smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(CCCCC(C)(C)[NH2+]C[C@H]1COc2ccccc2O1)[NH2+]C[C@H]1COc2ccccc2O1	ZINC000001636959	194130007	/nfs/dbraw/zinc/13/00/07/194130007.db2.gz	GSPQBCGZCISGEM-VXKWHMMOSA-N	2	0	468.638	4.963	40	0		JJABRP
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1	ZINC000004237326	521932793	/nfs/dbraw/zinc/93/27/93/521932793.db2.gz	IOEMLMDQEKOCQZ-NZQKXSOJSA-N	2	0	453.586	4.942	40	0	biogenic,in-vitro	JJABRP
O[C@H](CCCCCCCC[C@H](O)C[NH+]1CCc2ccccc2C1)C[N@@H+]1CCc2ccccc2C1	ZINC000004411125	527683170	/nfs/dbraw/zinc/68/31/70/527683170.db2.gz	JRKFQQBGGPUQDC-RNPORBBMSA-N	2	0	464.694	4.946	40	0		JJABRP
O=c1c2c(nc3cc([C@@H]4CCC[N@@H+](Cc5ccc(F)cc5)C4)[n-]n31)CC[NH+](Cc1ccc(F)cc1)C2	ZINC000100493036	569762282	/nfs/dbraw/zinc/76/22/82/569762282.db2.gz	MKFMRDOLZREZKX-OAQYLSRUSA-N	2	0	489.570	4.651	40	0		JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000252586202	570083577	/nfs/dbraw/zinc/08/35/77/570083577.db2.gz	OEODSVAFZNVWBR-LXWOLXCRSA-N	3	0	453.671	4.543	40	0		JJABRP
CC[N@H+](Cc1ccnc(N2CCCCC2)n1)[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257238082	570119462	/nfs/dbraw/zinc/11/94/62/570119462.db2.gz	HJMUJLXHMMBVEX-AREMUKBSSA-N	2	0	463.670	4.503	40	0		JJABRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429926	520630470	/nfs/dbraw/zinc/63/04/70/520630470.db2.gz	LIQAZDUOOUAOCS-GCSHTFCUSA-N	3	0	466.714	4.574	40	0		JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000012417465	524012050	/nfs/dbraw/zinc/01/20/50/524012050.db2.gz	OEODSVAFZNVWBR-MVOZIGHISA-N	3	0	453.671	4.543	40	0		JJABRP
O=c1c2c(nc3cc([C@H]4CCC[N@H+](Cc5ccccc5F)C4)[n-]n31)CCN(Cc1ccccc1F)C2	ZINC000100493045	569762210	/nfs/dbraw/zinc/76/22/10/569762210.db2.gz	XXVKMQPQNAZQFD-NRFANRHFSA-N	2	0	489.570	4.651	40	0		JJABRP
CC[N@H+](Cc1ccnc(N2CCCCC2)n1)[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257238083	570119642	/nfs/dbraw/zinc/11/96/42/570119642.db2.gz	HJMUJLXHMMBVEX-SANMLTNESA-N	2	0	463.670	4.503	40	0		JJABRP
CCOCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3[N@H+](C)[C@@H](c4ccccc4)C[C@@]3(C)[C@H]2O)cc1	ZINC000257325162	570145957	/nfs/dbraw/zinc/14/59/57/570145957.db2.gz	WRSUDIJTGZHQNL-VNFNVIIVSA-N	2	0	452.639	4.557	40	0		JJABRP
O[C@@H](CCCCCCCC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCc2ccccc2C1	ZINC000004411126	527645485	/nfs/dbraw/zinc/64/54/85/527645485.db2.gz	JRKFQQBGGPUQDC-KYJUHHDHSA-N	2	0	464.694	4.946	40	0		JJABRP
Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+](C)C)c4=O)C2)c2ccccc21	ZINC000003841851	194363694	/nfs/dbraw/zinc/36/36/94/194363694.db2.gz	XKBCPYGEKQNKHV-JTHBVZDNSA-N	2	0	466.629	4.688	40	0	biogenic,in-vitro	JJABRP
O=c1c2c(nc3cc([C@H]4CCC[N@@H+](Cc5ccc(F)cc5)C4)[n-]n31)CC[NH+](Cc1ccc(F)cc1)C2	ZINC000100493037	569762198	/nfs/dbraw/zinc/76/21/98/569762198.db2.gz	MKFMRDOLZREZKX-NRFANRHFSA-N	2	0	489.570	4.651	40	0		JJABRP
Cc1ccccc1C[NH+]1CCc2nc3cc([C@H]4CCC[N@@H+](Cc5ccccc5C)C4)[n-]n3c(=O)c2C1	ZINC000100493048	569762243	/nfs/dbraw/zinc/76/22/43/569762243.db2.gz	SVFLYGUEHUXGJZ-VWLOTQADSA-N	2	0	481.644	4.990	40	0		JJABRP
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H]([NH+]5CCCCC5)C[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCCC1)[C@H]2O	ZINC000231915653	570046840	/nfs/dbraw/zinc/04/68/40/570046840.db2.gz	SMEIBKQQBOLIMJ-WUODCYPWSA-N	2	0	458.731	4.680	40	0		JJABRP
CC(C)(CCCCC(C)(C)[NH2+]C[C@@H]1COc2ccccc2O1)[NH2+]C[C@@H]1COc2ccccc2O1	ZINC000001636962	194130052	/nfs/dbraw/zinc/13/00/52/194130052.db2.gz	GSPQBCGZCISGEM-FGZHOGPDSA-N	2	0	468.638	4.963	40	0		JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000034721117	569652448	/nfs/dbraw/zinc/65/24/48/569652448.db2.gz	OEODSVAFZNVWBR-AWVRMFGXSA-N	3	0	453.671	4.543	40	0		JJABRP
C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3)cc2)cc1	ZINC000001720639	194132216	/nfs/dbraw/zinc/13/22/16/194132216.db2.gz	UTNLBWFBAVTJPJ-UHFFFAOYSA-P	2	0	476.584	4.811	40	0		JJABRP
CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429927	520637784	/nfs/dbraw/zinc/63/77/84/520637784.db2.gz	LIQAZDUOOUAOCS-GORZGEDYSA-N	3	0	466.714	4.574	40	0		JJABRP
CCC(CC)(C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001646554	194130471	/nfs/dbraw/zinc/13/04/71/194130471.db2.gz	JKILEGTUUFNTJU-UHFFFAOYSA-N	2	0	470.577	4.948	40	0		JJABRP
CC(C)(C)[NH+]1CCOCN2CCCC[C@H]2CC[N@H+](C(C)(C)C)CCOCN2CCCC[C@H]2CC1	ZINC000005463187	518714124	/nfs/dbraw/zinc/71/41/24/518714124.db2.gz	RIYKMJGEIUJKGZ-UIOOFZCWSA-N	2	0	480.782	4.638	40	0		JJABRP
CCCNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NCCC)cc3)cc2)cc1	ZINC000004803592	519865822	/nfs/dbraw/zinc/86/58/22/519865822.db2.gz	ODEFHIKJPLOLCK-UHFFFAOYSA-N	2	0	484.604	4.841	40	0		JJABRP
CCCCOCC[NH+](CCCC)CCOCCOCC[N@@H+](CCCC)CCOCCCC	ZINC000016638749	520760502	/nfs/dbraw/zinc/76/05/02/520760502.db2.gz	GLMVJBXRNQRNPS-UHFFFAOYSA-N	2	0	460.744	4.857	40	0		JJABRP
C[NH+](C)[C@H]1CC2(CC[NH+](Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257303176	570139359	/nfs/dbraw/zinc/13/93/59/570139359.db2.gz	SGBWCTJUYQAFIV-YTMVLYRLSA-N	2	0	480.693	4.999	40	0		JJABRP
CCN(C(=O)c1cccc(Cn2ccnc2)c1)[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257318277	570143952	/nfs/dbraw/zinc/14/39/52/570143952.db2.gz	VNFIQBWCWFPVLP-HHHXNRCGSA-N	2	0	472.633	4.607	40	0		JJABRP
O=C1O[C@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1ccccc1OCC[NH+]1CCCC1)CC2	ZINC000257333389	570148537	/nfs/dbraw/zinc/14/85/37/570148537.db2.gz	YBINHMWCIXSAJU-HHHXNRCGSA-N	2	0	467.585	4.682	40	0		JJABRP
CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429929	520636918	/nfs/dbraw/zinc/63/69/18/520636918.db2.gz	LIQAZDUOOUAOCS-CVTHJCAOSA-N	3	0	466.714	4.574	40	0		JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000008856271	554752335	/nfs/dbraw/zinc/75/23/35/554752335.db2.gz	OEODSVAFZNVWBR-MRJKTFCFSA-N	3	0	453.671	4.543	40	0		JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000015162199	555881036	/nfs/dbraw/zinc/88/10/36/555881036.db2.gz	OEODSVAFZNVWBR-JWZKTCGFSA-N	3	0	453.671	4.543	40	0		JJABRP
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H]([NH+]5CCCCC5)C[C@@]43C)[C@@H]1C[C@@H]([NH+]1CCCCC1)[C@@H]2O	ZINC000231915657	570046824	/nfs/dbraw/zinc/04/68/24/570046824.db2.gz	SMEIBKQQBOLIMJ-YVAIYOPTSA-N	2	0	458.731	4.680	40	0		JJABRP
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H]([NH+]5CCCCC5)C[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCCC1)[C@@H]2O	ZINC000231915661	570046837	/nfs/dbraw/zinc/04/68/37/570046837.db2.gz	SMEIBKQQBOLIMJ-BXKHFFHFSA-N	2	0	458.731	4.680	40	0		JJABRP
CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000257326802	570146563	/nfs/dbraw/zinc/14/65/63/570146563.db2.gz	WYQGLOXAQKQLSU-MHZLTWQESA-N	2	0	456.602	4.750	40	0		JJABRP
CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000015150941	555880672	/nfs/dbraw/zinc/88/06/72/555880672.db2.gz	DTGZHCFJNDAHEN-WFHHURNRSA-N	2	0	466.622	4.640	40	0	biogenic,in-vitro	JJABRP
COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000257286414	570134642	/nfs/dbraw/zinc/13/46/42/570134642.db2.gz	PLNGGTKPJTXYFP-UHFFFAOYSA-N	2	0	452.639	4.838	40	0		JJABRP
CCCC(C)(C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001646558	194130511	/nfs/dbraw/zinc/13/05/11/194130511.db2.gz	ZCTZBQHPRYRRCE-UHFFFAOYSA-N	2	0	470.577	4.948	40	0		JJABRP
CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000252078476	560040801	/nfs/dbraw/zinc/04/08/01/560040801.db2.gz	DTGZHCFJNDAHEN-LFUSFCIXSA-N	2	0	466.622	4.640	40	0	biogenic,in-vitro	JJABRP
Cc1ccccc1C[NH+]1CCc2nc3cc([C@@H]4CCC[N@@H+](Cc5ccccc5C)C4)[n-]n3c(=O)c2C1	ZINC000100493047	569762222	/nfs/dbraw/zinc/76/22/22/569762222.db2.gz	SVFLYGUEHUXGJZ-RUZDIDTESA-N	2	0	481.644	4.990	40	0		JJABRP
CCN(C(=O)c1cccc(Cn2ccnc2)c1)[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257318278	570143985	/nfs/dbraw/zinc/14/39/85/570143985.db2.gz	VNFIQBWCWFPVLP-MHZLTWQESA-N	2	0	472.633	4.607	40	0		JJABRP
CCC(C)(C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1	ZINC000001646555	194130636	/nfs/dbraw/zinc/13/06/36/194130636.db2.gz	UNVMWDDPQYABQX-UHFFFAOYSA-N	2	0	456.550	4.558	40	0		JJABRP
CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000003871989	194365542	/nfs/dbraw/zinc/36/55/42/194365542.db2.gz	DTGZHCFJNDAHEN-OZEXIGSWSA-N	2	0	466.622	4.640	40	0	biogenic,in-vitro	JJABRP
O=C(c1ccccc1)c1cc[n+](CCCCCC[n+]2ccc(C(=O)c3ccccc3)cc2)cc1	ZINC000016476978	526798108	/nfs/dbraw/zinc/79/81/08/526798108.db2.gz	UTTAFNHTAXZXNA-UHFFFAOYSA-N	2	0	450.582	4.984	40	0		JJABRP
CCn1c(C)[n+](CCOCC[n+]2c(C)n(CC)c3ccc(Cl)cc32)c2cc(Cl)ccc21	ZINC000001951379	554006593	/nfs/dbraw/zinc/00/65/93/554006593.db2.gz	WYQDNSSSTRGGDY-UHFFFAOYSA-N	2	0	461.437	4.851	40	0		JJABRP
C[NH+](C)[C@H]1CC2(CC[NH+](Cc3ccc(C(C)(C)C)cc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257235671	570118887	/nfs/dbraw/zinc/11/88/87/570118887.db2.gz	GYVWUWDOKMKZMO-YTMVLYRLSA-N	2	0	480.693	4.999	40	0		JJABRP
COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000257243000	570121071	/nfs/dbraw/zinc/12/10/71/570121071.db2.gz	IFDJXLYGRZXYFS-UHFFFAOYSA-N	2	0	467.437	4.994	40	0		JJABRP
COc1cc(C[N@@H+]2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1ccnc1	ZINC000257268456	570129132	/nfs/dbraw/zinc/12/91/32/570129132.db2.gz	MLSVAQLSNUDDLN-MUUNZHRXSA-N	2	0	497.611	4.950	40	0		JJABRP
COc1cc(C[N@@H+]2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OCCCn1ccnc1	ZINC000257268457	570129144	/nfs/dbraw/zinc/12/91/44/570129144.db2.gz	MLSVAQLSNUDDLN-NDEPHWFRSA-N	2	0	497.611	4.950	40	0		JJABRP
C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccc(F)cc1	ZINC000257319019	570144231	/nfs/dbraw/zinc/14/42/31/570144231.db2.gz	VQIZIQAWVTUAID-ASUDMDKOSA-N	2	0	451.630	4.811	40	0		JJABRP
CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000257326801	570146501	/nfs/dbraw/zinc/14/65/01/570146501.db2.gz	WYQGLOXAQKQLSU-HHHXNRCGSA-N	2	0	456.602	4.750	40	0		JJABRP
O=C1O[C@@]2(CN1c1ccc(F)cc1)CCC[N@H+](Cc1ccccc1OCC[NH+]1CCCC1)CC2	ZINC000257333390	570148593	/nfs/dbraw/zinc/14/85/93/570148593.db2.gz	YBINHMWCIXSAJU-MHZLTWQESA-N	2	0	467.585	4.682	40	0		JJABRP
CC(C)(CCCCC(C)(C)[NH2+]C[C@H]1COc2ccccc2O1)[NH2+]C[C@@H]1COc2ccccc2O1	ZINC000001636960	194130067	/nfs/dbraw/zinc/13/00/67/194130067.db2.gz	GSPQBCGZCISGEM-SZPZYZBQSA-N	2	0	468.638	4.963	40	0		JJABRP
CC[NH+](CC)CCOC(=O)c1c(C)oc2cc3c(cc21)oc(C)c3C(=O)OCC[NH+](CC)CC	ZINC000005463529	520692796	/nfs/dbraw/zinc/69/27/96/520692796.db2.gz	OHBRYBYQENMCNB-UHFFFAOYSA-N	2	0	472.582	4.793	40	0		JJABRP
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H]([NH+]5CCCCC5)C[C@@]43C)[C@@H]1C[C@@H]([NH+]1CCCCC1)[C@H]2O	ZINC000231915646	570046830	/nfs/dbraw/zinc/04/68/30/570046830.db2.gz	SMEIBKQQBOLIMJ-FBZPPJQTSA-N	2	0	458.731	4.680	40	0		JJABRP
CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2)C[N@@H+]3Cc2ccccc2)o1	ZINC000257293623	570136573	/nfs/dbraw/zinc/13/65/73/570136573.db2.gz	QQKGEOSTRXTHNZ-TWJOJJKGSA-N	2	0	461.581	4.611	40	0		JJABRP
CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000003871988	194365609	/nfs/dbraw/zinc/36/56/09/194365609.db2.gz	DTGZHCFJNDAHEN-YSFUMNCJSA-N	2	0	466.622	4.640	40	0	biogenic,in-vitro	JJABRP
CC(C)(C)[NH+]1CCOCN2CCCC[C@H]2CC[N@H+](C(C)(C)C)CCOCN2CCCC[C@@H]2CC1	ZINC000005463191	518712500	/nfs/dbraw/zinc/71/25/00/518712500.db2.gz	RIYKMJGEIUJKGZ-WMPKNSHKSA-N	2	0	480.782	4.638	40	0		JJABRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429928	520630666	/nfs/dbraw/zinc/63/06/66/520630666.db2.gz	LIQAZDUOOUAOCS-RNUNDPJYSA-N	3	0	466.714	4.574	40	0		JJABRP
CCNC(=[NH2+])c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(C(=[NH2+])NCC)cc3)cc2)cc1	ZINC000004803148	521731606	/nfs/dbraw/zinc/73/16/06/521731606.db2.gz	AIHWEUVBIBOAFO-UHFFFAOYSA-N	2	0	486.580	4.844	40	0		JJABRP
O=c1c(-c2ccccc2CN2CCOCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1	ZINC000020503637	527449680	/nfs/dbraw/zinc/44/96/80/527449680.db2.gz	ULVXLZRKUGACBZ-WIOPSUGQSA-N	2	0	495.623	4.713	40	0	biogenic,in-vitro	JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000015162196	555881057	/nfs/dbraw/zinc/88/10/57/555881057.db2.gz	OEODSVAFZNVWBR-SXDGJLEOSA-N	3	0	453.671	4.543	40	0		JJABRP
CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1[NH2+]CCc2cc(O)c(OC)cc21	ZINC000097974162	560053271	/nfs/dbraw/zinc/05/32/71/560053271.db2.gz	DTGZHCFJNDAHEN-POWYHZRHSA-N	2	0	466.622	4.640	40	0	biogenic,in-vitro	JJABRP
O=c1c2c(nc3cc([C@@H]4CCC[N@H+](Cc5ccccc5F)C4)[n-]n31)CCN(Cc1ccccc1F)C2	ZINC000100493042	569762184	/nfs/dbraw/zinc/76/21/84/569762184.db2.gz	XXVKMQPQNAZQFD-OAQYLSRUSA-N	2	0	489.570	4.651	40	0		JJABRP
COc1ccc(C[N@H+](CCC[NH3+])CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000008955645	554836826	/nfs/dbraw/zinc/83/68/26/554836826.db2.gz	OEODSVAFZNVWBR-IWHLBADBSA-N	3	0	453.671	4.543	40	0		JJABRP
C[NH2+][C@H]1CC2(CC[NH+](Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC2)OC[C@]1(C)O	ZINC000257264025	570127638	/nfs/dbraw/zinc/12/76/38/570127638.db2.gz	LSODFOFPJAPOJK-XCZPVHLTSA-N	2	0	466.666	4.657	40	0		JJABRP