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)[NH+](CC[C@@](CC[NH+](C)C)(C(N)=O)c1ccc(F)cc1)C(C)C	ZINC000039254146	205044695	/nfs/dbraw/zinc/04/46/95/205044695.db2.gz	BZZWTVXXGMTZOC-HXUWFJFHSA-N	2	0	351.510	3.009	1	0		FGAFRP
C(=C/c1ccc(C2=[NH+]CCN2)cc1)\c1cc2cc(C3=[NH+]CCN3)ccc2[nH]1	ZINC000006535146	204252436	/nfs/dbraw/zinc/25/24/36/204252436.db2.gz	IFIQGPILYMBCSN-XVNBXDOJSA-N	2	0	355.445	3.038	1	0		FGAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCSC[C@H]12	ZINC000028523076	581100872	/nfs/dbraw/zinc/10/08/72/581100872.db2.gz	SEVLWERLWNROPL-RBUKOAKNSA-N	2	0	369.534	3.206	1	0		FGAFRP
NC(=[NH2+])c1ccc(NCCCCCCNc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000005161828	204195183	/nfs/dbraw/zinc/19/51/83/204195183.db2.gz	RHYWFDWSRHYNPS-UHFFFAOYSA-N	2	0	352.486	3.339	1	0		FGAFRP
c1cc(-c2cccc(C3=[NH+]CCN3)c2)oc1-c1cccc(C2=[NH+]CCN2)c1	ZINC000006525382	204251715	/nfs/dbraw/zinc/25/17/15/204251715.db2.gz	KSLFYYAKRHCZGA-UHFFFAOYSA-N	2	0	356.429	3.313	1	0		FGAFRP
[NH3+]CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1	ZINC000036216358	205009351	/nfs/dbraw/zinc/00/93/51/205009351.db2.gz	WBHIZNRNVFOZMJ-UHFFFAOYSA-N	2	0	351.494	3.076	1	0	in-vivo	FGAFRP
C=C(c1c(Cl)cc(Cl)cc1OC[C@H](O)C[NH2+]C(C)C)n1ccnc1	ZINC000040466255	208254938	/nfs/dbraw/zinc/25/49/38/208254938.db2.gz	GPFBLKJURPGHRB-CQSZACIVSA-N	2	0	370.280	3.447	1	0		FGAFRP
C[NH2+]CCNC[C@H](Cc1cccc2ccccc21)[NH2+]CCc1ccccc1	ZINC000061959724	208602239	/nfs/dbraw/zinc/60/22/39/208602239.db2.gz	DTOHMAHPFQUQPC-QHCPKHFHSA-N	2	0	361.533	3.392	3	0		FGAFRP
Cn1c2ccc(-c3ccc(C(N)=[NH2+])cc3)cc2nc1-c1ccc(C(N)=[NH2+])cc1	ZINC000071280906	208760457	/nfs/dbraw/zinc/76/04/57/208760457.db2.gz	POPVZFPRXSYKAZ-UHFFFAOYSA-N	2	0	368.444	3.475	1	0		FGAFRP
NC(=[NH2+])c1ccc(Oc2cc(N)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1	ZINC000114708157	209340640	/nfs/dbraw/zinc/34/06/40/209340640.db2.gz	BQECTQJDEWVZMP-UHFFFAOYSA-N	2	0	361.405	3.422	1	0		FGAFRP
Brc1cccc[n+]1C/C=C/C[n+]1ccccc1Br	ZINC000036382674	208160502	/nfs/dbraw/zinc/16/05/02/208160502.db2.gz	UAIMUFWNISZXOX-AATRIKPKSA-N	2	0	370.088	3.043	1	0		FGAFRP
C=C(c1cc(Cl)c(Cl)cc1OC[C@H](O)C[NH2+]C(C)C)n1ccnc1	ZINC000040503660	208255071	/nfs/dbraw/zinc/25/50/71/208255071.db2.gz	VKKKAZNAQXHEOG-CYBMUJFWSA-N	2	0	370.280	3.447	1	0		FGAFRP
Cc1cc(C(N)=[NH2+])cn2cc(-c3ccc(-c4ccc(C(N)=[NH2+])cc4)o3)nc12	ZINC000027190689	207927107	/nfs/dbraw/zinc/92/71/07/207927107.db2.gz	BPRKMPXUHWFKSO-UHFFFAOYSA-N	2	0	358.405	3.138	1	0		FGAFRP
CC[C@@H](CCON1C(=N)NC(=[NH2+])NC1(C)C)c1ccc(Cl)c(Cl)c1	ZINC000045228794	208327718	/nfs/dbraw/zinc/32/77/18/208327718.db2.gz	AEZXDRYDBUGWAL-JTQLQIEISA-N	2	0	372.300	3.490	1	0		FGAFRP
NC(=[NH2+])c1cccc(OCc2ccc(COc3cccc(C(N)=[NH2+])c3)cc2)c1	ZINC000043068149	211787317	/nfs/dbraw/zinc/78/73/17/211787317.db2.gz	VZBYGTBFXAEWJT-UHFFFAOYSA-N	2	0	374.444	3.413	1	0		FGAFRP
c1c2ccc(C3=[NH+]CCCN3)cc2[nH]c1-c1ccc(C2=[NH+]CCCN2)cc1	ZINC000049802642	211895394	/nfs/dbraw/zinc/89/53/94/211895394.db2.gz	GANQCOXPWPCBFN-UHFFFAOYSA-N	2	0	357.461	3.315	1	0		FGAFRP
NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4cccc(C(N)=[NH2+])c4)cc3)nc2c1	ZINC000058639172	212011818	/nfs/dbraw/zinc/01/18/18/212011818.db2.gz	JTEAXLWMBHFLPI-UHFFFAOYSA-N	2	0	354.417	3.465	1	0	in-vitro	FGAFRP
FC(F)(F)c1nc2c(cccc2-[n+]2cc[n+](Cc3ccccc3)cc2)[nH]1	ZINC000098085495	222227732	/nfs/dbraw/zinc/22/77/32/222227732.db2.gz	ZVPRVTLQVCJGOP-UHFFFAOYSA-O	2	0	356.351	3.194	1	0		FGAFRP
[NH3+]CCCCN(C[C@H]1[NH2+]CCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242137	222328319	/nfs/dbraw/zinc/32/83/19/222328319.db2.gz	UFBUAAGSLDNFTI-YADHBBJMSA-N	2	0	364.537	3.387	1	0		FGAFRP
[NH3+]CCCCN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCCc2cccnc21	ZINC000103242141	222327608	/nfs/dbraw/zinc/32/76/08/222327608.db2.gz	MYCKNKHATQGHEV-VXKWHMMOSA-N	2	0	364.537	3.214	1	0		FGAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCSC[C@H]12	ZINC000028523077	581100817	/nfs/dbraw/zinc/10/08/17/581100817.db2.gz	SEVLWERLWNROPL-OALUTQOASA-N	2	0	369.534	3.206	1	0		FGAFRP
O=c1ccc2cc(OCCC[NH2+]C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2o1	ZINC000071295820	221341788	/nfs/dbraw/zinc/34/17/88/221341788.db2.gz	QGYFXRKMAMPCLQ-AZUAARDMSA-N	2	0	370.493	3.416	1	0		FGAFRP
CCC(=O)N(CCCCCC[NH3+])C1CC[NH+](CCc2ccccc2)CC1	ZINC000066112135	205363620	/nfs/dbraw/zinc/36/36/20/205363620.db2.gz	GPIJRUUDMRVRFP-UHFFFAOYSA-N	2	0	359.558	3.451	1	0		FGAFRP
O=[N+]([O-])OCC[NH2+]CCCCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000040829313	205083400	/nfs/dbraw/zinc/08/34/00/205083400.db2.gz	GHDICATYJWELDK-UHFFFAOYSA-N	2	0	372.469	3.494	1	0		FGAFRP
NC(=[NH2+])c1ccc(-c2ccc3cc(-c4cnccc4C(N)=[NH2+])[nH]c3c2)cc1	ZINC000071294731	205426126	/nfs/dbraw/zinc/42/61/26/205426126.db2.gz	SZECCNIYJCUPQP-UHFFFAOYSA-N	2	0	354.417	3.465	1	0		FGAFRP
CN(C)c1cc[n+](CCCCCCCC[n+]2ccc(N(C)C)cc2)cc1	ZINC000169327280	206250494	/nfs/dbraw/zinc/25/04/94/206250494.db2.gz	YJTHCWAQPFXUDC-UHFFFAOYSA-N	2	0	356.558	3.434	1	0		FGAFRP
CN(C)c1ccc(-n2c(N)[nH+]c3cc(OCCC[NH+](C)C)ccc32)cc1	ZINC000169328344	206252374	/nfs/dbraw/zinc/25/23/74/206252374.db2.gz	PISUSGBVXHEPKA-UHFFFAOYSA-N	2	0	353.470	3.004	1	0		FGAFRP
NC(=[NH2+])SCc1cccc2c1-c1c(cccc1CSC(N)=[NH2+])C2=O	ZINC000101513646	205962153	/nfs/dbraw/zinc/96/21/53/205962153.db2.gz	FNXISSGFJKJMKY-UHFFFAOYSA-N	2	0	356.476	3.151	1	0		FGAFRP
Cc1nn(C)c2nc3ccccc3c(NCCC[N@H+](C)CCC[NH+](C)C)c12	ZINC000169328576	206252212	/nfs/dbraw/zinc/25/22/12/206252212.db2.gz	DMKYIPIXGFIGMP-UHFFFAOYSA-N	2	0	368.529	3.115	1	0		FGAFRP
NC(=[NH2+])c1ccc(-c2ccc3cc(-c4cc(C(N)=[NH2+])ccn4)[nH]c3c2)cc1	ZINC000071294573	205425835	/nfs/dbraw/zinc/42/58/35/205425835.db2.gz	LCWBZFJMGCFVFE-UHFFFAOYSA-N	2	0	354.417	3.465	1	0		FGAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	ZINC000001655284	204016956	/nfs/dbraw/zinc/01/69/56/204016956.db2.gz	ATSBWPZLUVEKIQ-HNNXBMFYSA-N	2	0	354.479	3.358	1	0		FGAFRP
C[NH2+]C[C@@H](Cc1ccc(O)cc1)N1CC[NH+](CC2CCCCCC2)CC1	ZINC000045299559	205118720	/nfs/dbraw/zinc/11/87/20/205118720.db2.gz	VIZPWAKCVQHRAX-OAQYLSRUSA-N	2	0	359.558	3.111	1	0		FGAFRP
O=C1C[C@H](c2ccccc2)CN1c1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1	ZINC000169347301	132261775	/nfs/dbraw/zinc/26/17/75/132261775.db2.gz	DLCABXCLMCCNAX-SFHVURJKSA-N	2	0	372.472	3.165	1	0		FGAFRP
CC(C)[NH+](CC[C@@](CCC[NH+](C)C)(C(N)=O)c1ccccc1F)C(C)C	ZINC000040632284	208261375	/nfs/dbraw/zinc/26/13/75/208261375.db2.gz	LNFBPEXSWJEXTN-OAQYLSRUSA-N	2	0	365.537	3.400	1	0		FGAFRP
NC(=[NH2+])c1cccc(OCc2cccc(COc3cccc(C(N)=[NH2+])c3)c2)c1	ZINC000043070719	208299690	/nfs/dbraw/zinc/29/96/90/208299690.db2.gz	XGOPZFQTYIEFBZ-UHFFFAOYSA-N	2	0	374.444	3.413	1	0		FGAFRP
O=C1C[C@@H](c2ccccc2)CN1c1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1	ZINC000169347299	132261736	/nfs/dbraw/zinc/26/17/36/132261736.db2.gz	DLCABXCLMCCNAX-GOSISDBHSA-N	2	0	372.472	3.165	1	0		FGAFRP
C[NH+](C)C[C@@H](CSCC[NH3+])C(=O)c1ccc(OCc2ccccc2)cc1	ZINC000013741931	207482909	/nfs/dbraw/zinc/48/29/09/207482909.db2.gz	KYKIJIXHKSKLSD-IBGZPJMESA-N	2	0	372.534	3.318	1	0		FGAFRP
NC(=[NH2+])c1ccc(OCc2cccc(COc3ccc(C(N)=[NH2+])cc3)c2)cc1	ZINC000028972348	211502687	/nfs/dbraw/zinc/50/26/87/211502687.db2.gz	OHCPXJHKRQZPCL-UHFFFAOYSA-N	2	0	374.444	3.413	1	0		FGAFRP
C[NH+](C)CCCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1	ZINC000169318082	210175731	/nfs/dbraw/zinc/17/57/31/210175731.db2.gz	IJSIBXVLNRATNY-GGAORHGYSA-N	2	0	366.505	3.031	1	0		FGAFRP
S=C1C[C@@H]([NH2+]Cc2ccccc2)C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34	ZINC000064750433	212043079	/nfs/dbraw/zinc/04/30/79/212043079.db2.gz	HUOPJLBMDGZQDP-WXOXAHCZSA-N	2	0	369.578	3.441	1	0		FGAFRP
[NH3+][C@@H]1[C@H]2C[N@@H+](CCCNc3c4ccccc4[nH+]c4c3CCCCC4)C[C@H]21	ZINC000100819951	222254668	/nfs/dbraw/zinc/25/46/68/222254668.db2.gz	JHOKRRBMPVAKAN-WGMWDUQUSA-N	3	0	350.510	3.195	1	0		FGAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCSC[C@@H]12	ZINC000169351328	581100852	/nfs/dbraw/zinc/10/08/52/581100852.db2.gz	SEVLWERLWNROPL-MOPGFXCFSA-N	2	0	369.534	3.206	1	0		FGAFRP
NC(=[NH2+])c1ccc(-c2nc3cc(-c4ccc(C(N)=[NH2+])cc4)ccc3[nH]2)cc1	ZINC000071295171	221340656	/nfs/dbraw/zinc/34/06/56/221340656.db2.gz	PHJDIHHRXDMKMB-UHFFFAOYSA-N	2	0	354.417	3.465	1	0		FGAFRP
O[C@@H]1CCCC[C@H]1[NH+]1CCC(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000028234885	220566839	/nfs/dbraw/zinc/56/68/39/220566839.db2.gz	IJSVCSABISGUBT-YSFYHYPLSA-N	2	0	364.574	3.017	1	0		FGAFRP
[NH3+]CCCCN(C[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242143	222328394	/nfs/dbraw/zinc/32/83/94/222328394.db2.gz	UFBUAAGSLDNFTI-VXKWHMMOSA-N	2	0	364.537	3.387	1	0		FGAFRP
O=C1NC(CCC[N@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCSC[C@@H]12	ZINC000058550492	581100857	/nfs/dbraw/zinc/10/08/57/581100857.db2.gz	SEVLWERLWNROPL-RTBURBONSA-N	2	0	369.534	3.206	1	0		FGAFRP