smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CC[NH+](C)CC3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257328998	556705542	/nfs/dbraw/zinc/70/55/42/556705542.db2.gz	XHYMWOCTNPWVGL-GNKBHMEESA-N	2	0	442.648	1.933	40	0		IDABRP
CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@H+](C[C@@H]3CCOC3)C[C@H]2C1=O	ZINC000019526394	556784549	/nfs/dbraw/zinc/78/45/49/556784549.db2.gz	QSWFTKBHJKEMNY-WXVUKLJWSA-N	2	0	428.577	1.832	40	0		IDABRP
C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)CC1	ZINC000096267386	557193183	/nfs/dbraw/zinc/19/31/83/557193183.db2.gz	ZDIQVBQNWOUENI-UHFFFAOYSA-N	2	0	440.592	1.316	40	0		IDABRP
COc1cc(C[NH2+]C[C@]2(O)CCCN(c3cnccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585272074	557216825	/nfs/dbraw/zinc/21/68/25/557216825.db2.gz	IVOMZVWHYHPIPU-HSZRJFAPSA-N	2	0	429.565	1.937	40	0		IDABRP
COc1ccc(C[NH2+]CC(=O)N2CCN(C(=O)C[NH2+]Cc3ccc(OC)cc3)CC2)cc1	ZINC000057698651	557258893	/nfs/dbraw/zinc/25/88/93/557258893.db2.gz	HPRVWTWXKJFBNN-UHFFFAOYSA-N	2	0	440.544	1.254	40	0		IDABRP
C[NH+](C)CC(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1	ZINC000019699464	569230537	/nfs/dbraw/zinc/23/05/37/569230537.db2.gz	GWIQFSVVNRKXQL-UHFFFAOYSA-N	2	0	427.549	1.126	40	0		IDABRP
C[NH+](C)CCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000036384799	556307256	/nfs/dbraw/zinc/30/72/56/556307256.db2.gz	VFOFHICONNZTEU-UHFFFAOYSA-N	2	0	447.605	1.489	40	0		IDABRP
COc1cc(C[NH2+]C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OCCC[NH+](C)C	ZINC000257204220	556701592	/nfs/dbraw/zinc/70/15/92/556701592.db2.gz	ATPFEYLNMLBXBG-HSZRJFAPSA-N	2	0	429.565	1.937	40	0		IDABRP
COc1cc(C[N@@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCC[NH+](C)C	ZINC000257227102	556708610	/nfs/dbraw/zinc/70/86/10/556708610.db2.gz	FNQMZSSHBFVZLW-FAYOUJPWSA-N	2	0	449.592	1.645	40	0		IDABRP
CN(C)c1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)ncn1	ZINC000257310667	556718481	/nfs/dbraw/zinc/71/84/81/556718481.db2.gz	UGAQYVHUZKMQAI-QHCPKHFHSA-N	2	0	428.581	1.556	40	0		IDABRP
CN1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](CC(C)(C)CN2CC[NH+](C)CC2)CC=CC3)CC1	ZINC000023093266	557063122	/nfs/dbraw/zinc/06/31/22/557063122.db2.gz	UBXDXFKSRVHODZ-RCZVLFRGSA-N	2	0	431.669	1.835	40	0		IDABRP
COc1cc(C[NH2+]C[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585272080	557216661	/nfs/dbraw/zinc/21/66/61/557216661.db2.gz	IVOMZVWHYHPIPU-QHCPKHFHSA-N	2	0	429.565	1.937	40	0		IDABRP
C[C@@H]1CN(CCCc2nnc(CCCN3C[C@H](C)[NH2+][C@@H](C)C3)n2-n2cccc2)C[C@@H](C)[NH2+]1	ZINC000225153442	557692922	/nfs/dbraw/zinc/69/29/22/557692922.db2.gz	ZKUCFLTXOFGCFM-URSFVKLHSA-N	2	0	442.656	1.621	40	0		IDABRP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)[C@@H]3CCC[N@H+](C)C3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257277215	568700687	/nfs/dbraw/zinc/70/06/87/568700687.db2.gz	NWXNCKHJLZEZIC-DJOPODEESA-N	2	0	442.648	1.933	40	0		IDABRP
C[NH+](C)CCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000006198513	557150094	/nfs/dbraw/zinc/15/00/94/557150094.db2.gz	GJXWXTCGYSSGEI-UHFFFAOYSA-N	2	0	433.578	1.447	40	0		IDABRP
COc1cc(C[NH2+][C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585273049	557215478	/nfs/dbraw/zinc/21/54/78/557215478.db2.gz	OVSSKCYFRLNIMP-YPAWHYETSA-N	2	0	449.592	1.238	40	0		IDABRP
CC(=O)N1CCN(C[C@]2(O)CC[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)CC1	ZINC000585271786	557216385	/nfs/dbraw/zinc/21/63/85/557216385.db2.gz	HRNMUYXEMYLIHO-RUZDIDTESA-N	2	0	444.620	1.652	40	0		IDABRP
COc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585272001	557216811	/nfs/dbraw/zinc/21/68/11/557216811.db2.gz	IFRXWIFEQHFGOE-VXKWHMMOSA-N	2	0	433.593	1.683	40	0		IDABRP
C[C@@H]1CN(CCCc2nnc(CCCN3C[C@@H](C)[NH2+][C@@H](C)C3)n2-n2cccc2)C[C@H](C)[NH2+]1	ZINC000225153409	557692986	/nfs/dbraw/zinc/69/29/86/557692986.db2.gz	ZKUCFLTXOFGCFM-COPRSSIGSA-N	2	0	442.656	1.621	40	0		IDABRP
C[NH+](C)CCCNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000036384841	556307296	/nfs/dbraw/zinc/30/72/96/556307296.db2.gz	RKRJKAGIENIQPJ-UHFFFAOYSA-N	2	0	447.605	1.837	40	0		IDABRP
O[C@H](C[NH2+]Cc1ccccn1)COc1ccc(OC[C@H](O)C[NH2+]Cc2ccccn2)cc1	ZINC000006475567	556832624	/nfs/dbraw/zinc/83/26/24/556832624.db2.gz	AINKPOUJTGSPRM-FGZHOGPDSA-N	2	0	438.528	1.536	40	0		IDABRP
CC(=O)N1CCN(C[C@@]2(O)CC[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)CC1	ZINC000585271799	557216183	/nfs/dbraw/zinc/21/61/83/557216183.db2.gz	HRNMUYXEMYLIHO-VWLOTQADSA-N	2	0	444.620	1.652	40	0		IDABRP
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1	ZINC000585291448	557229015	/nfs/dbraw/zinc/22/90/15/557229015.db2.gz	PPCXJLMQYBQGBN-PKTZIBPZSA-N	2	0	445.585	1.169	40	0		IDABRP
COc1cc(C[N@H+](C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCC[NH+](C)C	ZINC000585270629	568617246	/nfs/dbraw/zinc/61/72/46/568617246.db2.gz	AKBZUBILDSJUIO-HSZRJFAPSA-N	2	0	429.565	1.807	40	0		IDABRP
C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1	ZINC000585272982	568618163	/nfs/dbraw/zinc/61/81/63/568618163.db2.gz	OAUZMTGNNUMPKY-XMMPIXPASA-N	3	0	426.561	1.866	40	0		IDABRP
C[NH+](C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1	ZINC000019699888	569230857	/nfs/dbraw/zinc/23/08/57/569230857.db2.gz	YDGICRNGRWYLLN-LJQANCHMSA-N	2	0	427.549	1.126	40	0		IDABRP
CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCC[NH+](C)C)c(OC)c3)C2)ncn1	ZINC000257228282	556708947	/nfs/dbraw/zinc/70/89/47/556708947.db2.gz	FTHHOYOBVMSAAW-QHCPKHFHSA-N	2	0	444.580	1.588	40	0		IDABRP
CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@H+](C[C@H]3CCOC3)C[C@H]2C1=O	ZINC000019526395	556784496	/nfs/dbraw/zinc/78/44/96/556784496.db2.gz	QSWFTKBHJKEMNY-WWEVIYMKSA-N	2	0	428.577	1.832	40	0		IDABRP
C[C@@H]1CN(CCCc2nnc(CCCN3C[C@H](C)[NH2+][C@@H](C)C3)n2-n2cccc2)C[C@H](C)[NH2+]1	ZINC000225153477	557693016	/nfs/dbraw/zinc/69/30/16/557693016.db2.gz	ZKUCFLTXOFGCFM-MYGLTJDJSA-N	2	0	442.656	1.621	40	0		IDABRP
COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCC[NH+](C)C	ZINC000585272968	568618123	/nfs/dbraw/zinc/61/81/23/568618123.db2.gz	NURBJADFASCLEZ-QHCPKHFHSA-N	3	0	444.580	1.223	40	0		IDABRP
COc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCC[NH+](C)C	ZINC000585272965	568618171	/nfs/dbraw/zinc/61/81/71/568618171.db2.gz	NURBJADFASCLEZ-HSZRJFAPSA-N	3	0	444.580	1.223	40	0		IDABRP
Cc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)ncn1	ZINC000257214872	568671922	/nfs/dbraw/zinc/67/19/22/568671922.db2.gz	CNUWYRHBJKLWOB-HSZRJFAPSA-N	2	0	425.533	1.631	40	0		IDABRP
Cc1cc(N2CC[C@](O)(CNC(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)ncn1	ZINC000257214873	568672007	/nfs/dbraw/zinc/67/20/07/568672007.db2.gz	CNUWYRHBJKLWOB-QHCPKHFHSA-N	2	0	425.533	1.631	40	0		IDABRP
COc1cc(C[NH2+]C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCC[NH+](C)C	ZINC000585270661	568617226	/nfs/dbraw/zinc/61/72/26/568617226.db2.gz	ALYBLGBFJZTLPF-QHCPKHFHSA-N	2	0	429.565	1.855	40	0		IDABRP
COc1cc(C[N@@H+]2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCCC[NH+](C)C	ZINC000585270970	568617715	/nfs/dbraw/zinc/61/77/15/568617715.db2.gz	CRWAQDXJVDLIGS-DEOSSOPVSA-N	2	0	448.608	1.127	40	0		IDABRP
CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCC[NH+](C)C)c(OC)c3)C2)ncn1	ZINC000257228281	556709022	/nfs/dbraw/zinc/70/90/22/556709022.db2.gz	FTHHOYOBVMSAAW-HSZRJFAPSA-N	2	0	444.580	1.588	40	0		IDABRP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C[NH+]3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257268897	556713385	/nfs/dbraw/zinc/71/33/85/556713385.db2.gz	MNRVHBSYSBPWSH-LSQMVHIFSA-N	2	0	428.621	1.687	40	0		IDABRP
COc1cc(C[N@H+](C)C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OCC[NH+](C)C	ZINC000585271989	557216194	/nfs/dbraw/zinc/21/61/94/557216194.db2.gz	HXHGPOYEEZGKRT-HSZRJFAPSA-N	2	0	429.565	1.889	40	0		IDABRP
C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1	ZINC000585272981	568618073	/nfs/dbraw/zinc/61/80/73/568618073.db2.gz	OAUZMTGNNUMPKY-DEOSSOPVSA-N	3	0	426.561	1.866	40	0		IDABRP
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C)CC3=O)CC1	ZINC000253394161	569208536	/nfs/dbraw/zinc/20/85/36/569208536.db2.gz	AMTSOTWOSGAOHR-HJIDZEHQSA-N	2	0	440.588	1.696	40	0		IDABRP
Cc1ccc([C@@H]2C[N@H+](CC(=O)N3CCN(CC[NH+](C)C)CC3)C[C@H]2c2csnn2)cc1	ZINC000019211994	556709747	/nfs/dbraw/zinc/70/97/47/556709747.db2.gz	KJTFAYBYPBOCSG-LEWJYISDSA-N	2	0	442.633	1.735	40	0		IDABRP
COc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585271495	557213512	/nfs/dbraw/zinc/21/35/12/557213512.db2.gz	FUPLBKPDKFKCEE-QHCPKHFHSA-N	2	0	429.565	1.889	40	0		IDABRP
COc1cc(C[N@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OCC[NH+](C)C	ZINC000585271990	557216291	/nfs/dbraw/zinc/21/62/91/557216291.db2.gz	HXHGPOYEEZGKRT-QHCPKHFHSA-N	2	0	429.565	1.889	40	0		IDABRP
C[C@@H]1CN(CCCc2nnc(CCCN3C[C@@H](C)[NH2+][C@@H](C)C3)n2-n2cccc2)C[C@@H](C)[NH2+]1	ZINC000225153366	557692991	/nfs/dbraw/zinc/69/29/91/557692991.db2.gz	ZKUCFLTXOFGCFM-YSFYHYPLSA-N	2	0	442.656	1.621	40	0		IDABRP
CN(C[C@]1(O)CCN(c2cccc3nccn32)C1)C(=O)c1ccc(OCC[NH+](C)C)cc1	ZINC000257230415	568679125	/nfs/dbraw/zinc/67/91/25/568679125.db2.gz	GCFFXPUDVOTGGO-XMMPIXPASA-N	2	0	437.544	1.988	40	0		IDABRP
C[NH+](C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000306141562	568772244	/nfs/dbraw/zinc/77/22/44/568772244.db2.gz	WAOHBMSGQUCRSX-UHFFFAOYSA-N	2	0	440.548	1.527	40	0		IDABRP
O[C@H](C[NH2+]Cc1ccccn1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccn2)cc1	ZINC000013081229	556832632	/nfs/dbraw/zinc/83/26/32/556832632.db2.gz	AINKPOUJTGSPRM-SZPZYZBQSA-N	2	0	438.528	1.536	40	0		IDABRP
CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291504	557228974	/nfs/dbraw/zinc/22/89/74/557228974.db2.gz	RCGIWHWMNCSXRP-PKTZIBPZSA-N	2	0	447.601	1.415	40	0		IDABRP
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)C[NH+](C)C)cc1	ZINC000585262274	568616360	/nfs/dbraw/zinc/61/63/60/568616360.db2.gz	QATKRCDRFVKLBC-HTDNTCHWSA-N	2	0	445.535	1.893	40	0		IDABRP
COc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCC[NH+](C)C	ZINC000585270639	568617336	/nfs/dbraw/zinc/61/73/36/568617336.db2.gz	AKBZUBILDSJUIO-QHCPKHFHSA-N	2	0	429.565	1.807	40	0		IDABRP
COc1cc(CN2CC[C@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585272950	568618028	/nfs/dbraw/zinc/61/80/28/568618028.db2.gz	NQJUURGHKSAUMJ-DEOSSOPVSA-N	3	0	448.608	1.173	40	0		IDABRP
C[NH2+]CCOc1cccc(C(=O)N2C[C@]3(NC(C)=O)CC[NH2+]C[C@@H]3[C@H]2c2ccccc2)c1	ZINC000257231996	568680105	/nfs/dbraw/zinc/68/01/05/568680105.db2.gz	GIXZPFFESGSMPN-VDKIKQQVSA-N	2	0	436.556	1.966	40	0		IDABRP
C[NH2+][C@H]1CC2(CCN(C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)CC2)OC[C@]1(C)O	ZINC000257331354	568724928	/nfs/dbraw/zinc/72/49/28/568724928.db2.gz	XSMQJLKEYXOJFB-GMAHTHKFSA-N	2	0	431.577	1.895	40	0		IDABRP
CN1CCn2c(C(=O)NCC[NH+]3CCCC3)nnc2C12CC[NH+](Cc1ccccc1)CC2	ZINC000306137752	568770119	/nfs/dbraw/zinc/77/01/19/568770119.db2.gz	RFAZLLSQHPLTFG-UHFFFAOYSA-N	2	0	437.592	1.540	40	0		IDABRP
C[NH+](C)CCn1ccc(-c2nc(C(=O)NCCCN3CC[NH+](C)CC3)c3ccccn32)c1	ZINC000306140898	568771862	/nfs/dbraw/zinc/77/18/62/568771862.db2.gz	VGJGXJRZHFEYGB-UHFFFAOYSA-N	2	0	437.592	1.732	40	0		IDABRP
C[NH+](C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1	ZINC000019699641	569230759	/nfs/dbraw/zinc/23/07/59/569230759.db2.gz	PNWFMWYIWUHJBM-FQEVSTJZSA-N	2	0	441.576	1.168	40	0		IDABRP
COc1cc(C[NH2+]C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OCCC[NH+](C)C	ZINC000257204221	556701569	/nfs/dbraw/zinc/70/15/69/556701569.db2.gz	ATPFEYLNMLBXBG-QHCPKHFHSA-N	2	0	429.565	1.937	40	0		IDABRP
CN(C)c1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)ncn1	ZINC000257310666	556718429	/nfs/dbraw/zinc/71/84/29/556718429.db2.gz	UGAQYVHUZKMQAI-HSZRJFAPSA-N	2	0	428.581	1.556	40	0		IDABRP
COc1cc(C[N@H+](C)C[C@]2(O)CCN(c3ncccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585271493	557213427	/nfs/dbraw/zinc/21/34/27/557213427.db2.gz	FUPLBKPDKFKCEE-HSZRJFAPSA-N	2	0	429.565	1.889	40	0		IDABRP
COc1cc(C[N@@H+]2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCCC[NH+](C)C	ZINC000585270981	568617529	/nfs/dbraw/zinc/61/75/29/568617529.db2.gz	CRWAQDXJVDLIGS-XMMPIXPASA-N	2	0	448.608	1.127	40	0		IDABRP
CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@H]([NH3+])C(C)C)C[C@H]2C1=O	ZINC000019526385	556784539	/nfs/dbraw/zinc/78/45/39/556784539.db2.gz	HBFCHQDWPMWDPY-NRYAXDJKSA-N	2	0	443.592	1.305	40	0		IDABRP
CC(=O)N1CCN([C@H]2C[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C[C@@H]2O)CC1	ZINC000585271488	557213524	/nfs/dbraw/zinc/21/35/24/557213524.db2.gz	FTYWIZYRNYXFHX-ZEQRLZLVSA-N	2	0	430.593	1.261	40	0		IDABRP
C[NH2+]CCOc1cccc(C(=O)N2CC[C@@]3(NC(C)=O)C[NH2+][C@H](c4ccccc4)[C@H]3C2)c1	ZINC000257316027	568717855	/nfs/dbraw/zinc/71/78/55/568717855.db2.gz	VDVBJWMFDXOXJI-VDKIKQQVSA-N	2	0	436.556	1.966	40	0		IDABRP
C[NH+](C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1	ZINC000019699640	569230744	/nfs/dbraw/zinc/23/07/44/569230744.db2.gz	PNWFMWYIWUHJBM-HXUWFJFHSA-N	2	0	441.576	1.168	40	0		IDABRP
CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]2C1=O	ZINC000019526384	556784490	/nfs/dbraw/zinc/78/44/90/556784490.db2.gz	HBFCHQDWPMWDPY-WXVUKLJWSA-N	2	0	443.592	1.305	40	0		IDABRP
COc1cc(C[NH2+]C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCC[NH+](C)C	ZINC000585270659	568617239	/nfs/dbraw/zinc/61/72/39/568617239.db2.gz	ALYBLGBFJZTLPF-HSZRJFAPSA-N	2	0	429.565	1.855	40	0		IDABRP
COc1cc(CN2CC[C@@](O)(C[NH+]3CCC(NC(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585272954	568618115	/nfs/dbraw/zinc/61/81/15/568618115.db2.gz	NQJUURGHKSAUMJ-XMMPIXPASA-N	3	0	448.608	1.173	40	0		IDABRP
CN(C[C@@]1(O)CCN(c2cccc3nccn32)C1)C(=O)c1ccc(OCC[NH+](C)C)cc1	ZINC000257230414	568679119	/nfs/dbraw/zinc/67/91/19/568679119.db2.gz	GCFFXPUDVOTGGO-DEOSSOPVSA-N	2	0	437.544	1.988	40	0		IDABRP
COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CC[NH3+])cc1	ZINC000257256977	568691920	/nfs/dbraw/zinc/69/19/20/568691920.db2.gz	KNPGZPOXCMUHGO-SCPDWHHUSA-N	2	0	431.508	1.681	40	0		IDABRP
C[NH+](C)CC(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1	ZINC000019699327	569230427	/nfs/dbraw/zinc/23/04/27/569230427.db2.gz	SJTIBBRVGMFFDE-UHFFFAOYSA-N	2	0	441.576	1.168	40	0		IDABRP
NNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NN)cc3)cc2)cc1	ZINC000004758069	556010107	/nfs/dbraw/zinc/01/01/07/556010107.db2.gz	FLHJZPSOVIVJJY-UHFFFAOYSA-N	2	0	430.472	1.769	40	0		IDABRP
Cc1cc(SCC(=O)NCCC[NH+](C)C)nc(SCC(=O)NCCC[NH+](C)C)n1	ZINC000016283852	556597004	/nfs/dbraw/zinc/59/70/04/556597004.db2.gz	OXBMPQWTCNZMMT-UHFFFAOYSA-N	2	0	442.655	1.105	40	0		IDABRP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CC[NH2+]CC3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257308398	556718186	/nfs/dbraw/zinc/71/81/86/556718186.db2.gz	TWPDCTZXKNBIKR-LSQMVHIFSA-N	2	0	428.621	1.591	40	0		IDABRP
O[C@@H](C[NH2+]Cc1ccccn1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccn2)cc1	ZINC000006475564	556832641	/nfs/dbraw/zinc/83/26/41/556832641.db2.gz	AINKPOUJTGSPRM-VXKWHMMOSA-N	2	0	438.528	1.536	40	0		IDABRP
CN1CCN(C(=O)C[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]2Oc2ccccc2)CC1	ZINC000257236654	568682205	/nfs/dbraw/zinc/68/22/05/568682205.db2.gz	HDCLEVYRYSIVIR-UNMCSNQZSA-N	2	0	428.577	1.542	40	0		IDABRP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)[C@H]3CCC[N@H+](C)C3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257277216	568700825	/nfs/dbraw/zinc/70/08/25/568700825.db2.gz	NWXNCKHJLZEZIC-KYFHRZRWSA-N	2	0	442.648	1.933	40	0		IDABRP
C[NH+](C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1	ZINC000019699889	569230840	/nfs/dbraw/zinc/23/08/40/569230840.db2.gz	YDGICRNGRWYLLN-IBGZPJMESA-N	2	0	427.549	1.126	40	0		IDABRP