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+]1CCC(N(C)C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)CC1	ZINC000218724938	206373240	/nfs/dbraw/zinc/37/32/40/206373240.db2.gz	MOFFBNGASCNJNI-UHFFFAOYSA-N	1	0	362.470	2.392	50	70		FEIARO
c1cc(OCCCN2CCOCC2)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1	ZINC000217364717	206363252	/nfs/dbraw/zinc/36/32/52/206363252.db2.gz	OHSFEWAYJOMLFV-NRFANRHFSA-N	1	0	373.541	2.458	50	70		FEIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2	ZINC000218462374	206370541	/nfs/dbraw/zinc/37/05/41/206370541.db2.gz	YCLNEUWGMGCQER-CQSZACIVSA-N	1	0	354.454	2.398	50	70		FEIARO
O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1OCCc2ccccc21	ZINC000159723043	326940236	/nfs/dbraw/zinc/94/02/36/326940236.db2.gz	KKSWXYYVUBBPEF-LJQANCHMSA-N	1	0	358.482	2.452	50	70		FEIARO
CCc1oc(C(=O)N[C@@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)cc1C[NH+]1CCCC1	ZINC000218158934	522993404	/nfs/dbraw/zinc/99/34/04/522993404.db2.gz	JIQBICUQIMJCKX-QXGSTGNESA-N	1	0	362.470	2.218	50	70		FEIARO
CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2ccnc(N)n2)CC1	ZINC000217726685	206365598	/nfs/dbraw/zinc/36/55/98/206365598.db2.gz	NCMRKQHCJKIHNU-LJQANCHMSA-N	1	0	365.481	2.212	50	70		FEIARO
COc1cccc(-c2cccc(C(=O)N3C[C@H]([NH+](C)C)C[C@H]3CO)c2)c1	ZINC000218187168	206368551	/nfs/dbraw/zinc/36/85/51/206368551.db2.gz	FMUCMKANUOQJSF-MOPGFXCFSA-N	1	0	354.450	2.499	50	70		FEIARO
C[N@@H+]1CCCN(CC(=O)NCc2nc(-c3ccc(F)cc3)cs2)CC1	ZINC000218277170	523808327	/nfs/dbraw/zinc/80/83/27/523808327.db2.gz	KVKPFOOSGOHKHC-UHFFFAOYSA-N	1	0	362.474	2.203	50	70		FEIARO
Cc1cccc(=O)n1CCCNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1	ZINC000217883364	524156414	/nfs/dbraw/zinc/15/64/14/524156414.db2.gz	AIKCEZRHBCBRPY-LJQANCHMSA-N	1	0	353.466	2.153	50	70		FEIARO
Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(C(=O)c3ccc(Cl)cc3)CC1)CC2	ZINC000160505197	546046640	/nfs/dbraw/zinc/04/66/40/546046640.db2.gz	UAJUQKFMZYTVKV-QGZVFWFLSA-N	1	0	373.888	2.449	50	70		FEIARO
CCN(C)c1ccnc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)n1	ZINC000217561069	520290282	/nfs/dbraw/zinc/29/02/82/520290282.db2.gz	ZVJNGFKUDPNWEZ-MRXNPFEDSA-N	1	0	357.506	2.075	50	70		FEIARO
CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([NH3+])C2)cc1OCC	ZINC000160202431	546016608	/nfs/dbraw/zinc/01/66/08/546016608.db2.gz	NKNKMEIGUTZTEE-GFCCVEGCSA-N	1	0	371.275	2.349	50	70		FEIARO
CN(C)c1ccc(CCC(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1	ZINC000217131816	206363242	/nfs/dbraw/zinc/36/32/42/206363242.db2.gz	GDWBDPYPYVGUKE-FQEVSTJZSA-N	1	0	359.514	2.399	50	70		FEIARO
CCn1c(CNC2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@@H]([NH3+])C1	ZINC000218456582	206370760	/nfs/dbraw/zinc/37/07/60/206370760.db2.gz	HXMCCQDVPZAQBE-JCNLHEQBSA-N	1	0	355.486	2.298	50	70		FEIARO
CNc1cc(C)[nH+]c(N2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1	ZINC000217891155	132272827	/nfs/dbraw/zinc/27/28/27/132272827.db2.gz	QJHQXPFWVRIMDA-GOSISDBHSA-N	1	0	350.426	2.125	50	70		FEIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000217824974	526515586	/nfs/dbraw/zinc/51/55/86/526515586.db2.gz	MNDPSUHKETTYPN-XYJFISCASA-N	1	0	359.470	2.009	50	70		FEIARO
CN1CC[N@H+](C)C[C@@H]1CNc1cc(-c2ccccc2F)nc2ccnn21	ZINC000216846078	206361526	/nfs/dbraw/zinc/36/15/26/206361526.db2.gz	FGLZCJVOPQXNSW-AWEZNQCLSA-N	1	0	354.433	2.193	50	70		FEIARO
CN1CC[N@H+](C)[C@@H](CC(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)C1	ZINC000217387767	523884403	/nfs/dbraw/zinc/88/44/03/523884403.db2.gz	RFYOCGSBDKRRAN-FQEVSTJZSA-N	1	0	370.472	2.385	50	70		FEIARO
Nc1nc(NCc2cnn(-c3ccc(F)cc3)c2)cc(C2CC([NH3+])C2)n1	ZINC000218340532	527555990	/nfs/dbraw/zinc/55/59/90/527555990.db2.gz	WRPFTZXXKMOQEW-UHFFFAOYSA-N	1	0	353.405	2.200	50	70		FEIARO
Nc1nnc(CCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1	ZINC000218645179	206372664	/nfs/dbraw/zinc/37/26/64/206372664.db2.gz	RUXTZAZXBZMBTK-OAHLLOKOSA-N	1	0	359.499	2.224	50	70		FEIARO
C[NH+]1CCN(c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2)CC1	ZINC000218424447	132273169	/nfs/dbraw/zinc/27/31/69/132273169.db2.gz	PGMAKFYVHPCDTD-RXVVDRJESA-N	1	0	357.498	2.206	50	70		FEIARO
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1OCCN1CCOCC1)C2	ZINC000217509101	522107234	/nfs/dbraw/zinc/10/72/34/522107234.db2.gz	JHOKITPHPUYLKU-XVAYZXCPSA-N	1	0	373.541	2.170	50	70		FEIARO
COc1ccc(C2(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1	ZINC000218570329	523866981	/nfs/dbraw/zinc/86/69/81/523866981.db2.gz	ZUMGSMLQTPJUPB-IBGZPJMESA-N	1	0	358.482	2.486	50	70		FEIARO
Cc1cccc(N2CC[NH+](CCC(=O)NCCc3ccncc3)CC2)c1	ZINC000217875373	524554056	/nfs/dbraw/zinc/55/40/56/524554056.db2.gz	RHTDRHBHMKJGDL-UHFFFAOYSA-N	1	0	352.482	2.261	50	70		FEIARO
O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC[C@]2(CNC(=O)O2)CC1	ZINC000217149410	548680631	/nfs/dbraw/zinc/68/06/31/548680631.db2.gz	HBZHONHDONPDKA-OAQYLSRUSA-N	1	0	371.481	2.357	50	70		FEIARO
CC[C@]1(C(N)=O)CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1	ZINC000217792427	548683233	/nfs/dbraw/zinc/68/32/33/548683233.db2.gz	CFRJNTANSGNYIE-FQEVSTJZSA-N	1	0	357.498	2.154	50	70		FEIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000217824888	526515363	/nfs/dbraw/zinc/51/53/63/526515363.db2.gz	MNDPSUHKETTYPN-LZLYRXPVSA-N	1	0	359.470	2.009	50	70		FEIARO
O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[NH2+]CC1	ZINC000160843450	546077703	/nfs/dbraw/zinc/07/77/03/546077703.db2.gz	JSEATNHUMHNWRY-UHFFFAOYSA-N	1	0	350.772	2.378	50	70		FEIARO
Cc1ccc2oc(N3CCCn4nc([C@@H](O)C[NH+](C)C)cc4C3)nc2c1	ZINC000217993882	548683428	/nfs/dbraw/zinc/68/34/28/548683428.db2.gz	ORGYBHKVSCDPFH-KRWDZBQOSA-N	1	0	355.442	2.338	50	70		FEIARO
CN(Cc1c[nH]nc1-c1ccc(F)cc1)c1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218638825	548689142	/nfs/dbraw/zinc/68/91/42/548689142.db2.gz	WHCXIHQHLFJBOO-UHFFFAOYSA-N	1	0	367.432	2.429	50	70		FEIARO
CC[NH+]1CCN(Cc2nc(C(C)C)nn2Cc2ccc3c(c2)OCO3)CC1	ZINC000217575448	521689784	/nfs/dbraw/zinc/68/97/84/521689784.db2.gz	NRNIHGRFKISSAJ-UHFFFAOYSA-N	1	0	371.485	2.316	50	70		FEIARO
O=C(COc1ccc2c(c1)NC(=O)CC2)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217804937	548683531	/nfs/dbraw/zinc/68/35/31/548683531.db2.gz	DIVIUWFPFKCEBK-QFBILLFUSA-N	1	0	371.481	2.331	50	70		FEIARO
O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(SCCO)cc1	ZINC000218507633	527529129	/nfs/dbraw/zinc/52/91/29/527529129.db2.gz	FNYVFWAYSWKTOQ-KRWDZBQOSA-N	1	0	364.511	2.144	50	70		FEIARO
CC[C@@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2	ZINC000216926982	548678922	/nfs/dbraw/zinc/67/89/22/548678922.db2.gz	RAXUTHQXMQRYDC-QGZVFWFLSA-N	1	0	356.426	2.140	50	70		FEIARO
COc1cccc2c1OCCCN(c1cc(C3CC(O)C3)[nH+]c(N)n1)C2	ZINC000218060396	548684933	/nfs/dbraw/zinc/68/49/33/548684933.db2.gz	KQIZALABJZPQQY-UHFFFAOYSA-N	1	0	356.426	2.095	50	70		FEIARO
O=C(CC[NH+]1Cc2ccccc2C1)N[C@@H](Cc1ccncc1)C1CC(O)C1	ZINC000218610294	209669608	/nfs/dbraw/zinc/66/96/08/209669608.db2.gz	FETUKWCYQGXNIC-CBNMVNINSA-N	1	0	365.477	2.286	50	70		FEIARO
COC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)CC1	ZINC000217790604	548684238	/nfs/dbraw/zinc/68/42/38/548684238.db2.gz	NYOMNDDJPLXDNX-UHFFFAOYSA-N	1	0	370.490	2.398	50	70		FEIARO
CN(C)c1ccc(CCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000218232989	522161048	/nfs/dbraw/zinc/16/10/48/522161048.db2.gz	KWEGVYYHMODELI-HXUWFJFHSA-N	1	0	359.514	2.445	50	70		FEIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000217648494	548682361	/nfs/dbraw/zinc/68/23/61/548682361.db2.gz	QCVZJYLFZYHJSR-JENIJYKNSA-N	1	0	355.482	2.420	50	70		FEIARO
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)C2	ZINC000217449529	525852339	/nfs/dbraw/zinc/85/23/39/525852339.db2.gz	NFAFUVPUMZIPDK-AWEZNQCLSA-N	1	0	358.442	2.171	50	70		FEIARO
CC(C)c1nc(-c2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)cc2)no1	ZINC000218421575	548686477	/nfs/dbraw/zinc/68/64/77/548686477.db2.gz	LCMNXWOWGHNYBI-YYIAUSFCSA-N	1	0	370.453	2.307	50	70		FEIARO
C[C@@H](CCC(=O)N(C)Cc1cc(-c2ccncc2)no1)[NH+]1CCOCC1	ZINC000218029741	524439039	/nfs/dbraw/zinc/43/90/39/524439039.db2.gz	RNCBGLPJZLHBKD-HNNXBMFYSA-N	1	0	358.442	2.196	50	70		FEIARO
Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1ccccc1C[NH+](C)C	ZINC000218563188	525305195	/nfs/dbraw/zinc/30/51/95/525305195.db2.gz	PDOIEIXTOLMZSF-LJQANCHMSA-N	1	0	356.466	2.455	50	70		FEIARO
Cc1cc(C)cc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)c1	ZINC000218651515	132273305	/nfs/dbraw/zinc/27/33/05/132273305.db2.gz	KCDZMIFJPDDSCE-UHFFFAOYSA-N	1	0	352.486	2.207	50	70		FEIARO
Cc1cc(C)nc(NCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000218311673	524588721	/nfs/dbraw/zinc/58/87/21/524588721.db2.gz	LXFBBXAAFDKKLC-UHFFFAOYSA-N	1	0	353.470	2.286	50	70		FEIARO
Cc1cc(C(F)(F)F)nc(CCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(N)n2)n1	ZINC000218167228	524205513	/nfs/dbraw/zinc/20/55/13/524205513.db2.gz	ULSQCZXGCGELNB-AOOOYVTPSA-N	1	0	367.379	2.035	50	70		FEIARO
CC[NH+]1CCN(CC(=O)N[C@@H](c2ccncc2)c2ccc(C)cc2)CC1	ZINC000217785676	521675704	/nfs/dbraw/zinc/67/57/04/521675704.db2.gz	SROXCNWVFXHXRH-OAQYLSRUSA-N	1	0	352.482	2.233	50	70		FEIARO
C[C@H](CCC(=O)N(C)Cc1cc(-c2ccncc2)no1)[NH+]1CCOCC1	ZINC000218029825	524114835	/nfs/dbraw/zinc/11/48/35/524114835.db2.gz	RNCBGLPJZLHBKD-OAHLLOKOSA-N	1	0	358.442	2.196	50	70		FEIARO
O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217831759	526684501	/nfs/dbraw/zinc/68/45/01/526684501.db2.gz	BROSYYDBLSXQBO-QFBILLFUSA-N	1	0	368.481	2.167	50	70		FEIARO
O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC[C@@]2(CNC(=O)O2)CC1	ZINC000217149401	548679771	/nfs/dbraw/zinc/67/97/71/548679771.db2.gz	HBZHONHDONPDKA-NRFANRHFSA-N	1	0	371.481	2.357	50	70		FEIARO
[NH3+]C1CC(c2cc(N3CCN(Cc4cccnc4)CC3)nc(C3CC3)n2)C1	ZINC000218222753	527138323	/nfs/dbraw/zinc/13/83/23/527138323.db2.gz	CEKRUOXSNLFWBG-UHFFFAOYSA-N	1	0	364.497	2.276	50	70		FEIARO
Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1	ZINC000218031007	527294569	/nfs/dbraw/zinc/29/45/69/527294569.db2.gz	FOFBPZUPFAFCPN-WMQCIHAUSA-N	1	0	354.498	2.486	50	70		FEIARO
[NH3+][C@H]1C[C@@H](c2cc(NCc3ccccc3CN3CCCC3=O)ncn2)C1	ZINC000218562320	527419619	/nfs/dbraw/zinc/41/96/19/527419619.db2.gz	MKUJCXATZQPLOX-QAQDUYKDSA-N	1	0	351.454	2.416	50	70		FEIARO
O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(n2cnnc2)CC1	ZINC000217209316	548679844	/nfs/dbraw/zinc/67/98/44/548679844.db2.gz	GLIKBLYGYGTEGS-IBGZPJMESA-N	1	0	353.470	2.496	50	70		FEIARO
CO[C@@H]1CCOC[C@H]1[NH2+]C1CCN(c2ncc3ccc(F)cc3n2)CC1	ZINC000216920439	132272046	/nfs/dbraw/zinc/27/20/46/132272046.db2.gz	JYVXSBIDYGNWDT-QZTJIDSGSA-N	1	0	360.433	2.131	50	70		FEIARO
O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(Cl)o1	ZINC000217980141	548683892	/nfs/dbraw/zinc/68/38/92/548683892.db2.gz	BTTPNZSRNBTJMO-RPLTXICNSA-N	1	0	371.868	2.230	50	70		FEIARO
Cc1[nH]c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCC[NH+](C)C)cc2c1C	ZINC000218741824	548690496	/nfs/dbraw/zinc/69/04/96/548690496.db2.gz	BZIQYZROAXGREH-RTBURBONSA-N	1	0	359.470	2.250	50	70		FEIARO
Cn1cc([C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1	ZINC000218031072	527314278	/nfs/dbraw/zinc/31/42/78/527314278.db2.gz	FOFBPZUPFAFCPN-JRGCBEDISA-N	1	0	354.498	2.486	50	70		FEIARO
C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cnc2ccccc2c1=O	ZINC000217861931	548683398	/nfs/dbraw/zinc/68/33/98/548683398.db2.gz	ZUGYYDCHVLFMDE-TXPKVOOTSA-N	1	0	368.481	2.338	50	70		FEIARO
CN(C)c1ccc(CCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000218232903	522160567	/nfs/dbraw/zinc/16/05/67/522160567.db2.gz	KWEGVYYHMODELI-FQEVSTJZSA-N	1	0	359.514	2.445	50	70		FEIARO
O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccnn1C[C@H]1CCOC1	ZINC000159845620	545985178	/nfs/dbraw/zinc/98/51/78/545985178.db2.gz	VAQYETOGHQTQMY-MRXNPFEDSA-N	1	0	369.469	2.099	50	70		FEIARO
C[C@@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3ccccc3)CC1)C2	ZINC000216953131	548678852	/nfs/dbraw/zinc/67/88/52/548678852.db2.gz	UGHBDISAKDHYJP-OAHLLOKOSA-N	1	0	354.454	2.057	50	70		FEIARO
Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1ccccc1C[NH+](C)C	ZINC000218563263	525313243	/nfs/dbraw/zinc/31/32/43/525313243.db2.gz	PDOIEIXTOLMZSF-IBGZPJMESA-N	1	0	356.466	2.455	50	70		FEIARO
COC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)CC1	ZINC000217790490	548683510	/nfs/dbraw/zinc/68/35/10/548683510.db2.gz	WFPKVOYOSMGWFG-UHFFFAOYSA-N	1	0	370.490	2.398	50	70		FEIARO
CNc1cc(C)[nH+]c(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)n1	ZINC000217891077	132272909	/nfs/dbraw/zinc/27/29/09/132272909.db2.gz	QJHQXPFWVRIMDA-SFHVURJKSA-N	1	0	350.426	2.125	50	70		FEIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000217648410	548682493	/nfs/dbraw/zinc/68/24/93/548682493.db2.gz	QCVZJYLFZYHJSR-YQVWRLOYSA-N	1	0	355.482	2.420	50	70		FEIARO
C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cnc2ccccc2c1=O	ZINC000217862026	548683267	/nfs/dbraw/zinc/68/32/67/548683267.db2.gz	ZUGYYDCHVLFMDE-JTDSTZFVSA-N	1	0	368.481	2.338	50	70		FEIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1Cc1cc(OC)c(OC)cc1-2	ZINC000218561245	548688069	/nfs/dbraw/zinc/68/80/69/548688069.db2.gz	GKOIVPDQQHRBHI-ZDUSSCGKSA-N	1	0	370.453	2.212	50	70		FEIARO
CC[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000218612158	206371997	/nfs/dbraw/zinc/37/19/97/206371997.db2.gz	XFNZVSUFIFJVFB-AWEZNQCLSA-N	1	0	370.419	2.481	50	70		FEIARO
O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCNC(=O)CC1	ZINC000217417131	206363341	/nfs/dbraw/zinc/36/33/41/206363341.db2.gz	JWJQHOIBDNXCAU-UHFFFAOYSA-N	1	0	363.461	2.207	50	70		FEIARO
Cc1cc(=O)cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)o1	ZINC000217542195	206363848	/nfs/dbraw/zinc/36/38/48/206363848.db2.gz	SSEABPMEOVTLSW-UHFFFAOYSA-N	1	0	352.434	2.264	50	70		FEIARO
Cc1nn(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c(C)c1Cc1ccccc1	ZINC000218088498	206367042	/nfs/dbraw/zinc/36/70/42/206367042.db2.gz	RVOGFTVLGZNYPF-CALCHBBNSA-N	1	0	350.470	2.472	50	70		FEIARO
CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)cc1Cl	ZINC000218095386	206367544	/nfs/dbraw/zinc/36/75/44/206367544.db2.gz	XWBFVJBDPMRAMP-NVXWUHKLSA-N	1	0	370.877	2.204	50	70		FEIARO
C[NH+]1CCN(Cc2ccc(C(=O)NCCCc3ccncc3)cc2)CC1	ZINC000218252737	523908810	/nfs/dbraw/zinc/90/88/10/523908810.db2.gz	YAFOPYVGKHFKQG-UHFFFAOYSA-N	1	0	352.482	2.192	50	70		FEIARO
O=C(CC[NH+]1Cc2ccccc2C1)N[C@H](Cc1ccncc1)C1CC(O)C1	ZINC000218610381	206371844	/nfs/dbraw/zinc/37/18/44/206371844.db2.gz	FETUKWCYQGXNIC-XVAXZDLZSA-N	1	0	365.477	2.286	50	70		FEIARO
CCc1ccccc1N1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1	ZINC000218017990	132272649	/nfs/dbraw/zinc/27/26/49/132272649.db2.gz	JAPJOIFDYXIYDO-UHFFFAOYSA-N	1	0	352.486	2.153	50	70		FEIARO
COc1ccc(C2(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1	ZINC000218570410	523867297	/nfs/dbraw/zinc/86/72/97/523867297.db2.gz	ZUMGSMLQTPJUPB-LJQANCHMSA-N	1	0	358.482	2.486	50	70		FEIARO
CC[NH+](CC)Cc1cc(C(=O)NCc2nnnn2-c2ccccc2)c(C)o1	ZINC000218201642	520743141	/nfs/dbraw/zinc/74/31/41/520743141.db2.gz	YCCUEPLGCQIPOB-UHFFFAOYSA-N	1	0	368.441	2.336	50	70		FEIARO
Nc1nccc(C2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)CC2)n1	ZINC000217173848	548679919	/nfs/dbraw/zinc/67/99/19/548679919.db2.gz	HUDVTSULUGDSAO-MRXNPFEDSA-N	1	0	369.469	2.270	50	70		FEIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2	ZINC000218462469	206370077	/nfs/dbraw/zinc/37/00/77/206370077.db2.gz	YCLNEUWGMGCQER-AWEZNQCLSA-N	1	0	354.454	2.398	50	70		FEIARO
Nc1nccc(C2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)CC2)n1	ZINC000217173855	527566685	/nfs/dbraw/zinc/56/66/85/527566685.db2.gz	HUDVTSULUGDSAO-INIZCTEOSA-N	1	0	369.469	2.270	50	70		FEIARO
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160981653	546090349	/nfs/dbraw/zinc/09/03/49/546090349.db2.gz	TZKAGZCDBRECSO-OAHLLOKOSA-N	1	0	372.473	2.135	50	70		FEIARO
Cc1c[nH]nc1C1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1	ZINC000218734662	206373333	/nfs/dbraw/zinc/37/33/33/206373333.db2.gz	VKEVMTZEODARBT-GASCZTMLSA-N	1	0	355.490	2.229	50	70		FEIARO
C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F	ZINC000218694055	206373686	/nfs/dbraw/zinc/37/36/86/206373686.db2.gz	APAZDPOOWQCSCH-CVEARBPZSA-N	1	0	374.403	2.100	50	70		FEIARO
CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1	ZINC000217097512	206363126	/nfs/dbraw/zinc/36/31/26/206363126.db2.gz	ORQOYZQFMYFAAZ-LJQANCHMSA-N	1	0	370.541	2.386	50	70		FEIARO
CC[NH+]1CCN(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)CC1	ZINC000217785756	521676813	/nfs/dbraw/zinc/67/68/13/521676813.db2.gz	SROXCNWVFXHXRH-NRFANRHFSA-N	1	0	352.482	2.233	50	70		FEIARO
Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(Cl)cc3)CC1)CC2	ZINC000160505303	546047248	/nfs/dbraw/zinc/04/72/48/546047248.db2.gz	UAJUQKFMZYTVKV-KRWDZBQOSA-N	1	0	373.888	2.449	50	70		FEIARO
COC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1	ZINC000217791127	548683576	/nfs/dbraw/zinc/68/35/76/548683576.db2.gz	LJXCADZIAZYZBJ-UHFFFAOYSA-N	1	0	374.453	2.229	50	70		FEIARO
Cc1n[nH]c(C)c1CCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000217189306	526494576	/nfs/dbraw/zinc/49/45/76/526494576.db2.gz	ZKBSSVVNPZAGQK-UHFFFAOYSA-N	1	0	369.513	2.206	50	70		FEIARO
Cc1cc(N2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc[nH+]1	ZINC000218431546	525073725	/nfs/dbraw/zinc/07/37/25/525073725.db2.gz	CPRJWICFBDCXRC-UHFFFAOYSA-N	1	0	353.422	2.400	50	70		FEIARO
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)C2	ZINC000217449447	525864198	/nfs/dbraw/zinc/86/41/98/525864198.db2.gz	NFAFUVPUMZIPDK-CQSZACIVSA-N	1	0	358.442	2.171	50	70		FEIARO
O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(SCCO)cc1	ZINC000218507703	527529745	/nfs/dbraw/zinc/52/97/45/527529745.db2.gz	FNYVFWAYSWKTOQ-QGZVFWFLSA-N	1	0	364.511	2.144	50	70		FEIARO
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000160949984	546086384	/nfs/dbraw/zinc/08/63/84/546086384.db2.gz	TUVWKYLKQQNEEV-CQSZACIVSA-N	1	0	364.453	2.319	50	70		FEIARO
c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc(OCCN2CCOCC2)c1	ZINC000217106339	548680690	/nfs/dbraw/zinc/68/06/90/548680690.db2.gz	MWOUMVJHZMYYDA-FQEVSTJZSA-N	1	0	359.514	2.068	50	70		FEIARO
CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1	ZINC000218678166	132273390	/nfs/dbraw/zinc/27/33/90/132273390.db2.gz	DGZPOFPNNURNPJ-CIAFKFPVSA-N	1	0	355.526	2.451	50	70		FEIARO
O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1OCCc2ccccc21	ZINC000159722921	545975480	/nfs/dbraw/zinc/97/54/80/545975480.db2.gz	KKSWXYYVUBBPEF-IBGZPJMESA-N	1	0	358.482	2.452	50	70		FEIARO
CC[C@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2	ZINC000216927004	548678660	/nfs/dbraw/zinc/67/86/60/548678660.db2.gz	RAXUTHQXMQRYDC-KRWDZBQOSA-N	1	0	356.426	2.140	50	70		FEIARO
CN1CC[N@H+](C)[C@@H](CC(=O)N(CCCO)Cc2cccc3ccccc32)C1	ZINC000216924492	523885561	/nfs/dbraw/zinc/88/55/61/523885561.db2.gz	RMNCOQLCOFNWRR-FQEVSTJZSA-N	1	0	369.509	2.187	50	70		FEIARO
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000160949877	546086877	/nfs/dbraw/zinc/08/68/77/546086877.db2.gz	TUVWKYLKQQNEEV-AWEZNQCLSA-N	1	0	364.453	2.319	50	70		FEIARO
C[C@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3ccccc3)CC1)C2	ZINC000216953150	548679152	/nfs/dbraw/zinc/67/91/52/548679152.db2.gz	UGHBDISAKDHYJP-HNNXBMFYSA-N	1	0	354.454	2.057	50	70		FEIARO
C[NH+]1CCN(Cc2ccc(C(=O)N3CC(Oc4ccccc4)C3)cc2)CC1	ZINC000218472064	523909663	/nfs/dbraw/zinc/90/96/63/523909663.db2.gz	BFUPNFGDJUUEDL-UHFFFAOYSA-N	1	0	365.477	2.337	50	70		FEIARO
COc1cccc(SCC(=O)N2CCC([NH+]3CCOCC3)CC2)c1	ZINC000218267956	526243927	/nfs/dbraw/zinc/24/39/27/526243927.db2.gz	YYFSUPWSMWUVRU-UHFFFAOYSA-N	1	0	350.484	2.111	50	70		FEIARO
NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2[NH2+]C2Cc3ccccc3C2)cc1	ZINC000218660875	222685568	/nfs/dbraw/zinc/68/55/68/222685568.db2.gz	OTHHTFUVJVTHIF-WOJBJXKFSA-N	1	0	352.434	2.079	50	70		FEIARO
O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(n2cnnc2)CC1	ZINC000217209323	548680645	/nfs/dbraw/zinc/68/06/45/548680645.db2.gz	GLIKBLYGYGTEGS-LJQANCHMSA-N	1	0	353.470	2.496	50	70		FEIARO
CCOCCn1nc(C)cc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1	ZINC000218027868	548683691	/nfs/dbraw/zinc/68/36/91/548683691.db2.gz	HHRGHTSOTALAQW-UHFFFAOYSA-N	1	0	371.485	2.284	50	70		FEIARO
CN(C)c1ccc(CCC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)cc1	ZINC000217131825	548679996	/nfs/dbraw/zinc/67/99/96/548679996.db2.gz	GDWBDPYPYVGUKE-HXUWFJFHSA-N	1	0	359.514	2.399	50	70		FEIARO
CC[NH+](CC)Cc1cc(C(=O)N2CCCn3nc(CO)cc3C2)c(C)o1	ZINC000217970452	520743698	/nfs/dbraw/zinc/74/36/98/520743698.db2.gz	XIYOXEURDPZKDK-UHFFFAOYSA-N	1	0	360.458	2.165	50	70		FEIARO
O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217722630	210175637	/nfs/dbraw/zinc/17/56/37/210175637.db2.gz	HJNYMOMIINEGJR-QFBILLFUSA-N	1	0	355.482	2.413	50	70		FEIARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(c2ncccn2)CC1	ZINC000217718479	132374660	/nfs/dbraw/zinc/37/46/60/132374660.db2.gz	VKAZICGGDJNPHG-ZWKOTPCHSA-N	1	0	357.502	2.074	50	70		FEIARO
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1	ZINC000160981771	326984107	/nfs/dbraw/zinc/98/41/07/326984107.db2.gz	TZKAGZCDBRECSO-HNNXBMFYSA-N	1	0	372.473	2.135	50	70		FEIARO
CC(=O)NC1CCC([NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1	ZINC000161361740	546123435	/nfs/dbraw/zinc/12/34/35/546123435.db2.gz	ZGANKQZLBBXFLM-ATIQYGATSA-N	1	0	359.514	2.444	50	70		FEIARO
COCCn1c(CNCc2nc3ccccc3s2)nnc1[C@H]1C[C@@H]([NH3+])C1	ZINC000218290548	522066657	/nfs/dbraw/zinc/06/66/57/522066657.db2.gz	RZFCQFRTWRPAOH-JOCQHMNTSA-N	1	0	372.498	2.029	50	70		FEIARO
Cc1cccc(=O)n1CCCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1	ZINC000217883451	524155871	/nfs/dbraw/zinc/15/58/71/524155871.db2.gz	AIKCEZRHBCBRPY-IBGZPJMESA-N	1	0	353.466	2.153	50	70		FEIARO
O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCCn1ccccc1=O	ZINC000217525058	526729978	/nfs/dbraw/zinc/72/99/78/526729978.db2.gz	OYWYNQHRXIBRAG-UHFFFAOYSA-N	1	0	353.466	2.234	50	70		FEIARO
CC1CCN(C(=O)COc2ccccc2CN2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000216947846	548678604	/nfs/dbraw/zinc/67/86/04/548678604.db2.gz	XAYCMRRSNOURBX-SFHVURJKSA-N	1	0	359.514	2.460	50	70		FEIARO
O=C(CCc1ccc(F)cc1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1	ZINC000218314244	548686799	/nfs/dbraw/zinc/68/67/99/548686799.db2.gz	HBOIAVYVKYZUSL-ZWQIFLOQSA-N	1	0	350.409	2.265	50	70		FEIARO
CC[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1	ZINC000218612073	548688910	/nfs/dbraw/zinc/68/89/10/548688910.db2.gz	XFNZVSUFIFJVFB-CQSZACIVSA-N	1	0	370.419	2.481	50	70		FEIARO
CN(CC1(CO)CCOCC1)C(=O)C[NH+]1CCC(c2ccccc2)CC1	ZINC000218585899	522598501	/nfs/dbraw/zinc/59/85/01/522598501.db2.gz	KQAWURIZRNZJKU-UHFFFAOYSA-N	1	0	360.498	2.114	50	70		FEIARO
O=C(NCC[NH+]1CCC(O)CC1)c1ccccc1OCc1ccccc1	ZINC000218434044	526301368	/nfs/dbraw/zinc/30/13/68/526301368.db2.gz	GKXMOGHBQBAVGV-UHFFFAOYSA-N	1	0	354.450	2.452	50	70		FEIARO
CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1	ZINC000217097491	548679942	/nfs/dbraw/zinc/67/99/42/548679942.db2.gz	ORQOYZQFMYFAAZ-IBGZPJMESA-N	1	0	370.541	2.386	50	70		FEIARO
CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)c(CC)o1	ZINC000218294943	520332224	/nfs/dbraw/zinc/33/22/24/520332224.db2.gz	ZXLKKGTYQLAQEQ-CRAIPNDOSA-N	1	0	350.459	2.362	50	70		FEIARO
COC1CC[NH+](C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC1	ZINC000217756015	548683711	/nfs/dbraw/zinc/68/37/11/548683711.db2.gz	GXSCZPZTZUINFY-UHFFFAOYSA-N	1	0	354.454	2.345	50	70		FEIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1Cc1cc(OC)c(OC)cc1-2	ZINC000218561180	548687950	/nfs/dbraw/zinc/68/79/50/548687950.db2.gz	GKOIVPDQQHRBHI-CYBMUJFWSA-N	1	0	370.453	2.212	50	70		FEIARO
COc1ccccc1C1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1	ZINC000218645592	548689057	/nfs/dbraw/zinc/68/90/57/548689057.db2.gz	LWZOFEIFDCJUBM-IYBDPMFKSA-N	1	0	355.486	2.408	50	70		FEIARO
Cc1ccc(NCCCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)nc1	ZINC000218341236	525278643	/nfs/dbraw/zinc/27/86/43/525278643.db2.gz	ALPVMTOKFMPAAJ-UHFFFAOYSA-N	1	0	367.497	2.374	50	70		FEIARO
Cc1ccc2oc(N3CCCn4nc([C@H](O)C[NH+](C)C)cc4C3)nc2c1	ZINC000217993956	548683817	/nfs/dbraw/zinc/68/38/17/548683817.db2.gz	ORGYBHKVSCDPFH-QGZVFWFLSA-N	1	0	355.442	2.338	50	70		FEIARO
CC[C@@]1(C(N)=O)CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1	ZINC000217792358	548683209	/nfs/dbraw/zinc/68/32/09/548683209.db2.gz	CFRJNTANSGNYIE-HXUWFJFHSA-N	1	0	357.498	2.154	50	70		FEIARO
O=C(C[NH+]1CCCCCCC1)N[C@@H]1CCOC[C@H]1OCc1ccccn1	ZINC000218748738	548690147	/nfs/dbraw/zinc/69/01/47/548690147.db2.gz	BPAWCKLMHKIXKN-RTBURBONSA-N	1	0	361.486	2.138	50	70		FEIARO
COc1ccccc1OCCCN(C)c1cc(C2CC(O)C2)[nH+]c(N)n1	ZINC000218566082	524669450	/nfs/dbraw/zinc/66/94/50/524669450.db2.gz	ZFGIVKBLQRBPSY-UHFFFAOYSA-N	1	0	358.442	2.211	50	70		FEIARO
CCN(C)c1ccnc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)n1	ZINC000217566962	535765589	/nfs/dbraw/zinc/76/55/89/535765589.db2.gz	NAKRACRBSHIRIH-QGZVFWFLSA-N	1	0	371.533	2.465	50	70		FEIARO
CCc1oc(C(=O)N2CCn3nc(CO)cc3C2)cc1C[NH+](CC)CC	ZINC000217044709	548679933	/nfs/dbraw/zinc/67/99/33/548679933.db2.gz	BRYNTELAKCFNER-UHFFFAOYSA-N	1	0	360.458	2.029	50	70		FEIARO
Nc1nnc(CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1	ZINC000218645109	548689267	/nfs/dbraw/zinc/68/92/67/548689267.db2.gz	RUXTZAZXBZMBTK-HNNXBMFYSA-N	1	0	359.499	2.224	50	70		FEIARO
Nc1cc(=O)[nH]c(CCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)n1	ZINC000217995747	527458883	/nfs/dbraw/zinc/45/88/83/527458883.db2.gz	WOVYGSVYKRHRGF-UHFFFAOYSA-N	1	0	369.469	2.113	50	70		FEIARO
O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccnn1C[C@@H]1CCOC1	ZINC000159845485	545984935	/nfs/dbraw/zinc/98/49/35/545984935.db2.gz	VAQYETOGHQTQMY-INIZCTEOSA-N	1	0	369.469	2.099	50	70		FEIARO
CC(=O)NC1CCC([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1	ZINC000161361573	546123404	/nfs/dbraw/zinc/12/34/04/546123404.db2.gz	ZGANKQZLBBXFLM-YMTQGWHGSA-N	1	0	359.514	2.444	50	70		FEIARO
O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCc1nc(C2CC2)no1	ZINC000217079376	548679806	/nfs/dbraw/zinc/67/98/06/548679806.db2.gz	PZODYRDSYKYDED-UHFFFAOYSA-N	1	0	354.454	2.485	50	70		FEIARO