@@H]2CC[C@H]3[C@H]([C@H]4[C@H]5OC(=O)[C@@H](C)[C@H]5O[C@H]4C)CCCC[N@@H+]23)OC1=O	ZINC000070454851	291122903	/nfs/dbraw/zinc/12/29/03/291122903.db2.gz	NSVYJHREGGWCHW-HTHWTJBFSA-N	1	1	391.508	2.536	1	0	biogenic,in-vitro	GFAFMO
CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1	ZINC000020138937	207178637	/nfs/dbraw/zinc/17/86/37/207178637.db2.gz	UUHGVIRYFOYJIC-FGZHOGPDSA-N	1	1	389.499	2.688	1	0		GFAFMO
Cn1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s/c1=N\C1CCCCC1	ZINC000028386915	207340387	/nfs/dbraw/zinc/34/03/87/207340387.db2.gz	VPXVKAVMTZIQPH-DQRAZIAOSA-N	1	1	399.564	2.770	1	0		GFAFMO
CNC(=O)C[NH+]1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1	ZINC000028896513	207350728	/nfs/dbraw/zinc/35/07/28/207350728.db2.gz	YJIHRITUIVWNPX-UHFFFAOYSA-N	1	1	398.898	2.901	1	0		GFAFMO
CC[C@H](C)n1ncn([C@H]2CCC=C[C@H]2[NH+]2CCN(c3ccc(O)cc3)CC2)c1=O	ZINC000306122556	209095079	/nfs/dbraw/zinc/09/50/79/209095079.db2.gz	WFUNCVLJDFLECA-WMQCIHAUSA-N	1	1	397.523	2.803	2	0		GFAFMO
CC[C@H]1[C@H]2[C@@H](CCC[N@@H+]3[C@H]2CC[C@H]3[C@@H]2C[C@H](C)C(=O)O2)O[C@]12C=C(C)C(=O)O2	ZINC000034849696	560086874	/nfs/dbraw/zinc/08/68/74/560086874.db2.gz	UINUUSQOLRQGNF-KLDYRVGWSA-N	1	1	389.492	2.805	1	0	biogenic,in-vitro	GFAFMO
CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O	ZINC000013676861	206989252	/nfs/dbraw/zinc/98/92/52/206989252.db2.gz	VSQRJMWTEZXIBW-RAXVHSSMSA-N	1	1	382.464	2.805	1	0		GFAFMO
OCC(CO)N1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1	ZINC000028016829	207334667	/nfs/dbraw/zinc/33/46/67/207334667.db2.gz	FPMPUNRITMVLEJ-RBBKRZOGSA-N	1	1	388.458	2.512	1	0		GFAFMO
OCC(CO)[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1	ZINC000028016829	207334668	/nfs/dbraw/zinc/33/46/68/207334668.db2.gz	FPMPUNRITMVLEJ-RBBKRZOGSA-N	1	1	388.458	2.512	1	0		GFAFMO
NS(=O)(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1	ZINC000028360046	207340767	/nfs/dbraw/zinc/34/07/67/207340767.db2.gz	ZLNQCZSYJWUEGK-UHFFFAOYSA-N	1	1	393.940	2.695	1	0		GFAFMO
NS(=O)(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1	ZINC000028360046	207340770	/nfs/dbraw/zinc/34/07/70/207340770.db2.gz	ZLNQCZSYJWUEGK-UHFFFAOYSA-N	1	1	393.940	2.695	1	0		GFAFMO
NS(=O)(=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1	ZINC000028360046	207340775	/nfs/dbraw/zinc/34/07/75/207340775.db2.gz	ZLNQCZSYJWUEGK-UHFFFAOYSA-N	1	1	393.940	2.695	1	0		GFAFMO
CN1C[C@H](c2cccc(F)c2)[C@]2(C[N@H+](C)CCC2=O)[C@@]12c1ccccc1NC2=O	ZINC000096903839	208328045	/nfs/dbraw/zinc/32/80/45/208328045.db2.gz	NIMGFLSUXXNOGP-LEOXJPRUSA-N	1	1	393.462	2.593	1	0		GFAFMO
CN1C[C@H](c2cccc(F)c2)[C@]2(C[N@@H+](C)CCC2=O)[C@@]12c1ccccc1NC2=O	ZINC000096903839	208328052	/nfs/dbraw/zinc/32/80/52/208328052.db2.gz	NIMGFLSUXXNOGP-LEOXJPRUSA-N	1	1	393.462	2.593	1	0		GFAFMO
CN1CC[NH+](CCCN2c3ccccc3O[C@H](Cc3ccccc3)C2=O)CC1	ZINC000169324429	136197214	/nfs/dbraw/zinc/19/72/14/136197214.db2.gz	QHSJDHSSQHQEGN-JOCHJYFZSA-N	1	1	379.504	2.661	1	0		GFAFMO
CN1c2ccccc2N(C(=O)C[NH+](C)C)c2ccc(Cl)cc2S1(=O)=O	ZINC000028765486	207348816	/nfs/dbraw/zinc/34/88/16/207348816.db2.gz	KIAMRVBGNUOOBU-UHFFFAOYSA-N	1	1	379.869	2.705	1	0		GFAFMO
CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc21	ZINC000028891860	207350934	/nfs/dbraw/zinc/35/09/34/207350934.db2.gz	HGEFPGVVQSTWMX-PKOBYXMFSA-N	1	1	376.522	2.599	1	0		GFAFMO
O=c1oc2ncccc2n1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000000598231	209250320	/nfs/dbraw/zinc/25/03/20/209250320.db2.gz	DDPNSZOGLGMFIO-UHFFFAOYSA-N	1	1	392.381	2.831	1	0		GFAFMO
OC[C@@H](O)CN1CC[NH+]([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1	ZINC000084595492	211171371	/nfs/dbraw/zinc/17/13/71/211171371.db2.gz	GCSNYHBLOFJHDQ-VCOUNFBDSA-N	1	1	388.458	2.512	1	0		GFAFMO
OC[C@@H](O)C[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1	ZINC000084595492	211171373	/nfs/dbraw/zinc/17/13/73/211171373.db2.gz	GCSNYHBLOFJHDQ-VCOUNFBDSA-N	1	1	388.458	2.512	1	0		GFAFMO
CN1c2ccccc2C2=NC[C@@H](C[NH+]3CCN(c4ccccc4)CC3)N2C1=O	ZINC000013832340	210094677	/nfs/dbraw/zinc/09/46/77/210094677.db2.gz	DDBDQJLGWORGPW-SFHVURJKSA-N	1	1	375.476	2.509	1	0		GFAFMO
CCCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CC[N@H+]2C4)[C@@H]6[C@@H]35	ZINC000085531660	291120040	/nfs/dbraw/zinc/12/00/40/291120040.db2.gz	HSSPPKUPUVYOBZ-KSTKQVBDSA-N	1	1	392.499	2.847	1	0	biogenic,in-vitro	GFAFMO
CO[C@H](CO)C[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	ZINC000013861685	210096547	/nfs/dbraw/zinc/09/65/47/210096547.db2.gz	VEFWIPJNZIESHB-INIZCTEOSA-N	1	1	383.517	2.854	1	0		GFAFMO
C[N@H+]1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13	ZINC000095560458	211277453	/nfs/dbraw/zinc/27/74/53/211277453.db2.gz	WKYUIXGZVZDIIN-GMKZXUHWSA-N	1	1	388.467	2.674	1	0		GFAFMO
CN1C(=O)[C@@H]2C[C@@H]3[C@@H]4Nc5ccc(Cl)cc5C(C)(C)[C@@H]4C[N@H+]3[C@H]2N(C)C1=O	ZINC000066112035	211001855	/nfs/dbraw/zinc/00/18/55/211001855.db2.gz	LEEFVVZQTDQNSU-MNGYRCLDSA-N	1	1	388.899	2.582	1	0		GFAFMO
CNC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1C[NH3+]	ZINC000028950219	210537941	/nfs/dbraw/zinc/53/79/41/210537941.db2.gz	HYMSRFJJDZEUKU-UHFFFAOYSA-N	1	1	380.326	2.736	1	0		GFAFMO
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CC[NH+](C)CC3)n2)cc1	ZINC000169312509	136197103	/nfs/dbraw/zinc/19/71/03/136197103.db2.gz	XDSAALDVHQCISS-UHFFFAOYSA-N	1	1	394.483	2.756	1	0		GFAFMO
CCOC(=O)N1CCC(C)(C[N@H+]2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1	ZINC000095587942	211280403	/nfs/dbraw/zinc/28/04/03/211280403.db2.gz	XYJGESNOBLCYIX-SFHVURJKSA-N	1	1	385.508	2.909	1	0		GFAFMO
O=C(Cn1ncc2c1-c1ccccc1OC2)N1CC[NH+](Cc2ccccc2)CC1	ZINC000020356874	210329557	/nfs/dbraw/zinc/32/95/57/210329557.db2.gz	CLNBQLJHHYMCST-UHFFFAOYSA-N	1	1	388.471	2.787	3	0		GFAFMO
C[NH+]1CCN(c2nc(N)nc3c4cc(Br)ccc4sc32)CC1	ZINC000073156181	136171503	/nfs/dbraw/zinc/17/15/03/136171503.db2.gz	NZTKTKHFBAIZNM-UHFFFAOYSA-N	1	1	378.299	2.941	1	0		GFAFMO
C[NH+]1CCN(Cc2ccc(-c3cnc(N)nc3-c3ccccc3O)cc2)CC1	ZINC000071317924	211045658	/nfs/dbraw/zinc/04/56/58/211045658.db2.gz	CPNZZKZUNKWMBL-UHFFFAOYSA-N	1	1	375.476	2.846	1	0		GFAFMO
COC[C@@H](CO)[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	ZINC000013861686	210095701	/nfs/dbraw/zinc/09/57/01/210095701.db2.gz	LXKHZIVVODUPIX-MRXNPFEDSA-N	1	1	383.517	2.854	1	0		GFAFMO
COC(=O)c1ccc(Cc2nn(C[C@H]3CCC[N@H+]3C)c(=O)c3ccccc23)cc1	ZINC000071318811	211044892	/nfs/dbraw/zinc/04/48/92/211044892.db2.gz	SHXAAVWRLZPGKQ-GOSISDBHSA-N	1	1	391.471	2.868	1	0		GFAFMO
C[NH+]1CCN(c2nc(N)nc3c4ccc(Br)cc4sc32)CC1	ZINC000073168486	136171434	/nfs/dbraw/zinc/17/14/34/136171434.db2.gz	NKCONADKOQDWAP-UHFFFAOYSA-N	1	1	378.299	2.941	1	0		GFAFMO
C[NH+]1CCN(C(=O)[C@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)CC1	ZINC000013681810	210079872	/nfs/dbraw/zinc/07/98/72/210079872.db2.gz	VNXBDWUNAYPTRF-MLPUIEGLSA-N	1	1	398.547	2.609	1	0		GFAFMO
O=c1c2ccccc2nnn1CC[NH+]1CCN(c2cccc3ccccc32)CC1	ZINC000071295555	211043677	/nfs/dbraw/zinc/04/36/77/211043677.db2.gz	JQQXUGWNTUCGOI-UHFFFAOYSA-N	1	1	385.471	2.767	1	0		GFAFMO
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cscn3)C2)CC1	ZINC000061969848	537068864	/nfs/dbraw/zinc/06/88/64/537068864.db2.gz	JWAMHIZLWHNYJS-MRXNPFEDSA-N	1	1	386.521	2.579	3	0		GFAFMO
C[N@H+]1CCCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1	ZINC000058583250	222054242	/nfs/dbraw/zinc/05/42/42/222054242.db2.gz	PGNIUXGQLVHGHX-FQEVSTJZSA-N	1	1	380.471	2.587	1	0		GFAFMO
CC/C=C/[C@@]12[C@H]3CC[N@@H+]1[C@H]1C[C@@H]2O[C@@]32O/C(=C3/OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12	ZINC000070454857	560047848	/nfs/dbraw/zinc/04/78/48/560047848.db2.gz	XNUWGEPKIOWLHQ-PMNXYVIBSA-N	1	1	385.460	2.866	1	0	biogenic,in-vitro	GFAFMO
O=C1OCC(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)=C1c1ccccc1	ZINC000052538799	222006403	/nfs/dbraw/zinc/00/64/03/222006403.db2.gz	BKVUTIBFSDLXMN-UHFFFAOYSA-N	1	1	389.455	2.977	1	0		GFAFMO
COc1ccccc1C(=O)NC[C@@]1([NH+]2CCN(C)CC2)CCc2ccccc2C1	ZINC000072179738	222216528	/nfs/dbraw/zinc/21/65/28/222216528.db2.gz	DXJDRYFGOJIXGT-XMMPIXPASA-N	1	1	393.531	2.600	1	0		GFAFMO
CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)cc1	ZINC000169301298	222531677	/nfs/dbraw/zinc/53/16/77/222531677.db2.gz	DHUOTSJELWOUBC-ZLGUVYLKSA-N	1	1	384.524	2.699	1	0		GFAFMO
C[N@H+]1CC[C@H](c2c(=O)cc(O)c3c(O)cc(SC(C)(C)C)oc2-3)[C@@H](O)C1	ZINC000014945069	221319742	/nfs/dbraw/zinc/31/97/42/221319742.db2.gz	IUCLAKBWNSRBAI-HZMBPMFUSA-N	1	1	379.478	2.875	1	0		GFAFMO
COC1=Nc2ccccc2C2=N[C@@H](C[NH+]3CCN(c4ccccc4)CC3)CN21	ZINC000100740225	136189333	/nfs/dbraw/zinc/18/93/33/136189333.db2.gz	AQFNDEWRDMRIMD-KRWDZBQOSA-N	1	1	375.476	2.587	1	0		GFAFMO
CC(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1	ZINC000049784709	222003421	/nfs/dbraw/zinc/00/34/21/222003421.db2.gz	TUWONPCQQPXZAL-BDTNDASRSA-N	1	1	383.536	2.834	1	0		GFAFMO
Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c1nc[nH+]c2N	ZINC000096285840	222409109	/nfs/dbraw/zinc/40/91/09/222409109.db2.gz	SKNNYROPGOOGGW-UHFFFAOYSA-N	1	1	384.443	2.744	1	0		GFAFMO
Cn1nnnc1-c1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccccc1S2	ZINC000064549003	222074210	/nfs/dbraw/zinc/07/42/10/222074210.db2.gz	NHCPMAKOQMYGRA-GOSISDBHSA-N	1	1	392.532	2.873	1	0		GFAFMO
C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1nc2c3cc(Br)ccc3oc2c(=O)[nH]1	ZINC000084713478	222320658	/nfs/dbraw/zinc/32/06/58/222320658.db2.gz	UQQRRLPBVIAHKF-QWRGUYRKSA-N	1	1	389.253	2.732	1	0		GFAFMO
CC[C@H]1C[N@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C=C(\OC)C(=O)OC	ZINC000085509962	291120099	/nfs/dbraw/zinc/12/00/99/291120099.db2.gz	CHASADHUGZYMJT-LJMJVRINSA-N	1	1	384.476	2.700	1	0	biogenic,in-vitro	GFAFMO
C[N@H+]1CC[C@@H](c2c(=O)cc(O)c3c(O)cc(SC(C)(C)C)oc2-3)[C@@H](O)C1	ZINC000014945067	221318870	/nfs/dbraw/zinc/31/88/70/221318870.db2.gz	IUCLAKBWNSRBAI-YGRLFVJLSA-N	1	1	379.478	2.875	1	0		GFAFMO
O=C(c1cnccn1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000061969738	136156252	/nfs/dbraw/zinc/15/62/52/136156252.db2.gz	UAEOCHHAUUYWLP-GOSISDBHSA-N	1	1	385.899	2.557	3	0		GFAFMO
C[NH+]1CC2(C1)CNC(=O)c1c3c([nH]c12)-c1cc(-c2cccc(F)c2)ncc1CC3	ZINC000072107728	222206289	/nfs/dbraw/zinc/20/62/89/222206289.db2.gz	WJYYYNSFUNMPRF-UHFFFAOYSA-N	1	1	388.446	2.908	1	0		GFAFMO
c1ccc2c(c1)CC(Nc1cc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2	ZINC000045301048	581092395	/nfs/dbraw/zinc/09/23/95/581092395.db2.gz	AMAAYJNDYUIOGC-UHFFFAOYSA-N	1	1	387.491	2.604	1	0		GFAFMO
CC[C@H]1C[N@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1/C(=C\OC)C(=O)OC	ZINC000085643660	291120118	/nfs/dbraw/zinc/12/01/18/291120118.db2.gz	DAXYUDFNWXHGBE-QSHLLEFGSA-N	1	1	384.476	2.700	1	0	biogenic,in-vitro	GFAFMO
COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cscn3)C2)CC1	ZINC000061969849	537071319	/nfs/dbraw/zinc/07/13/19/537071319.db2.gz	JWAMHIZLWHNYJS-INIZCTEOSA-N	1	1	386.521	2.579	3	0		GFAFMO
CNC(=O)C[N@@H+]1CCC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1	ZINC000028896496	204883356	/nfs/dbraw/zinc/88/33/56/204883356.db2.gz	JMOMBPSAYLGZAN-ZDUSSCGKSA-N	1	1	398.898	2.901	1	0		GFAFMO
CNC(=O)C[N@H+]1CCC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1	ZINC000028896496	204883357	/nfs/dbraw/zinc/88/33/57/204883357.db2.gz	JMOMBPSAYLGZAN-ZDUSSCGKSA-N	1	1	398.898	2.901	1	0		GFAFMO
CO[C@](C)(C(C)C)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)CC[NH2+]1	ZINC000095583450	136182294	/nfs/dbraw/zinc/18/22/94/136182294.db2.gz	PXRPXQKBRGMQJJ-HRAATJIYSA-N	1	1	398.486	2.998	1	0		GFAFMO
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5ccc(F)cc5[nH]c4=O)[nH]c3c2)CC1	ZINC000038238950	205035831	/nfs/dbraw/zinc/03/58/31/205035831.db2.gz	KTZAHPAGCSCZTG-UHFFFAOYSA-N	1	1	392.438	2.545	1	0		GFAFMO
CCC(=O)O[C@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC(=O)CC)OCO5	ZINC000040410245	205064744	/nfs/dbraw/zinc/06/47/44/205064744.db2.gz	FHZQSULZQZRVBO-GUGJDKNPSA-N	1	1	399.443	2.670	1	0		GFAFMO
C[N@H+]1CCC=C([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)C1	ZINC000040429247	205065174	/nfs/dbraw/zinc/06/51/74/205065174.db2.gz	BWQTYVMVAMFHSY-OAHLLOKOSA-N	1	1	391.320	2.645	1	0		GFAFMO
CNc1c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)[nH]c2ncc1Br	ZINC000084602254	205395546	/nfs/dbraw/zinc/39/55/46/205395546.db2.gz	MERPPDGMBNDZGS-UHFFFAOYSA-N	1	1	390.289	2.892	1	0		GFAFMO
O=C1O[C@@H](c2ccccc2)C(=O)N1CC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000103208213	136190996	/nfs/dbraw/zinc/19/09/96/136190996.db2.gz	NGKFPBYOWOUBLD-IBGZPJMESA-N	1	1	383.423	2.668	1	0		GFAFMO
O=C(Nc1cccc(F)c1)NC1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCCC1	ZINC000004981932	204100002	/nfs/dbraw/zinc/10/00/02/204100002.db2.gz	CDISWVAETGXUAI-GOSISDBHSA-N	1	1	388.487	2.957	3	0		GFAFMO
O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1occc1Br	ZINC000095577577	205501111	/nfs/dbraw/zinc/50/11/11/205501111.db2.gz	OMWGGOLZZXEWQY-JKSUJKDBSA-N	1	1	390.281	2.872	1	0		GFAFMO
C[NH+](C)[C@H]1CCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)C1	ZINC000003943236	204022200	/nfs/dbraw/zinc/02/22/00/204022200.db2.gz	LYWLFOKRWJGIJX-AWEZNQCLSA-N	1	1	388.475	2.794	1	0		GFAFMO
N=C1O[C@@H](C[NH+]2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1	ZINC000005939046	204158619	/nfs/dbraw/zinc/15/86/19/204158619.db2.gz	PWSMUIKHDKMJNC-IBGZPJMESA-N	1	1	379.464	2.676	1	0		GFAFMO
Cc1ccccc1[C@H]1CC(=O)N(CC[NH+]2CCN(c3ccccc3)CC2)C1=O	ZINC000101706341	136189950	/nfs/dbraw/zinc/18/99/50/136189950.db2.gz	FICDGEILCFQCQD-OAQYLSRUSA-N	1	1	377.488	2.660	1	0		GFAFMO
CN1c2cc(Cl)ccc2N(C(=O)C[NH+](C)C)c2ccccc2S1(=O)=O	ZINC000003803507	204020251	/nfs/dbraw/zinc/02/02/51/204020251.db2.gz	XHCVFTGLHHDOJN-UHFFFAOYSA-N	1	1	379.869	2.705	1	0		GFAFMO
C[NH+]1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(-c4ccccc4)c3n2)CC1	ZINC000004238493	204033993	/nfs/dbraw/zinc/03/39/93/204033993.db2.gz	AIFJFSSAFFWSLK-UHFFFAOYSA-N	1	1	398.470	2.595	1	0	aggregator	GFAFMO
c1ccc2c(c1)CC(Nc1cc(N3CC[NH2+]CC3)nc(Nc3ccncc3)n1)C2	ZINC000045301497	581092301	/nfs/dbraw/zinc/09/23/01/581092301.db2.gz	REBGSWBYORIRGA-UHFFFAOYSA-N	1	1	387.491	2.604	1	0		GFAFMO
COc1cc2c(cc1OC)[C@H](C[NH+]1CCN(c3ccccn3)CC1)OCCC2	ZINC000027723401	204861739	/nfs/dbraw/zinc/86/17/39/204861739.db2.gz	VOPZDENHDLGVRB-NRFANRHFSA-N	1	1	383.492	2.925	1	0		GFAFMO
CN1CC[NH+](C2(CNC(=O)c3ccccc3Cl)Cc3ccccc3C2)CC1	ZINC000072177360	205317025	/nfs/dbraw/zinc/31/70/25/205317025.db2.gz	FUFRFDSLHONUPN-UHFFFAOYSA-N	1	1	383.923	2.855	1	0		GFAFMO
CC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](C)CC[C@]513	ZINC000169347758	205830372	/nfs/dbraw/zinc/83/03/72/205830372.db2.gz	YNHIQKSBIVCIOK-AOJHCPBWSA-N	1	1	397.515	2.774	1	0		GFAFMO
N=C1O[C@@H](C[NH+]2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1	ZINC000013885605	207004424	/nfs/dbraw/zinc/00/44/24/207004424.db2.gz	DLNAGIRFNFNTOI-IBGZPJMESA-N	1	1	395.532	2.841	1	0		GFAFMO
COc1cc2c(cc1OC)C(=O)[C@H](C[NH+]1CCN(Cc3ccccc3)CC1)C2	ZINC000021288911	207228857	/nfs/dbraw/zinc/22/88/57/207228857.db2.gz	DNXZKFJJHLQENJ-IBGZPJMESA-N	1	1	380.488	2.877	1	0		GFAFMO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1cccn1C)CC2	ZINC000028100610	207334227	/nfs/dbraw/zinc/33/42/27/207334227.db2.gz	WTCJUYCGWAYPAJ-UHFFFAOYSA-N	1	1	399.535	2.534	1	0		GFAFMO
C[C@@]1(CCc2ccccc2)OC(=O)c2c1ccn(CCC[NH+]1CCOCC1)c2=O	ZINC000096909304	208328195	/nfs/dbraw/zinc/32/81/95/208328195.db2.gz	BKPVSPKFWCAIKT-QHCPKHFHSA-N	1	1	396.487	2.589	1	0		GFAFMO
OCCNC1=C[C@H]([NH2+]C2CCCCC2)c2c3c1noc3c1ccccc1c2O	ZINC000101414606	208393191	/nfs/dbraw/zinc/39/31/91/208393191.db2.gz	WZYDCGZTCKJLKJ-FUHWJXTLSA-N	1	1	379.460	2.849	1	0		GFAFMO
CC(C)C(O)=C1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@@H](O5)C1=O	ZINC000028104609	207334209	/nfs/dbraw/zinc/33/42/09/207334209.db2.gz	WXJKTTVGVITSOL-XWGGYKFUSA-N	1	1	395.499	2.862	1	0		GFAFMO
CC(C)C(=O)C1=C(O)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[C@@H](C1)[C@]42CC[N@@H+]3CC1CC1	ZINC000028104609	207334212	/nfs/dbraw/zinc/33/42/12/207334212.db2.gz	WXJKTTVGVITSOL-XWGGYKFUSA-N	1	1	395.499	2.862	1	0		GFAFMO
CC(C)C(=O)C1=C(O)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[C@@H](C1)[C@]42CC[N@H+]3CC1CC1	ZINC000028104609	207334216	/nfs/dbraw/zinc/33/42/16/207334216.db2.gz	WXJKTTVGVITSOL-XWGGYKFUSA-N	1	1	395.499	2.862	1	0		GFAFMO
CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc21	ZINC000028891902	207350489	/nfs/dbraw/zinc/35/04/89/207350489.db2.gz	OKVHTTCXTTYJSU-OALUTQOASA-N	1	1	390.549	2.990	1	0		GFAFMO
COc1ccc2c(c1)[nH]c1c2[C@H](O)[C@]2(O)C[N@H+]3CCC[C@H]3CN2[C@@H]1C=C(C)C	ZINC000096902992	208327200	/nfs/dbraw/zinc/32/72/00/208327200.db2.gz	YZJBCQWDGRNRAY-UPOGBMBOSA-N	1	1	383.492	2.699	1	0		GFAFMO
Cc1ccc(N2CC[NH+](CCN3C(=O)O[C@@H](c4ccccc4)C3=O)CC2)cc1	ZINC000103210057	136190891	/nfs/dbraw/zinc/19/08/91/136190891.db2.gz	KSRCSTJDFPHVKU-FQEVSTJZSA-N	1	1	379.460	2.837	1	0		GFAFMO
Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1	ZINC000022458168	207253617	/nfs/dbraw/zinc/25/36/17/207253617.db2.gz	ISMOUKGBNGPKBE-QFBILLFUSA-N	1	1	393.578	2.712	3	0		GFAFMO
CO[C@]12C=C[C@@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CC[N@H+]1C)[C@@H]2O5	ZINC000029208891	207359054	/nfs/dbraw/zinc/35/90/54/207359054.db2.gz	VAGUZCYSBGOWIA-RIGSFYRDSA-N	1	1	395.499	2.528	1	0		GFAFMO
Cc1ccc(C(=O)NCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1	ZINC000058548392	207779755	/nfs/dbraw/zinc/77/97/55/207779755.db2.gz	MGJVXHJJLUSUHL-UHFFFAOYSA-N	1	1	378.476	2.705	3	0		GFAFMO
COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(N2CC[NH+](C)CC2)n1	ZINC000169312506	136197205	/nfs/dbraw/zinc/19/72/05/136197205.db2.gz	CCGKETUGLKHYOH-UHFFFAOYSA-N	1	1	394.483	2.756	1	0		GFAFMO
CO[C@@H](CO)C[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	ZINC000013861684	207003359	/nfs/dbraw/zinc/00/33/59/207003359.db2.gz	VEFWIPJNZIESHB-MRXNPFEDSA-N	1	1	383.517	2.854	1	0		GFAFMO
OCCN1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1	ZINC000026660386	207318311	/nfs/dbraw/zinc/31/83/11/207318311.db2.gz	YZIDTWIJPIHTCE-AGILITTLSA-N	1	1	378.516	2.815	1	0		GFAFMO
OCC[NH+]1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1	ZINC000026660386	207318315	/nfs/dbraw/zinc/31/83/15/207318315.db2.gz	YZIDTWIJPIHTCE-AGILITTLSA-N	1	1	378.516	2.815	1	0		GFAFMO
O=c1[nH]c2cc(F)ccc2n1C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1	ZINC000027894968	207331976	/nfs/dbraw/zinc/33/19/76/207331976.db2.gz	LTZMJMTZHDBZET-INIZCTEOSA-N	1	1	383.423	2.946	1	0		GFAFMO
CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc21	ZINC000028892067	207351299	/nfs/dbraw/zinc/35/12/99/207351299.db2.gz	LRAZVNRECMJRGW-ICSRJNTNSA-N	1	1	390.549	2.990	1	0		GFAFMO
CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)CC1	ZINC000020138943	207178477	/nfs/dbraw/zinc/17/84/77/207178477.db2.gz	UUHGVIRYFOYJIC-YADHBBJMSA-N	1	1	389.499	2.688	1	0		GFAFMO
CCOC(=O)C1=C(O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1	ZINC000028109278	207334711	/nfs/dbraw/zinc/33/47/11/207334711.db2.gz	NGDXDQSSXJGFDM-RKCFAAOBSA-N	1	1	383.488	2.829	1	0		GFAFMO
OCCNC1=C[C@@H]([NH2+]C2CCCCC2)c2c3c1noc3c1ccccc1c2O	ZINC000101414603	208392560	/nfs/dbraw/zinc/39/25/60/208392560.db2.gz	WZYDCGZTCKJLKJ-AEFFLSMTSA-N	1	1	379.460	2.849	1	0		GFAFMO
O=c1ccc(-c2ccccc2)nn1CC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000098085569	136188891	/nfs/dbraw/zinc/18/88/91/136188891.db2.gz	FJJGCUVHMGQGNW-UHFFFAOYSA-N	1	1	378.451	2.872	1	0		GFAFMO
NC(=O)c1ccc2c(c1)[nH]nc2-c1cc2cc(C[NH+]3CCOCC3)ccc2[nH]1	ZINC000014949232	207033738	/nfs/dbraw/zinc/03/37/38/207033738.db2.gz	SVPVCRMOALGQKQ-UHFFFAOYSA-N	1	1	375.432	2.642	1	0		GFAFMO
OC[C@@H](O)CN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1	ZINC000028011515	207333257	/nfs/dbraw/zinc/33/32/57/207333257.db2.gz	GCSNYHBLOFJHDQ-RCZSKKKRSA-N	1	1	388.458	2.512	1	0		GFAFMO
OC[C@@H](O)C[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1	ZINC000028011515	207333263	/nfs/dbraw/zinc/33/32/63/207333263.db2.gz	GCSNYHBLOFJHDQ-RCZSKKKRSA-N	1	1	388.458	2.512	1	0		GFAFMO
CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1	ZINC000095576585	208234738	/nfs/dbraw/zinc/23/47/38/208234738.db2.gz	XDHQVHVOFHWRNB-SFHVURJKSA-N	1	1	380.496	2.949	1	0	in-vitro	GFAFMO
CCC[N@@H+](CCN1CCN(c2ncccn2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000064415648	136156653	/nfs/dbraw/zinc/15/66/53/136156653.db2.gz	QPFPLXIMWCZMQV-OAQYLSRUSA-N	1	1	395.551	2.574	1	0		GFAFMO
COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@@]42C=C[C@]1(OC)[C@@H](C(C)=O)C2	ZINC000001639232	206388606	/nfs/dbraw/zinc/38/86/06/206388606.db2.gz	DGSADVAMZWFCMP-TUWUHUFZSA-N	1	1	381.472	2.505	1	0		GFAFMO
CN1c2ccccc2C2=NC[C@H](C[NH+]3CCN(c4ccccc4)CC3)N2C1=O	ZINC000013832339	207003081	/nfs/dbraw/zinc/00/30/81/207003081.db2.gz	DDBDQJLGWORGPW-GOSISDBHSA-N	1	1	375.476	2.509	1	0		GFAFMO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1cccnc1)CC2	ZINC000028090715	207334727	/nfs/dbraw/zinc/33/47/27/207334727.db2.gz	KMJUSLJSIQPVPU-UHFFFAOYSA-N	1	1	397.519	2.591	1	0		GFAFMO
CCCC[C@]1(CO)C[C@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N@H+]3C)[C@@H](O5)[C@@H]1O	ZINC000025998254	207309269	/nfs/dbraw/zinc/30/92/69/207309269.db2.gz	FUENFDZJVVFQJQ-YPHURBNOSA-N	1	1	387.520	2.504	1	0		GFAFMO
CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc21	ZINC000028891865	207352082	/nfs/dbraw/zinc/35/20/82/207352082.db2.gz	DCEXLYUJIXLNHO-PXNSSMCTSA-N	1	1	390.549	2.990	1	0		GFAFMO
CN1CC[NH+](CCCN2c3ccccc3O[C@@H](Cc3ccccc3)C2=O)CC1	ZINC000169324426	136197162	/nfs/dbraw/zinc/19/71/62/136197162.db2.gz	QHSJDHSSQHQEGN-QFIPXVFZSA-N	1	1	379.504	2.661	1	0		GFAFMO
O=C(NCCC[NH+]1CCOCC1)c1cn(Cc2ccccc2)c2ncccc12	ZINC000072323262	222225620	/nfs/dbraw/zinc/22/56/20/222225620.db2.gz	WCXKWMRTZIJFGN-UHFFFAOYSA-N	1	1	378.476	2.537	2	0		GFAFMO
COc1c(C)c[nH+]c(Cn2cc(CCCO)c3c2nc(N)nc3Cl)c1C	ZINC000095564242	211276892	/nfs/dbraw/zinc/27/68/92/211276892.db2.gz	OXMHCARRTDCOFP-UHFFFAOYSA-N	1	1	375.860	2.661	1	0		GFAFMO
COC[C@H](CO)[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1	ZINC000013861687	210096321	/nfs/dbraw/zinc/09/63/21/210096321.db2.gz	LXKHZIVVODUPIX-INIZCTEOSA-N	1	1	383.517	2.854	1	0		GFAFMO
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc(O)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000014719380	209193425	/nfs/dbraw/zinc/19/34/25/209193425.db2.gz	QRYQVCQRVMGDEO-FKBYEOEOSA-N	1	1	382.460	2.935	1	0	in-vitro	GFAFMO
CCOC(=O)C[C@@]12C=C[C@@H](OC(C)=O)[C@H]3c4cc5c(cc4C[N@H+](CC1)[C@@H]32)OCO5	ZINC000073388726	211127353	/nfs/dbraw/zinc/12/73/53/211127353.db2.gz	MOJLTGVFSIJGFJ-ZINXYGQCSA-N	1	1	399.443	2.528	1	0		GFAFMO
COc1ccccc1N1CC[NH+](Cc2cn3c([nH]2)c2ccccc2nc3=O)CC1	ZINC000100807409	136189246	/nfs/dbraw/zinc/18/92/46/136189246.db2.gz	LXZGNBVSBAMFGA-UHFFFAOYSA-N	1	1	389.459	2.919	1	0		GFAFMO
C[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1	ZINC000015779384	210168882	/nfs/dbraw/zinc/16/88/82/210168882.db2.gz	HEGCVQQTYDPQJG-UHFFFAOYSA-N	1	1	375.879	2.579	1	0		GFAFMO
O=Cc1ccccc1-c1cccn([C@@H](C[N@@H+]2CC[C@@H](O)C2)c2ccccc2)c1=O	ZINC000013488487	210063450	/nfs/dbraw/zinc/06/34/50/210063450.db2.gz	RCERLLBHZQVWIV-OFNKIYASSA-N	1	1	388.467	2.984	1	0		GFAFMO
C[NH+]1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C4CC4)c3n2)CC1	ZINC000004238517	209473343	/nfs/dbraw/zinc/47/33/43/209473343.db2.gz	LTRPLLCODTZIDB-UHFFFAOYSA-N	1	1	396.882	2.594	1	0		GFAFMO
CCC[N@@H+](CCN1CCN(c2ncccn2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000064415649	136156691	/nfs/dbraw/zinc/15/66/91/136156691.db2.gz	QPFPLXIMWCZMQV-NRFANRHFSA-N	1	1	395.551	2.574	1	0		GFAFMO
Cc1ccc(N2CC[NH+](CCN3C(=O)O[C@H](c4ccccc4)C3=O)CC2)cc1	ZINC000103210059	136190949	/nfs/dbraw/zinc/19/09/49/136190949.db2.gz	KSRCSTJDFPHVKU-HXUWFJFHSA-N	1	1	379.460	2.837	1	0		GFAFMO
C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1	ZINC000045385475	581098833	/nfs/dbraw/zinc/09/88/33/581098833.db2.gz	CBTWKVIWLYXVTA-GOSISDBHSA-N	1	1	377.448	2.547	1	0		GFAFMO
C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1	ZINC000045385475	581098834	/nfs/dbraw/zinc/09/88/34/581098834.db2.gz	CBTWKVIWLYXVTA-GOSISDBHSA-N	1	1	377.448	2.547	1	0		GFAFMO
Nc1cccc(-c2cccn([C@H](C[N@H+]3CC[C@@H](O)C3)c3ccccc3)c2=O)c1	ZINC000013488464	210063197	/nfs/dbraw/zinc/06/31/97/210063197.db2.gz	ZHNRRDSELDXVDH-IFMALSPDSA-N	1	1	375.472	2.754	1	0		GFAFMO
CC[C@@H]1C[N@H+]2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24	ZINC000013310435	209193065	/nfs/dbraw/zinc/19/30/65/209193065.db2.gz	SISNJMQUMOSGQC-PEYHYLNSSA-N	1	1	376.456	2.825	1	0		GFAFMO
C[N@H+]1CC[C@]23Cc4[nH]c5cc(=O)ccc-5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13	ZINC000095558692	211277596	/nfs/dbraw/zinc/27/75/96/211277596.db2.gz	YLPGZTHHQFAOAG-WXFUMESZSA-N	1	1	388.467	2.674	1	0		GFAFMO
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2CC=C[C@@]([C@@H](C)OC(C)=O)(C1)[C@H]23	ZINC000084615180	211171053	/nfs/dbraw/zinc/17/10/53/211171053.db2.gz	YBXUUELSZBVEKX-HZTRNQAASA-N	1	1	394.471	2.763	1	0		GFAFMO
COc1ccccc1C(=O)NC[C@]1([NH+]2CCN(C)CC2)CCc2ccccc2C1	ZINC000072179739	211082194	/nfs/dbraw/zinc/08/21/94/211082194.db2.gz	DXJDRYFGOJIXGT-DEOSSOPVSA-N	1	1	393.531	2.600	1	0		GFAFMO
O=C1O[C@H](c2ccccc2)C(=O)N1CC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000103208209	136190921	/nfs/dbraw/zinc/19/09/21/136190921.db2.gz	NGKFPBYOWOUBLD-LJQANCHMSA-N	1	1	383.423	2.668	1	0		GFAFMO
O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)C[NH2+][C@@H](CF)C2	ZINC000013581935	210069291	/nfs/dbraw/zinc/06/92/91/210069291.db2.gz	LHAKXFHKVJOKTQ-XAPRQVHKSA-N	1	1	378.513	2.918	1	0		GFAFMO
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@@H]21	ZINC000005640664	209191025	/nfs/dbraw/zinc/19/10/25/209191025.db2.gz	WMMZYEBFJWWUJX-IFBQROQASA-N	1	1	384.476	2.656	1	0		GFAFMO
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@@H]21	ZINC000005640664	209191027	/nfs/dbraw/zinc/19/10/27/209191027.db2.gz	WMMZYEBFJWWUJX-IFBQROQASA-N	1	1	384.476	2.656	1	0		GFAFMO
CN1CCN2c3c(cccc31)[C@@H]1C[N@H+](CCNC(=O)c3ccc(F)cc3)CC[C@@H]12	ZINC000169309777	136197196	/nfs/dbraw/zinc/19/71/96/136197196.db2.gz	LYOXRYZFGVMNBM-PMACEKPBSA-N	1	1	394.494	2.683	1	0		GFAFMO
CC[C@H](C)n1ncn([C@@H]2CCC=C[C@H]2[NH+]2CCN(c3ccc(O)cc3)CC2)c1=O	ZINC000306122555	212043527	/nfs/dbraw/zinc/04/35/27/212043527.db2.gz	WFUNCVLJDFLECA-IOMROCGXSA-N	1	1	397.523	2.803	2	0		GFAFMO
O=c1[nH]c2cc(F)ccc2n1C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1	ZINC000027894961	210519579	/nfs/dbraw/zinc/51/95/79/210519579.db2.gz	LTZMJMTZHDBZET-MRXNPFEDSA-N	1	1	383.423	2.946	1	0		GFAFMO
CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)CC1	ZINC000020138934	210318206	/nfs/dbraw/zinc/31/82/06/210318206.db2.gz	UUHGVIRYFOYJIC-FCHUYYIVSA-N	1	1	389.499	2.688	1	0		GFAFMO
Cc1cc(C)n(-c2cc(NC(=O)C[NH+]3CCCC3)nc(-c3ccc(C)o3)n2)n1	ZINC000014975557	210139514	/nfs/dbraw/zinc/13/95/14/210139514.db2.gz	ICWUXDJBFYYDHU-UHFFFAOYSA-N	1	1	380.452	2.882	1	0		GFAFMO
COc1cc2[nH+]c(N3CCC(OCC(C)(C)OC)CC3)nc(N)c2cc1OC	ZINC000095588094	136182364	/nfs/dbraw/zinc/18/23/64/136182364.db2.gz	GRVJSGJEIBQZHY-UHFFFAOYSA-N	1	1	390.484	2.640	1	0		GFAFMO
CC[C@H]1C[N@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1/C(=C/OC)C(=O)OC	ZINC000222359251	212115225	/nfs/dbraw/zinc/11/52/25/212115225.db2.gz	DAXYUDFNWXHGBE-YYLXQIFPSA-N	1	1	384.476	2.700	1	0		GFAFMO
Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(N)=[NH2+])cc2)c1	ZINC000013444426	221268042	/nfs/dbraw/zinc/26/80/42/221268042.db2.gz	JECHDKUWRBFZLB-UHFFFAOYSA-N	1	1	395.200	2.842	1	0		GFAFMO
CCOC(=O)N1CCC([N@@H+]2C[C@H]3CN(C(=O)c4ccccc4C)C[C@H]3C2)CC1	ZINC000073162038	222266628	/nfs/dbraw/zinc/26/66/28/222266628.db2.gz	AEEXMFJFLATESA-HDICACEKSA-N	1	1	385.508	2.620	1	0		GFAFMO
c1cc2c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc3cccnc3n2c1	ZINC000001540240	212249409	/nfs/dbraw/zinc/24/94/09/212249409.db2.gz	AZJGEHAZLNOBGW-UHFFFAOYSA-N	1	1	387.443	2.933	1	0		GFAFMO
Cc1cc(NC(=O)N2CCN(C)CC2)ccc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1	ZINC000059260770	222055507	/nfs/dbraw/zinc/05/55/07/222055507.db2.gz	XIGBTIXFXCZLOP-AZUAARDMSA-N	1	1	385.556	2.837	1	0		GFAFMO
C[N@H+]1CCCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1	ZINC000167766475	222531257	/nfs/dbraw/zinc/53/12/57/222531257.db2.gz	PGNIUXGQLVHGHX-HXUWFJFHSA-N	1	1	380.471	2.587	1	0		GFAFMO
O=C(Nc1cc(C[NH+]2CCCC2)[nH]n1)Nc1cccc2c1[C@H]1CCCN1C2=O	ZINC000012355052	221184078	/nfs/dbraw/zinc/18/40/78/221184078.db2.gz	ZCRJVXDJCMBFCS-MRXNPFEDSA-N	1	1	380.452	2.940	1	0		GFAFMO
Cn1c2ccccc2c2c1C(=O)N(CC[NH+]1CCN(c3ccccc3)CC1)CC2	ZINC000073242318	136171526	/nfs/dbraw/zinc/17/15/26/136171526.db2.gz	BTPVVTGVKFFPPJ-UHFFFAOYSA-N	1	1	388.515	2.999	1	0		GFAFMO
C[N@@H+](CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)CCc1ccccc1	ZINC000028525963	221678053	/nfs/dbraw/zinc/67/80/53/221678053.db2.gz	OPVCQQIBZYSXFB-NRFANRHFSA-N	1	1	377.488	2.940	1	0		GFAFMO
CCn1ccnc1[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCC[N@H+]13	ZINC000012316596	221181742	/nfs/dbraw/zinc/18/17/42/221181742.db2.gz	WZWVEMIXYYNROS-SPEDKVCISA-N	1	1	380.492	2.850	3	0		GFAFMO
CCn1ccnc1[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCC[N@@H+]13	ZINC000012316596	221181745	/nfs/dbraw/zinc/18/17/45/221181745.db2.gz	WZWVEMIXYYNROS-SPEDKVCISA-N	1	1	380.492	2.850	3	0		GFAFMO
Cn1nnc(-c2ccc3c(c2)[C@H](N2CC[NH+](C)CC2)Cc2ccccc2S3)n1	ZINC000064548960	222073948	/nfs/dbraw/zinc/07/39/48/222073948.db2.gz	VYGJNGJRTPHPPA-GOSISDBHSA-N	1	1	392.532	2.873	1	0		GFAFMO
COc1cc2c(c(OC)c1)C(=O)C(CN1CCCCC1)(C[NH+]1CCCCC1)O2	ZINC000053276442	222009828	/nfs/dbraw/zinc/00/98/28/222009828.db2.gz	AMNUFWKDOWVXMD-UHFFFAOYSA-N	1	1	388.508	2.990	1	0		GFAFMO
O=C(Nc1ccccc1)N1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)OC1=O	ZINC000067924044	222166856	/nfs/dbraw/zinc/16/68/56/222166856.db2.gz	XFOSCSDXUYQABM-LJQANCHMSA-N	1	1	380.448	2.862	1	0		GFAFMO
C[N@H+]1CC[C@]23Cc4nc5cccc(O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13	ZINC000095559632	222355463	/nfs/dbraw/zinc/35/54/63/222355463.db2.gz	MOPHMVVEDCHXCA-WXFUMESZSA-N	1	1	388.467	2.674	1	0		GFAFMO
COC1=Nc2ccccc2C2=N[C@H](C[NH+]3CCN(c4ccccc4)CC3)CN21	ZINC000100740221	136189306	/nfs/dbraw/zinc/18/93/06/136189306.db2.gz	AQFNDEWRDMRIMD-QGZVFWFLSA-N	1	1	375.476	2.587	1	0		GFAFMO
COCCOc1cc(C)c2nc3n[nH]c(C)c3c(C[N@H+]3CCCOCC3)c2c1	ZINC000073164334	222267625	/nfs/dbraw/zinc/26/76/25/222267625.db2.gz	LTIBUVNAKXWUAU-UHFFFAOYSA-N	1	1	384.480	2.975	1	0		GFAFMO