smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(CC(=O)NC[C@]2(O)CCC[NH2+]C2)CC1	ZINC001506399652	893932452	/nfs/dbraw/zinc/93/24/52/893932452.db2.gz	BVRXKCPWHCVLQE-AWEZNQCLSA-N	2	0	284.404	-1.145	50	0		CAAARP
Nc1n[nH]c(CCNC(=O)C23C[NH2+]CC2C[NH2+]C3)n1	ZINC000096148092	185106404	/nfs/dbraw/zinc/10/64/04/185106404.db2.gz	JEGVLTGKTDZTLI-UHFFFAOYSA-N	2	0	265.321	-2.145	50	0		CAAARP
Cn1nnnc1SCCNC(=O)C12C[NH2+]CC1C[NH2+]C2	ZINC000097784802	372897017	/nfs/dbraw/zinc/89/70/17/372897017.db2.gz	KOQZSDXJRSUORP-UHFFFAOYSA-N	2	0	297.388	-1.773	50	0		CAAARP
C[N@@H+]1CC[C@@H](C(=O)NCc2nnc3n2CC[NH2+]CC3)C1	ZINC000299783127	373458754	/nfs/dbraw/zinc/45/87/54/373458754.db2.gz	QTDMJTNBIVSIBY-SNVBAGLBSA-N	2	0	278.360	-1.008	50	0		CAAARP
C[NH2+][C@H]1CCCN(C(=O)CN2CCNCC2=O)C1	ZINC000151045719	373627669	/nfs/dbraw/zinc/62/76/69/373627669.db2.gz	GNLMRGLWBXLUPG-JTQLQIEISA-N	2	0	254.334	-1.371	50	0		CAAARP
C[NH+](C)[C@H]1CN(c2nc(N)nc3c2CC[NH2+]CC3)C[C@@H]1O	ZINC000072410084	176398478	/nfs/dbraw/zinc/39/84/78/176398478.db2.gz	XWWZAOZYECOCGK-RYUDHWBXSA-N	2	0	292.387	-1.142	50	0		CAAARP
[NH3+]CCn1cc(C(=O)NC[C@@H](O)CN2CC[NH2+]CC2)nn1	ZINC000077486793	177274286	/nfs/dbraw/zinc/27/42/86/177274286.db2.gz	BTNWLUFXOGPKRN-SNVBAGLBSA-N	2	0	297.363	-2.767	50	0		CAAARP
[NH3+]CCn1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)nn1	ZINC000077505608	177276338	/nfs/dbraw/zinc/27/63/38/177276338.db2.gz	JHGWFZXECLPXCC-NSHDSACASA-N	2	0	296.375	-1.187	50	0		CAAARP
C[N@@H+]1CCCN(CC(=O)NC[C@]2(O)CCC[NH2+]C2)CC1	ZINC000534576073	328309829	/nfs/dbraw/zinc/30/98/29/328309829.db2.gz	HUCIWDIQJSSLNY-AWEZNQCLSA-N	2	0	284.404	-1.145	50	0		CAAARP
C[N@@H+]1CCCN(CC(=O)NC[C@@]2(O)CCC[NH2+]C2)CC1	ZINC000534576086	328309944	/nfs/dbraw/zinc/30/99/44/328309944.db2.gz	HUCIWDIQJSSLNY-CQSZACIVSA-N	2	0	284.404	-1.145	50	0		CAAARP
CN1C(=O)[C@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]2C1=O	ZINC000670438474	545574445	/nfs/dbraw/zinc/57/44/45/545574445.db2.gz	CMLPPFPHTNBVKH-AOOOYVTPSA-N	2	0	280.328	-2.035	50	0		CAAARP
[NH2+]=C1N[C@H]2[C@H](N1)N(C=O)[C@@H]1NC(=[NH2+])N[C@@H]1N2C=O	ZINC000015134559	283270310	/nfs/dbraw/zinc/27/03/10/283270310.db2.gz	OFGLNUOVGCXFOI-KAZBKCHUSA-N	2	0	252.238	-3.733	50	0		CAAARP
C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C(CO)CO)CC[C@H]21	ZINC000072453770	372873515	/nfs/dbraw/zinc/87/35/15/372873515.db2.gz	ZRPZIKQSFQORCP-WCQYABFASA-N	2	0	285.388	-1.128	50	0		CAAARP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]([NH3+])C2)CC1=O	ZINC000237161816	372912690	/nfs/dbraw/zinc/91/26/90/372912690.db2.gz	YEFAPOIBURIUOY-MNOVXSKESA-N	2	0	268.361	-1.044	50	0		CAAARP
C[NH+](C)CCNc1c(=O)c(=O)c1NCCN1CC[NH2+]CC1	ZINC000101696206	373593968	/nfs/dbraw/zinc/59/39/68/373593968.db2.gz	HKSSHIQIACVJCW-UHFFFAOYSA-N	2	0	295.387	-1.427	50	0		CAAARP
C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]([NH3+])C2)CC1=O	ZINC000237161787	373833314	/nfs/dbraw/zinc/83/33/14/373833314.db2.gz	YEFAPOIBURIUOY-GHMZBOCLSA-N	2	0	268.361	-1.044	50	0		CAAARP
C1C[NH2+]CCNCC[NH2+]CCNCC[NH2+]CCN1	ZINC000019594727	277759586	/nfs/dbraw/zinc/75/95/86/277759586.db2.gz	RVJABZUDCPZPPM-UHFFFAOYSA-N	3	0	258.414	-2.462	50	0		CAAARP
CC[NH+]1CCN(CC(=O)N[C@H]2C[NH2+]C[C@@H]2OC)CC1	ZINC000534646480	328329270	/nfs/dbraw/zinc/32/92/70/328329270.db2.gz	ZCPVPUZIDJNDKK-RYUDHWBXSA-N	2	0	270.377	-1.273	50	0		CAAARP
CCNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1	ZINC000670446010	545574357	/nfs/dbraw/zinc/57/43/57/545574357.db2.gz	HHJYRUPXTZVNBX-LLVKDONJSA-N	2	0	268.361	-1.124	50	0		CAAARP
[NH2+]=C1N[C@H]2[C@@H](N1)N(C=O)[C@@H]1NC(=[NH2+])N[C@H]1N2C=O	ZINC000019805539	283270253	/nfs/dbraw/zinc/27/02/53/283270253.db2.gz	OFGLNUOVGCXFOI-OMMKOOBNSA-N	2	0	252.238	-3.733	50	0		CAAARP
O=C(NCCCN1CCNC(=O)C1)C12C[NH2+]CC1C[NH2+]C2	ZINC000065534867	372859652	/nfs/dbraw/zinc/85/96/52/372859652.db2.gz	KPPKDLICTVRIRX-UHFFFAOYSA-N	2	0	295.387	-2.267	50	0		CAAARP
C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@H]([NH3+])C2)CC1=O	ZINC000237160182	372911173	/nfs/dbraw/zinc/91/11/73/372911173.db2.gz	YEFAPOIBURIUOY-QWRGUYRKSA-N	2	0	268.361	-1.044	50	0		CAAARP
OCC[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](CCO)CC3)C1	ZINC000257190940	372917674	/nfs/dbraw/zinc/91/76/74/372917674.db2.gz	OIEZAVFTFVILCD-GFCCVEGCSA-N	2	0	295.387	-1.090	50	0		CAAARP
CC(C)[NH+]1CCN(CCC[NH2+]C(CO)(CO)CO)CC1	ZINC000408523716	372926444	/nfs/dbraw/zinc/92/64/44/372926444.db2.gz	MOWOJTBLYPYMCC-UHFFFAOYSA-N	2	0	289.420	-1.292	50	0		CAAARP
C[NH+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000075251346	373620322	/nfs/dbraw/zinc/62/03/22/373620322.db2.gz	VYYNKSFJPUHVNE-UHFFFAOYSA-N	2	0	256.350	-1.220	50	0		CAAARP
CNS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2	ZINC000065399021	373778770	/nfs/dbraw/zinc/77/87/70/373778770.db2.gz	AHANPPROMKAISC-MWLCHTKSSA-N	2	0	290.389	-2.197	50	0		CAAARP
C1C[NH2+]CCOCCOCCOCC[NH2+]CCN1	ZINC000020057974	276852029	/nfs/dbraw/zinc/85/20/29/276852029.db2.gz	POLDHIFBYDWBCY-UHFFFAOYSA-N	2	0	261.366	-1.181	50	0		CAAARP
NC(=O)OC[C@@H]1NC(=[NH2+])N2CCC(O)(O)[C@@]23NC(=[NH2+])N[C@@H]13	ZINC000008552277	303232332	/nfs/dbraw/zinc/23/23/32/303232332.db2.gz	RPQXVSUAYFXFJA-HGRQIUPRSA-N	2	0	299.291	-3.433	50	0	endogenous,in-man	CAAARP
CC[NH+]1CCN(CC(=O)NC[C@@]2(O)CCC[NH2+]C2)CC1	ZINC001506399653	893931494	/nfs/dbraw/zinc/93/14/94/893931494.db2.gz	BVRXKCPWHCVLQE-CQSZACIVSA-N	2	0	284.404	-1.145	50	0		CAAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCn2ccnn2)C1	ZINC000096162608	372892484	/nfs/dbraw/zinc/89/24/84/372892484.db2.gz	AXLMXBDNJUHTTH-DGCLKSJQSA-N	2	0	278.360	-1.064	50	0		CAAARP
OCC[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](CCO)CC3)C1	ZINC000257190942	372917155	/nfs/dbraw/zinc/91/71/55/372917155.db2.gz	OIEZAVFTFVILCD-LBPRGKRZSA-N	2	0	295.387	-1.090	50	0		CAAARP
C[N@@H+]1CC[C@H](C(=O)NCc2nnc3n2CC[NH2+]CC3)C1	ZINC000299783113	373458505	/nfs/dbraw/zinc/45/85/05/373458505.db2.gz	QTDMJTNBIVSIBY-JTQLQIEISA-N	2	0	278.360	-1.008	50	0		CAAARP
C[NH2+][C@@H]1CCCN(C(=O)CN2CCNCC2=O)C1	ZINC000151045664	373628207	/nfs/dbraw/zinc/62/82/07/373628207.db2.gz	GNLMRGLWBXLUPG-SNVBAGLBSA-N	2	0	254.334	-1.371	50	0		CAAARP
C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)CC1=O	ZINC000237160153	256850947	/nfs/dbraw/zinc/85/09/47/256850947.db2.gz	YEFAPOIBURIUOY-WDEREUQCSA-N	2	0	268.361	-1.044	50	0		CAAARP
O=C(CCN1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]C[C@H]1O	ZINC000072170576	176332952	/nfs/dbraw/zinc/33/29/52/176332952.db2.gz	HBVCJDZUCNRWSU-NWDGAFQWSA-N	2	0	270.377	-1.632	50	0		CAAARP
[NH3+]CCn1cc(C(=O)NC[C@H](O)CN2CC[NH2+]CC2)nn1	ZINC000077486791	177274606	/nfs/dbraw/zinc/27/46/06/177274606.db2.gz	BTNWLUFXOGPKRN-JTQLQIEISA-N	2	0	297.363	-2.767	50	0		CAAARP
[NH2+]=C1N[C@H]2[C@@H](N1)N(C=O)[C@@H]1NC(=[NH2+])N[C@@H]1N2C=O	ZINC000019805541	295024035	/nfs/dbraw/zinc/02/40/35/295024035.db2.gz	OFGLNUOVGCXFOI-RJYLNQFNSA-N	2	0	252.238	-3.733	50	0		CAAARP
[NH3+]CCn1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)nn1	ZINC000077505607	295241028	/nfs/dbraw/zinc/24/10/28/295241028.db2.gz	JHGWFZXECLPXCC-LLVKDONJSA-N	2	0	296.375	-1.187	50	0		CAAARP
[NH2+]=C1N[C@H]2[C@@H](N1)N(C=O)[C@H]1NC(=[NH2+])N[C@H]1N2C=O	ZINC000015134557	303232300	/nfs/dbraw/zinc/23/23/00/303232300.db2.gz	OFGLNUOVGCXFOI-GUCUJZIJSA-N	2	0	252.238	-3.733	50	0		CAAARP
CCNC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1	ZINC000670446011	545574078	/nfs/dbraw/zinc/57/40/78/545574078.db2.gz	HHJYRUPXTZVNBX-NSHDSACASA-N	2	0	268.361	-1.124	50	0		CAAARP
CC[NH+]1CCN(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)CC1	ZINC000823113002	776467107	/nfs/dbraw/zinc/46/71/07/776467107.db2.gz	YXVNENNEYGXHPG-VXGBXAGGSA-N	2	0	270.377	-1.537	50	0		CAAARP