smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncccc1OC[C@H]1CCC[N@@H+]1C	ZINC000013605354	180227822	/nfs/dbraw/zinc/22/78/22/180227822.db2.gz	RJVWDVTXZQWCCU-LLVKDONJSA-N	1	1	206.289	1.863	1	0		BDAFMO
Cc1[nH+]cn2c1ccnc2Nc1cc[nH]n1	ZINC000029417284	180289047	/nfs/dbraw/zinc/28/90/47/180289047.db2.gz	UMEAMTKMKOZUNC-UHFFFAOYSA-N	1	1	214.232	1.504	1	0		BDAFMO
CC[N@H+]1CCO[C@@H]2Cc3c(O)cccc3C[C@H]21	ZINC000103224153	170004437	/nfs/dbraw/zinc/00/44/37/170004437.db2.gz	PMWUJURPEGHBKV-TZMCWYRMSA-N	1	1	233.311	1.580	1	0		BDAFMO
C[N@H+]1CCC[C@@H]1[C@H]1COc2ccccc2O1	ZINC000036079897	173037529	/nfs/dbraw/zinc/03/75/29/173037529.db2.gz	UCVNDHGGPNSSQH-ZWNOBZJWSA-N	1	1	219.284	1.921	1	0		BDAFMO
C[N@H+]1CCC[C@@]2(CC(Br)=NO2)C1	ZINC000073196778	173038502	/nfs/dbraw/zinc/03/85/02/173038502.db2.gz	BLNCHHXJKCNURH-MRVPVSSYSA-N	1	1	233.109	1.580	1	0		BDAFMO
C[N@H+]1C[C@H]2ON=C(Cc3ccccc3)[C@@H]2C1	ZINC000073162906	173199768	/nfs/dbraw/zinc/19/97/68/173199768.db2.gz	ZECZRVNWNGEBDL-WCQYABFASA-N	1	1	216.284	1.546	1	0		BDAFMO
C[N@H+]1C[C@H]2C[C@@H]1CN2c1ccc(Cl)nc1	ZINC000028708876	173200547	/nfs/dbraw/zinc/20/05/47/173200547.db2.gz	XJLJVFDYHOFEDC-NXEZZACHSA-N	1	1	223.707	1.628	1	0		BDAFMO
O=C1CC=C[C@@H]2[C@H]3CCC[N@H+]4CCC[C@H](CN12)[C@H]34	ZINC000059589124	560082463	/nfs/dbraw/zinc/08/24/63/560082463.db2.gz	WUVYENIUARJBNM-RGCMKSIDSA-N	1	1	246.354	1.648	1	0	biogenic,in-vitro	BDAFMO
CC(=O)Nc1ccc(OC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000072120561	187276242	/nfs/dbraw/zinc/27/62/42/187276242.db2.gz	LEISLHMYKBLTBJ-LBPRGKRZSA-N	1	1	248.282	1.302	1	0		BDAFMO
Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C	ZINC000013605353	180228474	/nfs/dbraw/zinc/22/84/74/180228474.db2.gz	RJVWDVTXZQWCCU-NSHDSACASA-N	1	1	206.289	1.863	1	0		BDAFMO
CCC[N@H+]1C[C@@H](CO)C[C@@H]2Cc3c[nH]cc3C[C@H]21	ZINC000058640830	169210557	/nfs/dbraw/zinc/21/05/57/169210557.db2.gz	DWPJTKDZJDLEJR-YWPYICTPSA-N	1	1	248.370	1.822	1	0		BDAFMO
CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(C)=O)C2	ZINC000004373207	169211965	/nfs/dbraw/zinc/21/19/65/169211965.db2.gz	WDXOJGJVQBBQHL-YHWZYXNKSA-N	1	1	224.348	1.918	1	0		BDAFMO
CN(C)C(=O)OC1=C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000031905013	172382912	/nfs/dbraw/zinc/38/29/12/172382912.db2.gz	RTYZIDURQOZQMO-BDAKNGLRSA-N	1	1	210.277	1.435	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1cccnc1)C2	ZINC000100075367	173205772	/nfs/dbraw/zinc/20/57/72/173205772.db2.gz	NHFDVEVAKLYKKT-ITGUQSILSA-N	1	1	246.310	1.864	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cnccn1)C2	ZINC000013519509	173207022	/nfs/dbraw/zinc/20/70/22/173207022.db2.gz	UVPUUFGCLUUBLK-WDEREUQCSA-N	1	1	218.304	1.150	1	0		BDAFMO
CC(=O)O[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000103277159	187291797	/nfs/dbraw/zinc/29/17/97/187291797.db2.gz	JAKGGEPYIBFOKO-NEPJUHHUSA-N	1	1	227.304	1.193	1	0		BDAFMO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+]2CCC[C@@H]12	ZINC000000265577	183002772	/nfs/dbraw/zinc/00/27/72/183002772.db2.gz	BQLVLWNCTINETI-SRVKXCTJSA-N	1	1	230.311	1.430	1	0		BDAFMO
CCc1[nH+]cn2c1ccnc2Nc1cc[nH]n1	ZINC000029409033	172029311	/nfs/dbraw/zinc/02/93/11/172029311.db2.gz	CDTPIQGRBXDXRG-UHFFFAOYSA-N	1	1	228.259	1.758	1	0		BDAFMO
CN1CC[NH+](C[C@H]2Cc3ccccc3C2=O)CC1	ZINC000022924893	173084916	/nfs/dbraw/zinc/08/49/16/173084916.db2.gz	SEXWEUPATCACQF-CYBMUJFWSA-N	1	1	244.338	1.289	1	0		BDAFMO
C[N@H+]1CC[C@@H]2c3cc(O)ccc3C[C@H]1[C@H]2CO	ZINC000169346419	173136275	/nfs/dbraw/zinc/13/62/75/173136275.db2.gz	HHNJPTDAJSZISA-XBFCOCLRSA-N	1	1	233.311	1.345	1	0		BDAFMO
C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(O)c1ccccc1	ZINC000013494198	173187899	/nfs/dbraw/zinc/18/78/99/173187899.db2.gz	BEWGTHOWZXPDEG-PBWFPOADSA-N	1	1	217.312	1.846	1	0		BDAFMO
C[N@H+]1C[C@@H]2ON=C(Cc3ccccc3)[C@@H]2C1	ZINC000169356878	173198755	/nfs/dbraw/zinc/19/87/55/173198755.db2.gz	ZECZRVNWNGEBDL-AAEUAGOBSA-N	1	1	216.284	1.546	1	0		BDAFMO
COc1ccc(C2=NO[C@H]3C[N@@H+](C)C[C@@H]23)cc1	ZINC000169358343	175085645	/nfs/dbraw/zinc/08/56/45/175085645.db2.gz	QSEQTQWKHYQGKG-NEPJUHHUSA-N	1	1	232.283	1.360	1	0		BDAFMO
COc1ccc(C2=NO[C@H]3C[N@@H+](C)C[C@H]23)cc1	ZINC000195503659	175085676	/nfs/dbraw/zinc/08/56/76/175085676.db2.gz	QSEQTQWKHYQGKG-RYUDHWBXSA-N	1	1	232.283	1.360	1	0		BDAFMO
COc1cccc(NC2=[NH+]C(C)(C)NC(=N)N2)c1	ZINC000000203671	175278169	/nfs/dbraw/zinc/27/81/69/175278169.db2.gz	WQEGJAXFVWYZJH-UHFFFAOYSA-N	1	1	247.302	1.117	1	0		BDAFMO
C[N@H+]1CCCC[C@H]1[C@H](O)c1cccc(O)c1	ZINC000085486981	560076167	/nfs/dbraw/zinc/07/61/67/560076167.db2.gz	FVXLLERWCAMITA-QWHCGFSZSA-N	1	1	221.300	1.910	1	0	biogenic,in-vitro	BDAFMO
CCCCn1ncc(C2=CCC[N@@H+](C)C2)n1	ZINC000013739811	169039295	/nfs/dbraw/zinc/03/92/95/169039295.db2.gz	HEKVOINWLJKTDK-UHFFFAOYSA-N	1	1	220.320	1.797	1	0		BDAFMO
CCC[N@@H+]1C[C@@H]2C[C@@H](CN(C(C)=O)C2)C1	ZINC000103243617	169210306	/nfs/dbraw/zinc/21/03/06/169210306.db2.gz	YAYAXHRTFYNPLK-TXEJJXNPSA-N	1	1	210.321	1.197	1	0		BDAFMO
c1cc2nc(C3CC[NH2+]CC3)[nH]c2cn1	ZINC000100958075	183377360	/nfs/dbraw/zinc/37/73/60/183377360.db2.gz	MLLGIXNFUGXQKZ-UHFFFAOYSA-N	1	1	202.261	1.377	1	0		BDAFMO
c1cc2[nH]c(C3CC[NH2+]CC3)nc2cn1	ZINC000100958075	183377362	/nfs/dbraw/zinc/37/73/62/183377362.db2.gz	MLLGIXNFUGXQKZ-UHFFFAOYSA-N	1	1	202.261	1.377	1	0		BDAFMO
CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000238766128	135077757	/nfs/dbraw/zinc/07/77/57/135077757.db2.gz	UAINLAXRDPKCOO-URLYPYJESA-N	1	1	211.305	1.811	1	0		BDAFMO
C[N@@H+]1CCC[C@H]1c1nc2c(cccc2C(N)=O)[nH]1	ZINC000040379205	173058411	/nfs/dbraw/zinc/05/84/11/173058411.db2.gz	CZGUWBMWWWXIOR-JTQLQIEISA-N	1	1	244.298	1.429	1	0		BDAFMO
C[N@H+]1CCC[C@H]1c1nc2c(cccc2C(N)=O)[nH]1	ZINC000040379205	173058412	/nfs/dbraw/zinc/05/84/12/173058412.db2.gz	CZGUWBMWWWXIOR-JTQLQIEISA-N	1	1	244.298	1.429	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@@H]1COc2ccccc2O1	ZINC000035327994	173060411	/nfs/dbraw/zinc/06/04/11/173060411.db2.gz	UCVNDHGGPNSSQH-GWCFXTLKSA-N	1	1	219.284	1.921	1	0		BDAFMO
CC(=O)c1cncc(OC[C@@H]2CCC[N@@H+]2C)c1	ZINC000026567902	187255421	/nfs/dbraw/zinc/25/54/21/187255421.db2.gz	KWZANFNQJLETTK-LBPRGKRZSA-N	1	1	234.299	1.757	1	0		BDAFMO
C1COC(NC2C3CC4CC(C3)CC2C4)=[NH+]1	ZINC000040916906	187264577	/nfs/dbraw/zinc/26/45/77/187264577.db2.gz	CURQGMSZTYYKAM-UHFFFAOYSA-N	1	1	220.316	1.787	1	0		BDAFMO
Cc1ccc(C(=O)CC[N@H+](CCO)C(C)C)o1	ZINC000045365119	187269177	/nfs/dbraw/zinc/26/91/77/187269177.db2.gz	MEEJFPAZROKAEG-UHFFFAOYSA-N	1	1	239.315	1.864	1	0		BDAFMO
CCC[NH2+][C@H](C)c1nc2cccc(C(N)=O)c2[nH]1	ZINC000040410228	169288264	/nfs/dbraw/zinc/28/82/64/169288264.db2.gz	QRVIOJXPEZLSOL-MRVPVSSYSA-N	1	1	246.314	1.722	1	0		BDAFMO
CCNc1cncc(OC[C@@H]2CCC[N@H+]2C)c1	ZINC000026508180	170175558	/nfs/dbraw/zinc/17/55/58/170175558.db2.gz	VFJRCOBUZDBCFV-LBPRGKRZSA-N	1	1	235.331	1.986	1	0		BDAFMO
CN(C)C(=O)OC1=C[C@@H]2CC[C@H](C1)[N@H+]2C	ZINC000031905014	172381847	/nfs/dbraw/zinc/38/18/47/172381847.db2.gz	RTYZIDURQOZQMO-DTWKUNHWSA-N	1	1	210.277	1.435	1	0		BDAFMO
O=C1C=CC[C@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@H]34	ZINC000005282959	560110937	/nfs/dbraw/zinc/11/09/37/560110937.db2.gz	AAGFPTSOPGCENQ-SFDCQRBFSA-N	1	1	246.354	1.648	1	0	biogenic,in-vitro	BDAFMO
NC(=O)c1cccc2nc([C@@H]3CCCC[NH2+]3)[nH]c21	ZINC000040972430	187264014	/nfs/dbraw/zinc/26/40/14/187264014.db2.gz	QRGBDUGNPYKQHW-JTQLQIEISA-N	1	1	244.298	1.476	1	0		BDAFMO
CCC[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CC[C@@H](O)C[C@@H]21	ZINC000013813029	169211596	/nfs/dbraw/zinc/21/15/96/169211596.db2.gz	JFTCGPFMAZOKGM-USZNOCQGSA-N	1	1	241.331	1.173	1	0		BDAFMO
Cc1cccc(N2C(=[NH2+])NC(=N)NC2(C)C)c1C	ZINC000045301437	132354714	/nfs/dbraw/zinc/35/47/14/132354714.db2.gz	ADDHMQDYCGJBSA-UHFFFAOYSA-N	1	1	245.330	1.489	1	0		BDAFMO
CC(C)NC(=O)c1ccc(C[NH2+]N(C)O)cc1	ZINC000053230567	167088883	/nfs/dbraw/zinc/08/88/83/167088883.db2.gz	LFTKAEQJJYWTFF-UHFFFAOYSA-N	1	1	237.303	1.150	1	0		BDAFMO
CCOC(=O)Cc1nncc2c[nH+]cn21	ZINC000029417059	170178936	/nfs/dbraw/zinc/17/89/36/170178936.db2.gz	DYFVDKJXZATLAL-OQFOIZHKSA-N	1	1	206.205	1.017	1	0		BDAFMO
C[N@H+]1CCC[C@@H]1COc1ccc(Cl)nn1	ZINC000013652947	173032677	/nfs/dbraw/zinc/03/26/77/173032677.db2.gz	BYLJJKHKXXAFHV-MRVPVSSYSA-N	1	1	227.695	1.603	1	0		BDAFMO
C[N@@H+]1CCC[C@@H]1c1nc2c(cccc2C(N)=O)[nH]1	ZINC000040379204	173036070	/nfs/dbraw/zinc/03/60/70/173036070.db2.gz	CZGUWBMWWWXIOR-SNVBAGLBSA-N	1	1	244.298	1.429	1	0		BDAFMO
C[N@H+]1CCC[C@@H]1c1nc2c(cccc2C(N)=O)[nH]1	ZINC000040379204	173036071	/nfs/dbraw/zinc/03/60/71/173036071.db2.gz	CZGUWBMWWWXIOR-SNVBAGLBSA-N	1	1	244.298	1.429	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@H]1COc2ccc(CO)cc2O1	ZINC000073158189	173059857	/nfs/dbraw/zinc/05/98/57/173059857.db2.gz	FXOLKQHGIOVLNM-SMDDNHRTSA-N	1	1	249.310	1.413	1	0		BDAFMO
C[N@@H+]1[C@H]2C=C(c3cncnc3)C[C@@H]1CC2	ZINC000013519598	173206967	/nfs/dbraw/zinc/20/69/67/173206967.db2.gz	LCOBXTMNGOZASS-NEPJUHHUSA-N	1	1	201.273	1.727	1	0		BDAFMO
CCC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccccc1	ZINC000045302591	535496584	/nfs/dbraw/zinc/49/65/84/535496584.db2.gz	XDXYYCZGVGBEOJ-SNVBAGLBSA-N	1	1	231.303	1.262	1	0		BDAFMO
CCCCn1nnc(C2=CCC[N@@H+](C)C2)n1	ZINC000013739815	169039163	/nfs/dbraw/zinc/03/91/63/169039163.db2.gz	QCVKLQQFEXUBOZ-UHFFFAOYSA-N	1	1	221.308	1.192	1	0		BDAFMO
CCC[N@H+]1[C@@H]2C[C@@H](O)CC[C@@H]2C[C@H]1C(=O)OC	ZINC000008679973	169211825	/nfs/dbraw/zinc/21/18/25/169211825.db2.gz	JFTCGPFMAZOKGM-KXNHARMFSA-N	1	1	241.331	1.173	1	0		BDAFMO
C[N@H+]1CCCC[C@H]1CN1CCCCC1=O	ZINC000013554181	173007127	/nfs/dbraw/zinc/00/71/27/173007127.db2.gz	TYLBKAZWHNTRBP-NSHDSACASA-N	1	1	210.321	1.483	1	0		BDAFMO
C[N@H+]1CCCC[C@@H]1[C@H](O)COc1ccccc1	ZINC000026253165	173008121	/nfs/dbraw/zinc/00/81/21/173008121.db2.gz	QQNBBEGWAYXFQS-ZIAGYGMSSA-N	1	1	235.327	1.911	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@@H]1COc2ccc(CO)cc2O1	ZINC000073164033	173060125	/nfs/dbraw/zinc/06/01/25/173060125.db2.gz	FXOLKQHGIOVLNM-FZMZJTMJSA-N	1	1	249.310	1.413	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1cccnc1)C2	ZINC000100075370	173207014	/nfs/dbraw/zinc/20/70/14/173207014.db2.gz	NHFDVEVAKLYKKT-CLLJXQQHSA-N	1	1	246.310	1.864	1	0		BDAFMO
COc1ccc(CNC2=[NH+]CCO2)c(OC)c1	ZINC000103194679	175105837	/nfs/dbraw/zinc/10/58/37/175105837.db2.gz	HPGGYLKZQNPOIJ-UHFFFAOYSA-N	1	1	236.271	1.180	1	0		BDAFMO
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3CN	ZINC000028948114	175201560	/nfs/dbraw/zinc/20/15/60/175201560.db2.gz	VGUFUCJGTJBSQU-LBPRGKRZSA-N	1	1	231.299	1.322	1	0		BDAFMO
NC(=O)c1ccccc1[C@@H]1Cc2[nH+]ccn2C1	ZINC000040401873	187263066	/nfs/dbraw/zinc/26/30/66/187263066.db2.gz	RNYVEHHLLLFHRP-SECBINFHSA-N	1	1	227.267	1.322	1	0		BDAFMO
NC(=O)c1cccc2nc([C@H]3CCC[NH2+]3)[nH]c21	ZINC000040422801	187263729	/nfs/dbraw/zinc/26/37/29/187263729.db2.gz	HTZYXVMVVCKCTD-SECBINFHSA-N	1	1	230.271	1.086	1	0		BDAFMO
NC(=O)c1cccc2nc([C@H]3CCC[NH2+]C3)[nH]c21	ZINC000033963124	188111044	/nfs/dbraw/zinc/11/10/44/188111044.db2.gz	JNAJEIQVMLOVDR-QMMMGPOBSA-N	1	1	244.298	1.129	1	0		BDAFMO
NC(=[NH2+])c1ccc2nc(-c3c[nH]cn3)[nH]c2c1	ZINC000028568783	181195130	/nfs/dbraw/zinc/19/51/30/181195130.db2.gz	OADNDJUBXGSTQW-UHFFFAOYSA-N	1	1	226.243	1.237	1	0		BDAFMO
CCC[N@H+]1CCC[C@@H]2Cc3c[nH]nc3C[C@H]21	ZINC000013815768	169198996	/nfs/dbraw/zinc/19/89/96/169198996.db2.gz	UKTUNEGTQNZXEJ-ZWNOBZJWSA-N	1	1	219.332	1.999	1	0		BDAFMO
CCC[N@@H+]1CCC[C@@H]2Cc3cn[nH]c3C[C@H]21	ZINC000013815768	169198998	/nfs/dbraw/zinc/19/89/98/169198998.db2.gz	UKTUNEGTQNZXEJ-ZWNOBZJWSA-N	1	1	219.332	1.999	1	0		BDAFMO
CCC[N@H+]1CCC[C@@H]2Cc3cn[nH]c3C[C@H]21	ZINC000013815768	169198999	/nfs/dbraw/zinc/19/89/99/169198999.db2.gz	UKTUNEGTQNZXEJ-ZWNOBZJWSA-N	1	1	219.332	1.999	1	0		BDAFMO
CCC[N@@H+]1CCO[C@@H](c2ccc(O)c(N)c2)C1	ZINC000028957473	169205692	/nfs/dbraw/zinc/20/56/92/169205692.db2.gz	HZWYVVALALXEJB-CYBMUJFWSA-N	1	1	236.315	1.758	1	0		BDAFMO
CCC[N@H+]1CCO[C@@H](c2ccc(O)c(N)c2)C1	ZINC000028957473	169205695	/nfs/dbraw/zinc/20/56/95/169205695.db2.gz	HZWYVVALALXEJB-CYBMUJFWSA-N	1	1	236.315	1.758	1	0		BDAFMO
CC[N@H+]1CC[C@@]2(C1)c1cccc(C)c1NC2=O	ZINC000033824255	170023555	/nfs/dbraw/zinc/02/35/55/170023555.db2.gz	GZDBGOAVNVPJLI-CQSZACIVSA-N	1	1	230.311	1.911	1	0		BDAFMO
CN(C)C(=S)C1=CC[C@@H]2CC[C@H]1[N@H+]2C	ZINC000013519458	172393640	/nfs/dbraw/zinc/39/36/40/172393640.db2.gz	SCGFJBIGWSECTN-PSASIEDQSA-N	1	1	210.346	1.668	1	0		BDAFMO
C[N@H+]1CC[C@@]2(c3cccc(O)c3)CCC[C@@H]1[C@@H]2O	ZINC000013454258	173142229	/nfs/dbraw/zinc/14/22/29/173142229.db2.gz	CTLFZKBHJPSVMV-QLFBSQMISA-N	1	1	247.338	1.879	1	0		BDAFMO
C[N@H+]1CC[C@]2(C)c3ccccc3C[C@H]1[C@@]2(C)O	ZINC000169346400	173165717	/nfs/dbraw/zinc/16/57/17/173165717.db2.gz	SSJHPSNXHBBMES-RRFJBIMHSA-N	1	1	231.339	1.956	1	0		BDAFMO
CN1C[C@H]2CC[C@H](O)[C@@H]1C[N@H+]2Cc1ccccc1	ZINC000028712969	173197467	/nfs/dbraw/zinc/19/74/67/173197467.db2.gz	NHNVWOOBLVBHIJ-ILXRZTDVSA-N	1	1	246.354	1.326	1	0		BDAFMO
C[N@@H+]1C[C@H]2CC[C@H](O)[C@@H]1CN2Cc1ccccc1	ZINC000028712969	173197469	/nfs/dbraw/zinc/19/74/69/173197469.db2.gz	NHNVWOOBLVBHIJ-ILXRZTDVSA-N	1	1	246.354	1.326	1	0		BDAFMO
C[N@H+]1C[C@H]2CC[C@H](O)[C@@H]1CN2Cc1ccccc1	ZINC000028712969	173197474	/nfs/dbraw/zinc/19/74/74/173197474.db2.gz	NHNVWOOBLVBHIJ-ILXRZTDVSA-N	1	1	246.354	1.326	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccc[nH]1)C2	ZINC000103235776	173206445	/nfs/dbraw/zinc/20/64/45/173206445.db2.gz	USUNCFVBSYKGRI-URLYPYJESA-N	1	1	234.299	1.797	1	0		BDAFMO
COc1ccc(COc2c[nH+]c(N)nc2N)cc1	ZINC000013532417	175114005	/nfs/dbraw/zinc/11/40/05/175114005.db2.gz	UBPUPPMUXQKNQJ-UHFFFAOYSA-N	1	1	246.270	1.229	1	0		BDAFMO
NC(=O)c1cccc2nc([C@@H]3CCC[NH2+]C3)[nH]c21	ZINC000033963123	188111144	/nfs/dbraw/zinc/11/11/44/188111144.db2.gz	JNAJEIQVMLOVDR-MRVPVSSYSA-N	1	1	244.298	1.129	1	0		BDAFMO
O[C@H](/C=C/c1ccccc1)CC[NH+]1CCOCC1	ZINC000027437036	183217597	/nfs/dbraw/zinc/21/75/97/183217597.db2.gz	DUVCBFHLUUOGJL-LQYUOIDQSA-N	1	1	247.338	1.783	1	0		BDAFMO
CCOC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)[N@@H+]1C	ZINC000101551414	170320830	/nfs/dbraw/zinc/32/08/30/170320830.db2.gz	QPHONNPCPVUNGM-PEGIJTEDSA-N	1	1	224.304	1.752	1	0		BDAFMO
C[N@H+]1C[C@H]2C[C@@H]1CN2c1ccc(Cl)nn1	ZINC000027319748	173200311	/nfs/dbraw/zinc/20/03/11/173200311.db2.gz	WKMLUGOFDWMYKZ-HTQZYQBOSA-N	1	1	224.695	1.023	1	0		BDAFMO
COC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)[N@@H+]1C	ZINC000103040840	174014117	/nfs/dbraw/zinc/01/41/17/174014117.db2.gz	LKKWZGMQIQGYEB-DOFRTFSJSA-N	1	1	210.277	1.362	1	0		BDAFMO
COc1ccc(C2=NO[C@@H]3C[N@@H+](C)C[C@@H]23)cc1	ZINC000073170185	175085652	/nfs/dbraw/zinc/08/56/52/175085652.db2.gz	QSEQTQWKHYQGKG-VXGBXAGGSA-N	1	1	232.283	1.360	1	0		BDAFMO
Cc1oc2c(c(=O)c1C)[C@@H]1CC[C@H](C2)[N@@H+]1C	ZINC000000967698	560179996	/nfs/dbraw/zinc/17/99/96/560179996.db2.gz	WBTZDCUVPGAROE-ZJUUUORDSA-N	1	1	219.284	1.948	1	0	in-vitro	BDAFMO
Cc1[nH+]ccn1CCC(=O)Nc1cccc(O)c1	ZINC000098085389	180231978	/nfs/dbraw/zinc/23/19/78/180231978.db2.gz	XARRGEATYHLHPR-UHFFFAOYSA-N	1	1	245.282	1.926	1	0		BDAFMO
O[C@@H]1c2c(F)cccc2[NH+]=C2CCCN21	ZINC000064726006	183214851	/nfs/dbraw/zinc/21/48/51/183214851.db2.gz	TZNNDTQWUMANTB-LLVKDONJSA-N	1	1	206.220	1.956	1	0		BDAFMO
CCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1	ZINC000017039694	132324152	/nfs/dbraw/zinc/32/41/52/132324152.db2.gz	KWALYTWHIXOPEE-UHFFFAOYSA-N	1	1	245.330	1.435	1	0		BDAFMO
CCc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000017039694	132324154	/nfs/dbraw/zinc/32/41/54/132324154.db2.gz	KWALYTWHIXOPEE-UHFFFAOYSA-N	1	1	245.330	1.435	1	0		BDAFMO
C[N@@H+]1CCC[C@H]1[C@H]1CC(Br)=NO1	ZINC000066260015	173058940	/nfs/dbraw/zinc/05/89/40/173058940.db2.gz	HQIUWJQPBRHHAF-NKWVEPMBSA-N	1	1	233.109	1.578	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@H]1CC(Br)=NO1	ZINC000066260015	173058943	/nfs/dbraw/zinc/05/89/43/173058943.db2.gz	HQIUWJQPBRHHAF-NKWVEPMBSA-N	1	1	233.109	1.578	1	0		BDAFMO
CN1CC[C@]2([NH3+])C[C@H]1Cc1ccc(O)cc12	ZINC000026383171	173166350	/nfs/dbraw/zinc/16/63/50/173166350.db2.gz	LCDVKHXYUIXHBW-MFKMUULPSA-N	1	1	218.300	1.197	1	0		BDAFMO
C[N@H+]1CCCC[C@@H]1CN1CCCCC1=O	ZINC000013554180	173004901	/nfs/dbraw/zinc/00/49/01/173004901.db2.gz	TYLBKAZWHNTRBP-LLVKDONJSA-N	1	1	210.321	1.483	1	0		BDAFMO
C[N@H+]1CC[C@@]2(C)c3cc(O)ccc3O[C@H]2C1	ZINC000096927292	173138227	/nfs/dbraw/zinc/13/82/27/173138227.db2.gz	INCFQRUWTDRKPR-STQMWFEESA-N	1	1	219.284	1.746	1	0		BDAFMO
C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1	ZINC000000025854	173190434	/nfs/dbraw/zinc/19/04/34/173190434.db2.gz	WKMLUGOFDWMYKZ-YUMQZZPRSA-N	1	1	224.695	1.023	1	0		BDAFMO
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3CN	ZINC000028948112	175202085	/nfs/dbraw/zinc/20/20/85/175202085.db2.gz	VGUFUCJGTJBSQU-GFCCVEGCSA-N	1	1	231.299	1.322	1	0		BDAFMO
CCC[N@H+]1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]21	ZINC000008584728	169198471	/nfs/dbraw/zinc/19/84/71/169198471.db2.gz	TUFADSGTJUOBEH-MFKMUULPSA-N	1	1	246.358	1.648	1	0	in-vitro	BDAFMO
CC[N@H+]1CC[C@]2(C1)c1cccc(C)c1NC2=O	ZINC000033824256	170014381	/nfs/dbraw/zinc/01/43/81/170014381.db2.gz	GZDBGOAVNVPJLI-AWEZNQCLSA-N	1	1	230.311	1.911	1	0		BDAFMO
C[N@H+]1CC[C@@H](c2c[nH]c3ccccc32)[C@@H](O)C1	ZINC000013731868	173127376	/nfs/dbraw/zinc/12/73/76/173127376.db2.gz	GVKCPEMZQPFRBK-FZMZJTMJSA-N	1	1	230.311	1.948	1	0		BDAFMO
C[C@@H]1C[N@@H+](C)CC[C@@]12COc1c2cccc1O	ZINC000029481389	176269360	/nfs/dbraw/zinc/26/93/60/176269360.db2.gz	BQENLWFUKSDROS-QMTHXVAHSA-N	1	1	233.311	1.994	1	0		BDAFMO
O=C1[C@H]2C[C@H](C[N@H+]3CCCC[C@H]23)[C@H]2CCCCN12	ZINC000005425885	560201948	/nfs/dbraw/zinc/20/19/48/560201948.db2.gz	YQMWQSMYVPLYDI-XJFOESAGSA-N	1	1	248.370	1.872	1	0	biogenic,in-vitro	BDAFMO
CCCCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)n1	ZINC000114195967	169018329	/nfs/dbraw/zinc/01/83/29/169018329.db2.gz	AAINEFSCHYZRDZ-LLVKDONJSA-N	1	1	249.362	1.200	1	0		BDAFMO
C[N@@H+]1C[C@H]2CN(c3ccc(Cl)nc3)C[C@H]2C1	ZINC000040423939	173198984	/nfs/dbraw/zinc/19/89/84/173198984.db2.gz	QZPCTRNKBFDOCH-AOOOYVTPSA-N	1	1	237.734	1.733	1	0		BDAFMO
C[NH+](C)CC[n+]1nc2cccc3cccc([n-]1)c32	ZINC000005809582	172478768	/nfs/dbraw/zinc/47/87/68/172478768.db2.gz	BGDWJLDVWIBMHF-UHFFFAOYSA-N	1	1	241.318	1.565	1	0		BDAFMO
C[N@H+]1CCCC[C@H]1[C@H](O)COc1ccccc1	ZINC000026186538	173010218	/nfs/dbraw/zinc/01/02/18/173010218.db2.gz	QQNBBEGWAYXFQS-UONOGXRCSA-N	1	1	235.327	1.911	1	0		BDAFMO
CN1CC[NH+](C[C@@H]2Cc3ccccc3C2=O)CC1	ZINC000022924888	173084337	/nfs/dbraw/zinc/08/43/37/173084337.db2.gz	SEXWEUPATCACQF-ZDUSSCGKSA-N	1	1	244.338	1.289	1	0		BDAFMO
COc1cccc(CNC2=[NH+]CCO2)c1OC	ZINC000103193705	175263566	/nfs/dbraw/zinc/26/35/66/175263566.db2.gz	CDNDLXIUOUHPBK-UHFFFAOYSA-N	1	1	236.271	1.180	1	0		BDAFMO
CN(C)C(=O)O[C@H]1C[C@H]2CCC[C@@H]1[N@H+]2C	ZINC000026567241	172382035	/nfs/dbraw/zinc/38/20/35/172382035.db2.gz	ZBNZUHHNXBZXSS-UTLUCORTSA-N	1	1	212.293	1.310	1	0		BDAFMO
Oc1ccc2c(c1)N1CC[N@@H+](CC3CC3)[C@@H](C2)C1	ZINC000027844650	132334059	/nfs/dbraw/zinc/33/40/59/132334059.db2.gz	WXUJLEKWGFRUKZ-ZDUSSCGKSA-N	1	1	244.338	1.849	1	0		BDAFMO
CCC[C@H]1NC(=[NH2+])NC(=N)N1c1ccccc1	ZINC000045302592	132354592	/nfs/dbraw/zinc/35/45/92/132354592.db2.gz	XDXYYCZGVGBEOJ-JTQLQIEISA-N	1	1	231.303	1.262	1	0		BDAFMO
CC1=C[C@@H](Cc2ccccc2)[N@H+](C)[C@@H](C(N)=O)C1	ZINC000016940013	168125282	/nfs/dbraw/zinc/12/52/82/168125282.db2.gz	FUWGAYHVUGNBGY-UONOGXRCSA-N	1	1	244.338	1.733	3	0		BDAFMO
C[N@H+]1CCC[C@@H]1[C@@H]1COc2ccccc2O1	ZINC000040829591	173033833	/nfs/dbraw/zinc/03/38/33/173033833.db2.gz	UCVNDHGGPNSSQH-MFKMUULPSA-N	1	1	219.284	1.921	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1	ZINC000073159664	173059027	/nfs/dbraw/zinc/05/90/27/173059027.db2.gz	OHYANMWFAIMESB-GXFFZTMASA-N	1	1	235.283	1.626	1	0		BDAFMO
C[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@]2(C)O	ZINC000169342311	173164376	/nfs/dbraw/zinc/16/43/76/173164376.db2.gz	WOSDJPAOAUTBDI-RRFJBIMHSA-N	1	1	247.338	1.661	1	0		BDAFMO
O=C1CCC[C@@H]2[C@H]3CC=C[N@H+]4CCC[C@@H](CN12)[C@@H]34	ZINC000100043249	560053773	/nfs/dbraw/zinc/05/37/73/560053773.db2.gz	YJGOAQJUJXBTCJ-JLNYLFASSA-N	1	1	246.354	1.995	1	0	biogenic,in-vitro	BDAFMO
O=C1NC(=S)SC1=C[n+]1ccccc1	ZINC000028640722	183024609	/nfs/dbraw/zinc/02/46/09/183024609.db2.gz	BEBFEXXTKAEZHJ-SREVYHEPSA-O	1	1	223.302	1.761	1	0		BDAFMO
CCC[N@H+]1CCn2c(=O)[nH]c3cccc(c32)C1	ZINC000040423766	169210193	/nfs/dbraw/zinc/21/01/93/169210193.db2.gz	UQBJKPWKZMVSIU-UHFFFAOYSA-N	1	1	231.299	1.555	1	0		BDAFMO
Cc1ccc(N2C(=N)NC(=[NH2+])N[C@@H]2C(C)C)cc1	ZINC000013809239	132322306	/nfs/dbraw/zinc/32/23/06/132322306.db2.gz	VZUPZCGJBVZOJK-NSHDSACASA-N	1	1	245.330	1.427	1	0		BDAFMO
CC(C)Oc1cccc2c1C(=O)N1CC[NH2+]C[C@H]21	ZINC000036270492	167308147	/nfs/dbraw/zinc/30/81/47/167308147.db2.gz	OGYGHKGXCTYKEZ-LLVKDONJSA-N	1	1	246.310	1.574	1	0		BDAFMO
C[N@H+]1CCC[C@@H]1[C@H]1COc2ccc(O)cc2O1	ZINC000073196790	173035918	/nfs/dbraw/zinc/03/59/18/173035918.db2.gz	OHYANMWFAIMESB-ZWNOBZJWSA-N	1	1	235.283	1.626	1	0		BDAFMO
C[N@H+]1CCC[C@H]1COc1ccc2c(c1)OCO2	ZINC000026376674	173056596	/nfs/dbraw/zinc/05/65/96/173056596.db2.gz	GITYROLVTAAXPB-JTQLQIEISA-N	1	1	235.283	1.888	1	0		BDAFMO
C[N@H+]1CC[C@@]2(c3cccc(O)c3)CCC[C@@H]1[C@H]2O	ZINC000013454255	173142021	/nfs/dbraw/zinc/14/20/21/173142021.db2.gz	CTLFZKBHJPSVMV-RBSFLKMASA-N	1	1	247.338	1.879	1	0		BDAFMO
COc1ccc(NC2=[NH+]C(C)(C)NC(=N)N2)cc1	ZINC000045287148	175149609	/nfs/dbraw/zinc/14/96/09/175149609.db2.gz	DFVDDOBYWPTYDI-UHFFFAOYSA-N	1	1	247.302	1.117	1	0		BDAFMO
COc1ccc2c(c1)O[C@@H]([C@@H]1CCC[N@H+]1C)CO2	ZINC000073163178	175213885	/nfs/dbraw/zinc/21/38/85/175213885.db2.gz	QYXYFSOIXBSHGY-SMDDNHRTSA-N	1	1	249.310	1.929	1	0		BDAFMO
Cc1[nH+]ccn1C[C@@H](O)COC1CCCCC1	ZINC000000789809	180266759	/nfs/dbraw/zinc/26/67/59/180266759.db2.gz	XDCMYKKSQPXGOY-GFCCVEGCSA-N	1	1	238.331	1.902	3	0		BDAFMO
C[N@@H+]1CCC=C(c2nccnc2Cl)C1	ZINC000013728566	188280248	/nfs/dbraw/zinc/28/02/48/188280248.db2.gz	KRFOYOCNRILWAO-UHFFFAOYSA-N	1	1	209.680	1.849	1	0		BDAFMO
C[N@H+]1CCC=C(c2nccnc2Cl)C1	ZINC000013728566	188280250	/nfs/dbraw/zinc/28/02/50/188280250.db2.gz	KRFOYOCNRILWAO-UHFFFAOYSA-N	1	1	209.680	1.849	1	0		BDAFMO
COc1ccc(CC2=NO[C@@H]3C[N@@H+](C)C[C@@H]23)cc1	ZINC000073156910	188307272	/nfs/dbraw/zinc/30/72/72/188307272.db2.gz	NIMPWROAHBNIDJ-GXTWGEPZSA-N	1	1	246.310	1.554	1	0		BDAFMO
CCCN1C(=O)OC[C@@H]1Cc1cnc[nH]1	ZINC000029312419	169184520	/nfs/dbraw/zinc/18/45/20/169184520.db2.gz	RCVKOSWUBBWVEL-VIFPVBQESA-N	1	1	209.249	1.183	1	0		BDAFMO
CN(C)C(=O)O[C@@H]1C[C@H]2CCC[C@@H]1[N@H+]2C	ZINC000026567238	172381990	/nfs/dbraw/zinc/38/19/90/172381990.db2.gz	ZBNZUHHNXBZXSS-KXUCPTDWSA-N	1	1	212.293	1.310	1	0		BDAFMO
C[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@]2(C)O	ZINC000169342326	173165572	/nfs/dbraw/zinc/16/55/72/173165572.db2.gz	WOSDJPAOAUTBDI-ZNMIVQPWSA-N	1	1	247.338	1.661	1	0		BDAFMO
C[N@H+]1[C@H]2C[C@](c3cccc(O)c3)(CCC2)[C@@H]1CO	ZINC000082156481	173204972	/nfs/dbraw/zinc/20/49/72/173204972.db2.gz	JFXPALLSUMQWGK-SNPRPXQTSA-N	1	1	247.338	1.879	1	0		BDAFMO
CNC(=S)Nc1nc2cc([N+]#N)ccc2[nH]1	ZINC000026574138	173316751	/nfs/dbraw/zinc/31/67/51/173316751.db2.gz	FJIGMVHHQPBBGO-UHFFFAOYSA-O	1	1	233.280	1.964	1	0		BDAFMO
COc1ccc(C2=NO[C@@H]3C[N@@H+](C)C[C@H]23)cc1	ZINC000073170186	175085493	/nfs/dbraw/zinc/08/54/93/175085493.db2.gz	QSEQTQWKHYQGKG-NWDGAFQWSA-N	1	1	232.283	1.360	1	0		BDAFMO
C[C@H]1Cc2c(cnc3c2C[N@@H+](C)CC3)CO1	ZINC000007991994	177387736	/nfs/dbraw/zinc/38/77/36/177387736.db2.gz	NLWMFFCHUFRARL-VIFPVBQESA-N	1	1	218.300	1.531	1	0		BDAFMO
CCC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(C)cc1	ZINC000013809233	535496360	/nfs/dbraw/zinc/49/63/60/535496360.db2.gz	JOIGYABBXVVXCW-LLVKDONJSA-N	1	1	245.330	1.571	1	0		BDAFMO
CCN1C(=O)CS[C@H]1C1=CCC[N@@H+](C)C1	ZINC000045299977	169946083	/nfs/dbraw/zinc/94/60/83/169946083.db2.gz	JSXYTYAHKQRPIG-NSHDSACASA-N	1	1	226.345	1.170	1	0		BDAFMO
CN1C[C@H]2CC[C@@H](O)[C@@H]1C[N@H+]2Cc1ccccc1	ZINC000028712968	173198731	/nfs/dbraw/zinc/19/87/31/173198731.db2.gz	NHNVWOOBLVBHIJ-QLFBSQMISA-N	1	1	246.354	1.326	1	0		BDAFMO
C[N@@H+]1C[C@H]2CC[C@@H](O)[C@@H]1CN2Cc1ccccc1	ZINC000028712968	173198732	/nfs/dbraw/zinc/19/87/32/173198732.db2.gz	NHNVWOOBLVBHIJ-QLFBSQMISA-N	1	1	246.354	1.326	1	0		BDAFMO
C[N@H+]1C[C@H]2CC[C@@H](O)[C@@H]1CN2Cc1ccccc1	ZINC000028712968	173198734	/nfs/dbraw/zinc/19/87/34/173198734.db2.gz	NHNVWOOBLVBHIJ-QLFBSQMISA-N	1	1	246.354	1.326	1	0		BDAFMO
COc1ccc2c(c1)[C@@]1(C)CC[N@@H+](C)[C@@H](C2)[C@H]1O	ZINC000169346390	175215425	/nfs/dbraw/zinc/21/54/25/175215425.db2.gz	CJUYSRZZICRHKV-RRFJBIMHSA-N	1	1	247.338	1.574	1	0		BDAFMO
O=C1CC2=CC[C@H]3C[C@]2(O1)[C@@H]1CCCC[N@H+]31	ZINC000033830729	560088597	/nfs/dbraw/zinc/08/85/97/560088597.db2.gz	WIZZYKKFXRFBKY-GMXVVIOVSA-N	1	1	219.284	1.629	1	0	biogenic,in-vitro	BDAFMO
Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)n1	ZINC000040566127	179139823	/nfs/dbraw/zinc/13/98/23/179139823.db2.gz	CHXSXWUVSWNQCL-NSHDSACASA-N	1	1	233.315	1.670	1	0		BDAFMO
CCC[N@@H+]1CCO[C@H](c2cccc(C(N)=O)c2)C1	ZINC000028957371	169205703	/nfs/dbraw/zinc/20/57/03/169205703.db2.gz	RCQJEJXVPNDEPD-ZDUSSCGKSA-N	1	1	248.326	1.569	1	0		BDAFMO
CCC[N@H+]1CCO[C@H](c2cccc(C(N)=O)c2)C1	ZINC000028957371	169205704	/nfs/dbraw/zinc/20/57/04/169205704.db2.gz	RCQJEJXVPNDEPD-ZDUSSCGKSA-N	1	1	248.326	1.569	1	0		BDAFMO
CC[C@H]1NC(=[NH2+])NC(=N)N1c1ccc(C)cc1	ZINC000013809231	132322462	/nfs/dbraw/zinc/32/24/62/132322462.db2.gz	JVSPLIKLKSADIK-JTQLQIEISA-N	1	1	231.303	1.181	1	0		BDAFMO
Nc1ccc2c(c1)N1CC[N@@H+](CC3CC3)[C@H](C2)C1	ZINC000027770003	132333937	/nfs/dbraw/zinc/33/39/37/132333937.db2.gz	GHRJENZEMOBTAF-CQSZACIVSA-N	1	1	243.354	1.726	1	0		BDAFMO
CC1=C[C@H](Cc2ccccc2)[N@H+](C)[C@@H](C(N)=O)C1	ZINC000017131015	168132381	/nfs/dbraw/zinc/13/23/81/168132381.db2.gz	FUWGAYHVUGNBGY-ZIAGYGMSSA-N	1	1	244.338	1.733	3	0		BDAFMO
C[N@H+]1CCC2=C(C1)c1nsnc1SC2	ZINC000000021235	173003640	/nfs/dbraw/zinc/00/36/40/173003640.db2.gz	WRBQCJLTQVVWLA-UHFFFAOYSA-N	1	1	225.342	1.733	1	0		BDAFMO
O=C1C=C2CC[C@H]3C[C@]2(O1)[C@@H]1CCCC[N@H+]31	ZINC000085855736	560066541	/nfs/dbraw/zinc/06/65/41/560066541.db2.gz	NROOUNRRNXKDBP-GMXVVIOVSA-N	1	1	219.284	1.629	1	0	biogenic,in-vitro	BDAFMO
NC1=[NH+]c2ccccc2Sc2nncn21	ZINC000017255539	181340386	/nfs/dbraw/zinc/34/03/86/181340386.db2.gz	CAOQZWGGOUPHNY-UHFFFAOYSA-N	1	1	217.257	1.237	1	0		BDAFMO
Nc1nc(N)c2cc(-n3cccc3)ccc2[nH+]1	ZINC000169344348	181784591	/nfs/dbraw/zinc/78/45/91/181784591.db2.gz	JDNKKLLZGOLIPV-UHFFFAOYSA-N	1	1	225.255	1.585	1	0		BDAFMO
Cc1ccc(N2C(=N)NC(=[NH2+])N[C@H]2C(C)C)cc1	ZINC000013809237	132322287	/nfs/dbraw/zinc/32/22/87/132322287.db2.gz	VZUPZCGJBVZOJK-LLVKDONJSA-N	1	1	245.330	1.427	1	0		BDAFMO
CC(C)Nc1cc(N2CCN(C)CC2)cc(N)[nH+]1	ZINC000071341673	132392021	/nfs/dbraw/zinc/39/20/21/132392021.db2.gz	LUKSYCWZFMYISW-UHFFFAOYSA-N	1	1	249.362	1.236	1	0		BDAFMO
CC[C@H]1[C@@H](Cc2c[nH+]cn2C)CS[C@@H]1O	ZINC000013447176	171157525	/nfs/dbraw/zinc/15/75/25/171157525.db2.gz	GYARYICIOJNOLJ-LSJOCFKGSA-N	1	1	226.345	1.670	1	0		BDAFMO
C[N@H+]1CC[C@H](c2c[nH]c3ccccc32)[C@@H](O)C1	ZINC000013731870	173156552	/nfs/dbraw/zinc/15/65/52/173156552.db2.gz	GVKCPEMZQPFRBK-RISCZKNCSA-N	1	1	230.311	1.948	1	0		BDAFMO
C[N@H+]1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2O	ZINC000169346397	173165732	/nfs/dbraw/zinc/16/57/32/173165732.db2.gz	VRBXYEXJEFEMEV-MELADBBJSA-N	1	1	233.311	1.271	1	0		BDAFMO
C[N@H+]1CC[C@]2(c3cccc(O)c3)CCC[C@H]1[C@H]2O	ZINC000169368411	173166321	/nfs/dbraw/zinc/16/63/21/173166321.db2.gz	CTLFZKBHJPSVMV-ZNMIVQPWSA-N	1	1	247.338	1.879	1	0		BDAFMO
Cn1cccc1C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000103235768	173206701	/nfs/dbraw/zinc/20/67/01/173206701.db2.gz	RMRZHWOCIQRZQI-GDNZZTSVSA-N	1	1	248.326	1.807	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1ccnnc1)C2	ZINC000013519627	173207554	/nfs/dbraw/zinc/20/75/54/173207554.db2.gz	WDVGXWCRUNFCBQ-CMPLNLGQSA-N	1	1	218.304	1.150	1	0		BDAFMO
CC[C@H]1[C@H](O)SC[C@@H]1Cc1c[nH+]cn1C	ZINC000013447185	171157331	/nfs/dbraw/zinc/15/73/31/171157331.db2.gz	GYARYICIOJNOLJ-JMJZKYOTSA-N	1	1	226.345	1.670	1	0		BDAFMO
CC[C@@H]1NC(=[NH2+])NC(=N)N1c1ccc(C)cc1	ZINC000013809229	132322459	/nfs/dbraw/zinc/32/24/59/132322459.db2.gz	JVSPLIKLKSADIK-SNVBAGLBSA-N	1	1	231.303	1.181	1	0		BDAFMO
CCc1c[nH+]c(N)nc1N[C@H](C)c1cnn(C)c1	ZINC000095370900	644747088	/nfs/dbraw/zinc/74/70/88/644747088.db2.gz	CSPZHCSGCUDYKQ-MRVPVSSYSA-N	1	1	246.318	1.528	1	0		BDAFMO
CC(=O)O[C@H]1C[C@@H](c2cccnc2)[N@H+](C)C1	ZINC000027108564	188283129	/nfs/dbraw/zinc/28/31/29/188283129.db2.gz	UILXGIGHUIZXMK-RYUDHWBXSA-N	1	1	220.272	1.390	1	0		BDAFMO
CC(=O)O[C@H]1C[C@@H](c2cccnc2)[N@@H+](C)C1	ZINC000027108564	188283131	/nfs/dbraw/zinc/28/31/31/188283131.db2.gz	UILXGIGHUIZXMK-RYUDHWBXSA-N	1	1	220.272	1.390	1	0		BDAFMO
OCCCc1c[nH+]cn1Cc1ccc(F)cc1	ZINC000045336426	183064848	/nfs/dbraw/zinc/06/48/48/183064848.db2.gz	MTJKAAUUQRJJML-UHFFFAOYSA-N	1	1	234.274	1.995	1	0		BDAFMO
CCC[N@H+]1CCC=C(c2nnn(CC)n2)C1	ZINC000013739803	169191463	/nfs/dbraw/zinc/19/14/63/169191463.db2.gz	FLHLXHPQWIUQNP-UHFFFAOYSA-N	1	1	221.308	1.192	1	0		BDAFMO
C[N@H+]1CCC[C@@H]1[C@@H]1COc2ccc(O)cc2O1	ZINC000073196791	173034905	/nfs/dbraw/zinc/03/49/05/173034905.db2.gz	OHYANMWFAIMESB-MFKMUULPSA-N	1	1	235.283	1.626	1	0		BDAFMO
C[N@H+]1CC[C@]2(C)c3ccccc3C[C@H]1[C@@H]2O	ZINC000169346394	173164686	/nfs/dbraw/zinc/16/46/86/173164686.db2.gz	WUQBEBLBRRXOBM-MELADBBJSA-N	1	1	217.312	1.565	1	0		BDAFMO
C[C@H]1C[N@@H+](C)CC[C@@]12COc1c2cccc1O	ZINC000029481392	177233925	/nfs/dbraw/zinc/23/39/25/177233925.db2.gz	BQENLWFUKSDROS-IINYFYTJSA-N	1	1	233.311	1.994	1	0		BDAFMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)n1	ZINC000040566125	179138429	/nfs/dbraw/zinc/13/84/29/179138429.db2.gz	CHXSXWUVSWNQCL-LLVKDONJSA-N	1	1	233.315	1.670	1	0		BDAFMO
O[C@H]1c2c(F)cccc2[NH+]=C2CCCN21	ZINC000064726004	183249279	/nfs/dbraw/zinc/24/92/79/183249279.db2.gz	TZNNDTQWUMANTB-NSHDSACASA-N	1	1	206.220	1.956	1	0		BDAFMO
CCC[N@@H+]1CCO[C@@H](c2cccc(CO)c2)C1	ZINC000028957362	169205162	/nfs/dbraw/zinc/20/51/62/169205162.db2.gz	MODGDEGZNGLHBN-CQSZACIVSA-N	1	1	235.327	1.962	1	0		BDAFMO
CCC[N@H+]1CCO[C@@H](c2cccc(CO)c2)C1	ZINC000028957362	169205164	/nfs/dbraw/zinc/20/51/64/169205164.db2.gz	MODGDEGZNGLHBN-CQSZACIVSA-N	1	1	235.327	1.962	1	0		BDAFMO
CCC[N@H+]1C[C@H](CO)C[C@@H]2Cc3c[nH]cc3C[C@@H]21	ZINC000027550008	169210391	/nfs/dbraw/zinc/21/03/91/169210391.db2.gz	DWPJTKDZJDLEJR-JMSVASOKSA-N	1	1	248.370	1.822	1	0		BDAFMO
CC(C)[NH2+][C@@H](C)c1nc2cccc(C(N)=O)c2[nH]1	ZINC000040935163	167133285	/nfs/dbraw/zinc/13/32/85/167133285.db2.gz	XPSRYZVEQZZVLT-QMMMGPOBSA-N	1	1	246.314	1.721	1	0		BDAFMO
CC(C)Oc1cccc2c1C(=O)N1CC[NH2+]C[C@@H]21	ZINC000036270494	167307827	/nfs/dbraw/zinc/30/78/27/167307827.db2.gz	OGYGHKGXCTYKEZ-NSHDSACASA-N	1	1	246.310	1.574	1	0		BDAFMO
CC[N@H+]1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21	ZINC000013740514	170024236	/nfs/dbraw/zinc/02/42/36/170024236.db2.gz	DZUXYVDMWRUWQY-DGCLKSJQSA-N	1	1	244.338	1.910	1	0		BDAFMO
C[N@H+]1CC[C@]2(c3cccc(O)c3)CCC[C@H]1[C@@H]2O	ZINC000058482331	173167420	/nfs/dbraw/zinc/16/74/20/173167420.db2.gz	CTLFZKBHJPSVMV-KKUMJFAQSA-N	1	1	247.338	1.879	1	0		BDAFMO
C[N@H+]1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1	ZINC000073166713	173199398	/nfs/dbraw/zinc/19/93/98/173199398.db2.gz	OGASDKWFEWGEDH-GHMZBOCLSA-N	1	1	202.257	1.351	1	0		BDAFMO
COc1ccc(NCc2c[nH+]c(N)nc2N)cc1	ZINC000049112565	175152240	/nfs/dbraw/zinc/15/22/40/175152240.db2.gz	LUBPBICIXFVWQZ-UHFFFAOYSA-N	1	1	245.286	1.262	1	0		BDAFMO
COc1cccc([C@@]23C[C@@H]2C[N@@H+](C)C3)c1	ZINC000027550305	175291891	/nfs/dbraw/zinc/29/18/91/175291891.db2.gz	AQHWIKMKNJOKOW-YPMHNXCESA-N	1	1	203.285	1.898	1	0		BDAFMO
CCC[N@@H+]1CCO[C@H](c2cccc(CO)c2)C1	ZINC000028957364	169205153	/nfs/dbraw/zinc/20/51/53/169205153.db2.gz	MODGDEGZNGLHBN-AWEZNQCLSA-N	1	1	235.327	1.962	1	0		BDAFMO
CCC[N@H+]1CCO[C@H](c2cccc(CO)c2)C1	ZINC000028957364	169205155	/nfs/dbraw/zinc/20/51/55/169205155.db2.gz	MODGDEGZNGLHBN-AWEZNQCLSA-N	1	1	235.327	1.962	1	0		BDAFMO
CCC[N@@H+]1CCO[C@H](c2ccc(O)c(N)c2)C1	ZINC000028957475	169204658	/nfs/dbraw/zinc/20/46/58/169204658.db2.gz	HZWYVVALALXEJB-ZDUSSCGKSA-N	1	1	236.315	1.758	1	0		BDAFMO
CCC[N@H+]1CCO[C@H](c2ccc(O)c(N)c2)C1	ZINC000028957475	169204660	/nfs/dbraw/zinc/20/46/60/169204660.db2.gz	HZWYVVALALXEJB-ZDUSSCGKSA-N	1	1	236.315	1.758	1	0		BDAFMO
CCC[N@H+]1C[C@@H](CO)C[C@@H]2Cc3c[nH]cc3C[C@@H]21	ZINC000027550005	169209656	/nfs/dbraw/zinc/20/96/56/169209656.db2.gz	DWPJTKDZJDLEJR-ZOWXZIJZSA-N	1	1	248.370	1.822	1	0		BDAFMO
C[N@H+]1[C@@H]2C[C@H]1CN(c1ccc(Cl)nc1)C2	ZINC000040894983	132348983	/nfs/dbraw/zinc/34/89/83/132348983.db2.gz	ADHHRRUNCOLIPU-AOOOYVTPSA-N	1	1	223.707	1.628	1	0		BDAFMO
C[N@@H+]1[C@@H]2C[C@H]1CN(c1ccc(Cl)nc1)C2	ZINC000040894983	132348985	/nfs/dbraw/zinc/34/89/85/132348985.db2.gz	ADHHRRUNCOLIPU-AOOOYVTPSA-N	1	1	223.707	1.628	1	0		BDAFMO
Oc1ccc2c(c1)N1CC[N@@H+](CC3CC3)[C@H](C2)C1	ZINC000027844642	132334031	/nfs/dbraw/zinc/33/40/31/132334031.db2.gz	WXUJLEKWGFRUKZ-CYBMUJFWSA-N	1	1	244.338	1.849	1	0		BDAFMO
C[N@@H+]1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4	ZINC000027991393	173103875	/nfs/dbraw/zinc/10/38/75/173103875.db2.gz	BGDWLXHOUQZPOK-UKRRQHHQSA-N	1	1	245.322	1.939	1	0		BDAFMO
C[N@H+]1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCO4	ZINC000027991393	173103878	/nfs/dbraw/zinc/10/38/78/173103878.db2.gz	BGDWLXHOUQZPOK-UKRRQHHQSA-N	1	1	245.322	1.939	1	0		BDAFMO
C[N@H+]1CC[C@H]2OC(=O)c3ccccc3[C@@H]2C1	ZINC000169320070	173162826	/nfs/dbraw/zinc/16/28/26/173162826.db2.gz	PDPLBVIQNAZCAX-NWDGAFQWSA-N	1	1	217.268	1.645	1	0		BDAFMO
C[N@H+]1CC[C@H]2OC(=O)c3ccccc3[C@H]2C1	ZINC000169320068	173163320	/nfs/dbraw/zinc/16/33/20/173163320.db2.gz	PDPLBVIQNAZCAX-VXGBXAGGSA-N	1	1	217.268	1.645	1	0		BDAFMO
C[N@H+]1C[C@@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2	ZINC000073281039	173187873	/nfs/dbraw/zinc/18/78/73/173187873.db2.gz	JUULCRSXGVEZAD-NWANDNLSSA-N	1	1	247.338	1.879	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC=C2c1cncnc1	ZINC000013519615	173205463	/nfs/dbraw/zinc/20/54/63/173205463.db2.gz	IEGZJSVYJFWLHN-ZYHUDNBSSA-N	1	1	201.273	1.727	1	0		BDAFMO
O=C1[C@@H]2C[C@@H](C[N@H+]3CCCC[C@H]23)[C@H]2CCC=CN12	ZINC000095910375	560058754	/nfs/dbraw/zinc/05/87/54/560058754.db2.gz	OUUSQTVRZSKTBG-REWJHTLYSA-N	1	1	246.354	1.995	1	0	biogenic,in-vitro	BDAFMO
CO[C@H]1CC[N@H+]2[C@@H]3C=CC4=CC(=O)O[C@]4(C3)[C@@H]2C1	ZINC000070450867	384107488	/nfs/dbraw/zinc/10/74/88/384107488.db2.gz	YKLWRYOORWTCQQ-UHXUPSOCSA-N	1	1	247.294	1.030	1	0	biogenic,in-vitro	BDAFMO
CC(C)[NH2+][C@H](C)c1nc2cccc(C(N)=O)c2[nH]1	ZINC000040935165	167138547	/nfs/dbraw/zinc/13/85/47/167138547.db2.gz	XPSRYZVEQZZVLT-MRVPVSSYSA-N	1	1	246.314	1.721	1	0		BDAFMO
CN(C)C(=S)C1=CC[C@H]2CC[C@@H]1[N@H+]2C	ZINC000026168891	172392974	/nfs/dbraw/zinc/39/29/74/172392974.db2.gz	SCGFJBIGWSECTN-WPRPVWTQSA-N	1	1	210.346	1.668	1	0		BDAFMO
C[N@H+]1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21	ZINC000013740513	173162193	/nfs/dbraw/zinc/16/21/93/173162193.db2.gz	OEHRTTDNZXEQFL-ZYHUDNBSSA-N	1	1	230.311	1.519	1	0		BDAFMO
CN1CNc2nc[nH+]c(NCc3ccccc3)c21	ZINC000027406848	173180379	/nfs/dbraw/zinc/18/03/79/173180379.db2.gz	JTGDRYYAMCGEMS-UHFFFAOYSA-N	1	1	241.298	1.908	1	0		BDAFMO
C[N@H+]1C[C@H](O)[C@]2(c3cccc(O)c3)CCC[C@H]1C2	ZINC000073281038	173195893	/nfs/dbraw/zinc/19/58/93/173195893.db2.gz	JUULCRSXGVEZAD-AEGPPILISA-N	1	1	247.338	1.879	1	0		BDAFMO
O=C1CC=C[C@@H]2[C@H]3CC=C[N@H+]4C=CC[C@@H](CN12)[C@@H]34	ZINC000100043241	560053636	/nfs/dbraw/zinc/05/36/36/560053636.db2.gz	JTBUMABPZARRGX-JLNYLFASSA-N	1	1	242.322	1.895	1	0	biogenic,in-vitro	BDAFMO
CCC[C@H]1NC(=[NH2+])NC(=N)N1c1ccc(C)cc1	ZINC000013809235	132322219	/nfs/dbraw/zinc/32/22/19/132322219.db2.gz	JOIGYABBXVVXCW-NSHDSACASA-N	1	1	245.330	1.571	1	0		BDAFMO
C[N@H+]1C[C@@H]2ON=C(c3ccccc3)[C@@H]2C1	ZINC000169356980	173198091	/nfs/dbraw/zinc/19/80/91/173198091.db2.gz	OGASDKWFEWGEDH-MNOVXSKESA-N	1	1	202.257	1.351	1	0		BDAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cncnc1)C2	ZINC000013519513	173207266	/nfs/dbraw/zinc/20/72/66/173207266.db2.gz	LBTLHVWUTXXMNI-WDEREUQCSA-N	1	1	218.304	1.150	1	0		BDAFMO
Cc1[nH+]ccn1-c1nccc2[nH]c(=O)ccc21	ZINC000027551330	180229874	/nfs/dbraw/zinc/22/98/74/180229874.db2.gz	SIDWLHKHXRPIBU-UHFFFAOYSA-N	1	1	226.239	1.417	1	0		BDAFMO
OC12[NH2+]C(Cc3ccccc31)Cc1ccccc12	ZINC000027890140	183025263	/nfs/dbraw/zinc/02/52/63/183025263.db2.gz	NIGZWJTYZFTTPX-UHFFFAOYSA-N	1	1	237.302	1.950	1	0		BDAFMO
C[N@H+]1CCC[C@H]1COc1ccc(Cl)nn1	ZINC000013652948	173057371	/nfs/dbraw/zinc/05/73/71/173057371.db2.gz	BYLJJKHKXXAFHV-QMMMGPOBSA-N	1	1	227.695	1.603	1	0		BDAFMO
C[N@@H+]1CCc2cc3nc(N)sc3cc2CC1	ZINC000095584874	173172567	/nfs/dbraw/zinc/17/25/67/173172567.db2.gz	CVHMNBOWZFIXEJ-UHFFFAOYSA-N	1	1	233.340	1.909	1	0		BDAFMO
C[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3ccccc3)C2)C1	ZINC000001842187	173190674	/nfs/dbraw/zinc/19/06/74/173190674.db2.gz	MEMXGPHDTUPHHO-BETUJISGSA-N	1	1	244.338	1.710	1	0		BDAFMO
C[N@@H+]1C[C@H]2CN(c3cccnc3)C[C@H]2C1	ZINC000034017099	173200541	/nfs/dbraw/zinc/20/05/41/173200541.db2.gz	UBQWFBOLOFJCDH-PHIMTYICSA-N	1	1	203.289	1.079	1	0		BDAFMO
Cc1[nH+]ccn1Cc1cnc(C)c(O)c1CO	ZINC000028376013	180164586	/nfs/dbraw/zinc/16/45/86/180164586.db2.gz	KJAGCXIZLRWRPD-UHFFFAOYSA-N	1	1	233.271	1.141	1	0		BDAFMO
Cc1[nH+]ccn1C[C@H](O)COC1CCCCC1	ZINC000000789807	180270335	/nfs/dbraw/zinc/27/03/35/180270335.db2.gz	XDCMYKKSQPXGOY-LBPRGKRZSA-N	1	1	238.331	1.902	3	0		BDAFMO
CCC[NH2+][C@@H](C)c1nc2cccc(C(N)=O)c2[nH]1	ZINC000040410224	169276915	/nfs/dbraw/zinc/27/69/15/169276915.db2.gz	QRVIOJXPEZLSOL-QMMMGPOBSA-N	1	1	246.314	1.722	1	0		BDAFMO
CCc1c[nH+]c(N)nc1N[C@@H](C)c1cnn(C)c1	ZINC000095370899	644747131	/nfs/dbraw/zinc/74/71/31/644747131.db2.gz	CSPZHCSGCUDYKQ-QMMMGPOBSA-N	1	1	246.318	1.528	1	0		BDAFMO
Cc1cc2c(c(N)c1)N[C@H]1CC[N@H+](C)C[C@@H]21	ZINC000028572607	178103671	/nfs/dbraw/zinc/10/36/71/178103671.db2.gz	HCJSPBMFHNKIMA-JQWIXIFHSA-N	1	1	217.316	1.790	1	0		BDAFMO
Fc1ccc(F)c(CNC2=[NH+]CCO2)c1	ZINC000103194683	180973493	/nfs/dbraw/zinc/97/34/93/180973493.db2.gz	SGVRULFPWKHIQM-UHFFFAOYSA-N	1	1	212.199	1.441	1	0		BDAFMO
[NH3+]CCCNc1[nH+]cnc2[n-]c3cnccc3c21	ZINC000059127403	181383651	/nfs/dbraw/zinc/38/36/51/181383651.db2.gz	WBTUCIYELAQGEB-UHFFFAOYSA-N	1	1	242.286	1.267	1	0		BDAFMO
O[C@@H](/C=C/c1ccccc1)CC[NH+]1CCOCC1	ZINC000027437041	183172669	/nfs/dbraw/zinc/17/26/69/183172669.db2.gz	DUVCBFHLUUOGJL-LFAOLKIESA-N	1	1	247.338	1.783	1	0		BDAFMO
C[C@@H]1C(=O)O[C@@]23CCC[N@@H+]4CCC[C@H](O2)[C@H]4[C@@H]13	ZINC000066156804	176047288	/nfs/dbraw/zinc/04/72/88/176047288.db2.gz	NZKVEHYEBCHMPJ-XPORZQOISA-N	1	1	237.299	1.149	1	0		BDAFMO
NC(=[NH2+])c1ccc2nc(-c3ccccn3)[nH]c2c1	ZINC000014961133	181194972	/nfs/dbraw/zinc/19/49/72/181194972.db2.gz	RVIFTTGMSLOWED-UHFFFAOYSA-N	1	1	237.266	1.909	1	0		BDAFMO
[NH3+]C1CCC(C[C@H](C(=O)[O-])c2cnc[nH]2)CC1	ZINC000026248999	181341754	/nfs/dbraw/zinc/34/17/54/181341754.db2.gz	QDWZLLMKOBKAAN-RTBKNWGFSA-N	1	1	237.303	1.486	1	0		BDAFMO
CCC[N@@H+]1CCO[C@@H](c2cccc(C(N)=O)c2)C1	ZINC000028957369	169205831	/nfs/dbraw/zinc/20/58/31/169205831.db2.gz	RCQJEJXVPNDEPD-CYBMUJFWSA-N	1	1	248.326	1.569	1	0		BDAFMO
CCC[N@H+]1CCO[C@@H](c2cccc(C(N)=O)c2)C1	ZINC000028957369	169205832	/nfs/dbraw/zinc/20/58/32/169205832.db2.gz	RCQJEJXVPNDEPD-CYBMUJFWSA-N	1	1	248.326	1.569	1	0		BDAFMO
CC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000023379294	169985289	/nfs/dbraw/zinc/98/52/89/169985289.db2.gz	UQTBRCDPVNNPRI-XQQFMLRXSA-N	1	1	236.359	1.587	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1	ZINC000073159659	173058026	/nfs/dbraw/zinc/05/80/26/173058026.db2.gz	OHYANMWFAIMESB-GWCFXTLKSA-N	1	1	235.283	1.626	1	0		BDAFMO
C[N@H+]1CCC[C@H]1[C@H]1COc2ccccc2O1	ZINC000040834593	173058382	/nfs/dbraw/zinc/05/83/82/173058382.db2.gz	UCVNDHGGPNSSQH-GXFFZTMASA-N	1	1	219.284	1.921	1	0		BDAFMO
C[N@H+]1CCC[C@]2(CC(Br)=NO2)C1	ZINC000073196777	173060821	/nfs/dbraw/zinc/06/08/21/173060821.db2.gz	BLNCHHXJKCNURH-QMMMGPOBSA-N	1	1	233.109	1.580	1	0		BDAFMO
C[N@H+]1CC[C@H]1COc1ccc(Cl)nn1	ZINC000026660648	173158820	/nfs/dbraw/zinc/15/88/20/173158820.db2.gz	OGRVDTQYNJUNCB-ZETCQYMHSA-N	1	1	213.668	1.213	1	0		BDAFMO
C[N@H+]1CC[C@]2(C)c3ccccc3C[C@H]1[C@]2(C)O	ZINC000169346389	173165817	/nfs/dbraw/zinc/16/58/17/173165817.db2.gz	SSJHPSNXHBBMES-ZNMIVQPWSA-N	1	1	231.339	1.956	1	0		BDAFMO